smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376913001 921746439 /nfs/dbraw/zinc/74/64/39/921746439.db2.gz UDVWYKSSTOVOCJ-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001377173263 921775180 /nfs/dbraw/zinc/77/51/80/921775180.db2.gz FKWSQOHCSSBCPR-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001377173263 921775195 /nfs/dbraw/zinc/77/51/95/921775195.db2.gz FKWSQOHCSSBCPR-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001377173270 921777850 /nfs/dbraw/zinc/77/78/50/921777850.db2.gz FKWSQOHCSSBCPR-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001377173270 921777857 /nfs/dbraw/zinc/77/78/57/921777857.db2.gz FKWSQOHCSSBCPR-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001377175183 921780780 /nfs/dbraw/zinc/78/07/80/921780780.db2.gz PDHQRWMLRBNGTI-OAHLLOKOSA-N 2 1 323.397 -1.119 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377257374 921795814 /nfs/dbraw/zinc/79/58/14/921795814.db2.gz HZLYZZPNEUPDMJ-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377257374 921795821 /nfs/dbraw/zinc/79/58/21/921795821.db2.gz HZLYZZPNEUPDMJ-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001316845406 916233985 /nfs/dbraw/zinc/23/39/85/916233985.db2.gz HVUWDYBZWGAKEN-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[C@H](C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1)[NH+](C)C ZINC001316961401 916244552 /nfs/dbraw/zinc/24/45/52/916244552.db2.gz IJVRALIBNTYSBE-CYBMUJFWSA-N 2 1 313.446 -1.064 20 0 DAADMP CC[C@@H](C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317466738 916300541 /nfs/dbraw/zinc/30/05/41/916300541.db2.gz DNDJMJMHNWYTTJ-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578066 916328853 /nfs/dbraw/zinc/32/88/53/916328853.db2.gz FEWPPFKAIKOLGU-LBPRGKRZSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578066 916328872 /nfs/dbraw/zinc/32/88/72/916328872.db2.gz FEWPPFKAIKOLGU-LBPRGKRZSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001320266151 916490196 /nfs/dbraw/zinc/49/01/96/916490196.db2.gz ZUBOGKZHTWGPDL-OLZOCXBDSA-N 2 1 310.402 -1.171 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001320315813 916505804 /nfs/dbraw/zinc/50/58/04/916505804.db2.gz VVQYDJKWIDNONG-NSHDSACASA-N 2 1 318.399 -1.697 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001320315791 916506079 /nfs/dbraw/zinc/50/60/79/916506079.db2.gz VVQYDJKWIDNONG-LLVKDONJSA-N 2 1 318.399 -1.697 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321122822 916548233 /nfs/dbraw/zinc/54/82/33/916548233.db2.gz ZXSKUGSORUJGOO-DLRQAJBASA-N 2 1 311.386 -1.072 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321122823 916549579 /nfs/dbraw/zinc/54/95/79/916549579.db2.gz ZXSKUGSORUJGOO-PGLGOXFNSA-N 2 1 311.386 -1.072 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001321294472 916560299 /nfs/dbraw/zinc/56/02/99/916560299.db2.gz PAEHCYHXOJJYCW-FYDYADQUSA-N 2 1 310.398 -1.141 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)C1 ZINC001321249147 916560343 /nfs/dbraw/zinc/56/03/43/916560343.db2.gz IZCCMVPMTZSFAP-QUCGXOGASA-N 2 1 311.386 -1.215 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442081 916637347 /nfs/dbraw/zinc/63/73/47/916637347.db2.gz IKSVGMKYEONHAS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001325087118 916814793 /nfs/dbraw/zinc/81/47/93/916814793.db2.gz SLJQGPMHTOFDEA-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001325087118 916814810 /nfs/dbraw/zinc/81/48/10/916814810.db2.gz SLJQGPMHTOFDEA-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001325087118 916814828 /nfs/dbraw/zinc/81/48/28/916814828.db2.gz SLJQGPMHTOFDEA-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001325087118 916814846 /nfs/dbraw/zinc/81/48/46/916814846.db2.gz SLJQGPMHTOFDEA-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001325087116 916815285 /nfs/dbraw/zinc/81/52/85/916815285.db2.gz SLJQGPMHTOFDEA-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001325087116 916815303 /nfs/dbraw/zinc/81/53/03/916815303.db2.gz SLJQGPMHTOFDEA-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001325087116 916815323 /nfs/dbraw/zinc/81/53/23/916815323.db2.gz SLJQGPMHTOFDEA-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001325087116 916815341 /nfs/dbraw/zinc/81/53/41/916815341.db2.gz SLJQGPMHTOFDEA-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001325997534 916881173 /nfs/dbraw/zinc/88/11/73/916881173.db2.gz RUMVLMRRPKQPEA-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001325997534 916881185 /nfs/dbraw/zinc/88/11/85/916881185.db2.gz RUMVLMRRPKQPEA-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326149508 916902895 /nfs/dbraw/zinc/90/28/95/916902895.db2.gz XTQPTUPTCMTHQU-LLVKDONJSA-N 2 1 302.375 -2.397 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326149508 916902904 /nfs/dbraw/zinc/90/29/04/916902904.db2.gz XTQPTUPTCMTHQU-LLVKDONJSA-N 2 1 302.375 -2.397 20 0 DAADMP COCCNC(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001326371581 916917762 /nfs/dbraw/zinc/91/77/62/916917762.db2.gz MTYFEIVDONNQTE-UHFFFAOYSA-N 2 1 313.446 -1.728 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1 ZINC001326801924 916958110 /nfs/dbraw/zinc/95/81/10/916958110.db2.gz LSAXOSDYZOTOHQ-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1 ZINC001326801924 916958123 /nfs/dbraw/zinc/95/81/23/916958123.db2.gz LSAXOSDYZOTOHQ-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326845633 916961998 /nfs/dbraw/zinc/96/19/98/916961998.db2.gz JNJALCLKJBBHBQ-FRRDWIJNSA-N 2 1 310.398 -1.620 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC001326877972 916964186 /nfs/dbraw/zinc/96/41/86/916964186.db2.gz XTRGWCUIMDVVMO-RVMXOQNASA-N 2 1 310.398 -1.541 20 0 DAADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327708557 917037041 /nfs/dbraw/zinc/03/70/41/917037041.db2.gz YSOXHUJVEAGNCV-QNWHQSFQSA-N 2 1 310.398 -1.541 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001328976089 917128193 /nfs/dbraw/zinc/12/81/93/917128193.db2.gz XOKWCCJNZPNSME-LBPRGKRZSA-N 2 1 315.418 -2.299 20 0 DAADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001329001922 917130504 /nfs/dbraw/zinc/13/05/04/917130504.db2.gz DMYSNJXSOBQBPW-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001329001920 917131057 /nfs/dbraw/zinc/13/10/57/917131057.db2.gz DMYSNJXSOBQBPW-AGIUHOORSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329437771 917167931 /nfs/dbraw/zinc/16/79/31/917167931.db2.gz MMZKCXUWKNGUGQ-LBPRGKRZSA-N 2 1 315.418 -2.218 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001329726920 917193690 /nfs/dbraw/zinc/19/36/90/917193690.db2.gz YQIIQXPPOVIDTF-LBPRGKRZSA-N 2 1 311.430 -1.406 20 0 DAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC001329925871 917212816 /nfs/dbraw/zinc/21/28/16/917212816.db2.gz OXVRBDUXXOKQTM-LLVKDONJSA-N 2 1 323.401 -1.446 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]2)CC1 ZINC001329973787 917218056 /nfs/dbraw/zinc/21/80/56/917218056.db2.gz PPZTWFBRXFNLLJ-QWHCGFSZSA-N 2 1 322.409 -1.382 20 0 DAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330025116 917224185 /nfs/dbraw/zinc/22/41/85/917224185.db2.gz WUNMOJNOOFUPIK-VXGBXAGGSA-N 2 1 310.398 -1.309 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001331168201 917282138 /nfs/dbraw/zinc/28/21/38/917282138.db2.gz QIGJNHHILZPIJQ-QNWHQSFQSA-N 2 1 310.398 -1.181 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331573123 917301624 /nfs/dbraw/zinc/30/16/24/917301624.db2.gz NVUBGUZLKGGYFI-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001332412133 917368353 /nfs/dbraw/zinc/36/83/53/917368353.db2.gz MUQMYRZSIFXRKI-XJKSGUPXSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001332412127 917369819 /nfs/dbraw/zinc/36/98/19/917369819.db2.gz MUQMYRZSIFXRKI-BBRMVZONSA-N 2 1 324.425 -1.005 20 0 DAADMP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001332603164 917391051 /nfs/dbraw/zinc/39/10/51/917391051.db2.gz VFUWMBHNOCWXCM-VXGBXAGGSA-N 2 1 321.443 -1.608 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOC)C1 ZINC001332605827 917395186 /nfs/dbraw/zinc/39/51/86/917395186.db2.gz LVJFSMGVHQZORW-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOC)C1 ZINC001332605827 917395208 /nfs/dbraw/zinc/39/52/08/917395208.db2.gz LVJFSMGVHQZORW-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001333178863 917428357 /nfs/dbraw/zinc/42/83/57/917428357.db2.gz PCAHPRNNDXFAPL-ZDUSSCGKSA-N 2 1 313.446 -1.016 20 0 DAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC001333376966 917439022 /nfs/dbraw/zinc/43/90/22/917439022.db2.gz FFIOKPLCALTTGC-OLZOCXBDSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001333532675 917447765 /nfs/dbraw/zinc/44/77/65/917447765.db2.gz SMTJSWBPGUBKSC-MQYJIDSJSA-N 2 1 309.414 -1.783 20 0 DAADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335205562 917529841 /nfs/dbraw/zinc/52/98/41/917529841.db2.gz VFPOQJIIVOSJQQ-CHWSQXEVSA-N 2 1 310.398 -1.620 20 0 DAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001335246721 917535715 /nfs/dbraw/zinc/53/57/15/917535715.db2.gz HHGFWCBFCHZXEM-UHFFFAOYSA-N 2 1 312.414 -1.101 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001335769808 917562119 /nfs/dbraw/zinc/56/21/19/917562119.db2.gz WMRYMBWDGBETJL-BLLLJJGKSA-N 2 1 324.425 -1.101 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336557446 917592269 /nfs/dbraw/zinc/59/22/69/917592269.db2.gz RCFJOLZFWYEWIC-MROQNXINSA-N 2 1 309.414 -1.643 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001340926941 917746658 /nfs/dbraw/zinc/74/66/58/917746658.db2.gz ATQGSGUKLSKQAB-QLFBSQMISA-N 2 1 307.442 -1.119 20 0 DAADMP COC[C@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C[NH2+]CCO1 ZINC001341395556 917757819 /nfs/dbraw/zinc/75/78/19/917757819.db2.gz UPPLVRSEKVUWQN-HNNXBMFYSA-N 2 1 314.430 -1.303 20 0 DAADMP [NH3+]CCNCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001341627278 917760762 /nfs/dbraw/zinc/76/07/62/917760762.db2.gz OYMTYCYFRZHYQX-UHFFFAOYSA-N 2 1 321.429 -1.347 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001345181765 917839312 /nfs/dbraw/zinc/83/93/12/917839312.db2.gz DIEUBZHDAPVGMK-RWMBFGLXSA-N 2 1 310.398 -1.404 20 0 DAADMP [NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001345957974 917864801 /nfs/dbraw/zinc/86/48/01/917864801.db2.gz FYQIMKTUIUGKCO-CHWSQXEVSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC001347074617 917908832 /nfs/dbraw/zinc/90/88/32/917908832.db2.gz BMTBMWHDULNINT-OLZOCXBDSA-N 2 1 311.430 -1.536 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC001347342676 917917369 /nfs/dbraw/zinc/91/73/69/917917369.db2.gz LXIDWZPHYPNLMN-MELADBBJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001347342676 917917382 /nfs/dbraw/zinc/91/73/82/917917382.db2.gz LXIDWZPHYPNLMN-MELADBBJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001347342676 917917389 /nfs/dbraw/zinc/91/73/89/917917389.db2.gz LXIDWZPHYPNLMN-MELADBBJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC001347342675 917917955 /nfs/dbraw/zinc/91/79/55/917917955.db2.gz LXIDWZPHYPNLMN-IHRRRGAJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001347342675 917917970 /nfs/dbraw/zinc/91/79/70/917917970.db2.gz LXIDWZPHYPNLMN-IHRRRGAJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001347342675 917917989 /nfs/dbraw/zinc/91/79/89/917917989.db2.gz LXIDWZPHYPNLMN-IHRRRGAJSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001348319226 917934930 /nfs/dbraw/zinc/93/49/30/917934930.db2.gz DNPURUYMBQLUSL-LBPRGKRZSA-N 2 1 313.446 -1.066 20 0 DAADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001349863339 918040745 /nfs/dbraw/zinc/04/07/45/918040745.db2.gz GBRNBSVWGRKLEP-FRRDWIJNSA-N 2 1 310.398 -1.668 20 0 DAADMP COCCOCC[N@@H+](C)CCC(=O)N1CCNCC[NH2+]CC1 ZINC001355016783 918196436 /nfs/dbraw/zinc/19/64/36/918196436.db2.gz VETLNGKMDVDSAK-UHFFFAOYSA-N 2 1 316.446 -1.007 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001356629853 918231146 /nfs/dbraw/zinc/23/11/46/918231146.db2.gz SRCHHTXNFYTQLD-CQSZACIVSA-N 2 1 312.462 -1.046 20 0 DAADMP CN1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+](C)CC1 ZINC001358444244 918322415 /nfs/dbraw/zinc/32/24/15/918322415.db2.gz JVCRECONMAZTDI-CYBMUJFWSA-N 2 1 323.441 -1.488 20 0 DAADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)CC1 ZINC001363852537 918896887 /nfs/dbraw/zinc/89/68/87/918896887.db2.gz OXOIEXBONUAJSM-HNNXBMFYSA-N 2 1 322.413 -1.073 20 0 DAADMP NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001365872120 919241907 /nfs/dbraw/zinc/24/19/07/919241907.db2.gz GZSYLPPAOYUNAV-ZDUSSCGKSA-N 2 1 324.425 -1.147 20 0 DAADMP NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001365872120 919241927 /nfs/dbraw/zinc/24/19/27/919241927.db2.gz GZSYLPPAOYUNAV-ZDUSSCGKSA-N 2 1 324.425 -1.147 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025817 919269500 /nfs/dbraw/zinc/26/95/00/919269500.db2.gz HHCYJMXNHXAHAS-WDEREUQCSA-N 2 1 311.386 -1.240 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366035343 919272979 /nfs/dbraw/zinc/27/29/79/919272979.db2.gz SINGYDGNSKVFOW-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366035343 919272990 /nfs/dbraw/zinc/27/29/90/919272990.db2.gz SINGYDGNSKVFOW-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366129912 919285673 /nfs/dbraw/zinc/28/56/73/919285673.db2.gz ZHEFVWICAZJXID-XWLWVQCSSA-N 2 1 311.386 -1.099 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366144556 919286289 /nfs/dbraw/zinc/28/62/89/919286289.db2.gz ZHEFVWICAZJXID-MMWGEVLESA-N 2 1 311.386 -1.099 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001366237178 919297201 /nfs/dbraw/zinc/29/72/01/919297201.db2.gz HJYXGIDPQKQGLO-PREPNJAASA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001366237178 919297214 /nfs/dbraw/zinc/29/72/14/919297214.db2.gz HJYXGIDPQKQGLO-PREPNJAASA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001366237178 919297227 /nfs/dbraw/zinc/29/72/27/919297227.db2.gz HJYXGIDPQKQGLO-PREPNJAASA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001366237178 919297239 /nfs/dbraw/zinc/29/72/39/919297239.db2.gz HJYXGIDPQKQGLO-PREPNJAASA-N 2 1 323.397 -1.290 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366338938 919314776 /nfs/dbraw/zinc/31/47/76/919314776.db2.gz BZDGEORLTAADNR-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001366576017 919349911 /nfs/dbraw/zinc/34/99/11/919349911.db2.gz UPUSRXHPTBSFQT-CYBMUJFWSA-N 2 1 322.413 -1.005 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001366576017 919349928 /nfs/dbraw/zinc/34/99/28/919349928.db2.gz UPUSRXHPTBSFQT-CYBMUJFWSA-N 2 1 322.413 -1.005 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366714911 919371741 /nfs/dbraw/zinc/37/17/41/919371741.db2.gz XUCKIWDDQSYDRZ-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366714911 919371759 /nfs/dbraw/zinc/37/17/59/919371759.db2.gz XUCKIWDDQSYDRZ-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001366714911 919371777 /nfs/dbraw/zinc/37/17/77/919371777.db2.gz XUCKIWDDQSYDRZ-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001366765117 919379848 /nfs/dbraw/zinc/37/98/48/919379848.db2.gz RXZOFUMQVGYLFX-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001366881099 919392251 /nfs/dbraw/zinc/39/22/51/919392251.db2.gz KAMHTNPEQMLZCO-CYBMUJFWSA-N 2 1 312.414 -1.026 20 0 DAADMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001366881099 919392269 /nfs/dbraw/zinc/39/22/69/919392269.db2.gz KAMHTNPEQMLZCO-CYBMUJFWSA-N 2 1 312.414 -1.026 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367276076 919448614 /nfs/dbraw/zinc/44/86/14/919448614.db2.gz DOOGVRMFBHWYOJ-NEPJUHHUSA-N 2 1 300.403 -1.076 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367401150 919464465 /nfs/dbraw/zinc/46/44/65/919464465.db2.gz DHXLJYROKRLCPF-SECBINFHSA-N 2 1 310.358 -1.177 20 0 DAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001367530084 919472216 /nfs/dbraw/zinc/47/22/16/919472216.db2.gz BNEUKLZUKSKZMP-UHFFFAOYSA-N 2 1 313.402 -1.087 20 0 DAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001367530084 919472232 /nfs/dbraw/zinc/47/22/32/919472232.db2.gz BNEUKLZUKSKZMP-UHFFFAOYSA-N 2 1 313.402 -1.087 20 0 DAADMP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367583437 919493908 /nfs/dbraw/zinc/49/39/08/919493908.db2.gz QILGTXLEMAPEDA-CHWSQXEVSA-N 2 1 310.402 -1.041 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593211 919505483 /nfs/dbraw/zinc/50/54/83/919505483.db2.gz JNJYCJCHYZPDOZ-NXEZZACHSA-N 2 1 315.374 -2.268 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593215 919505759 /nfs/dbraw/zinc/50/57/59/919505759.db2.gz JNJYCJCHYZPDOZ-UWVGGRQHSA-N 2 1 315.374 -2.268 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594840 919510093 /nfs/dbraw/zinc/51/00/93/919510093.db2.gz SMKUZAQNIQYHKJ-STQMWFEESA-N 2 1 312.414 -1.184 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367599599 919513286 /nfs/dbraw/zinc/51/32/86/919513286.db2.gz GRZCFIORCCMVAH-NSHDSACASA-N 2 1 311.390 -1.881 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367598233 919514005 /nfs/dbraw/zinc/51/40/05/919514005.db2.gz IUGQUKILSZBSNW-NWDGAFQWSA-N 2 1 309.370 -1.511 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001367598228 919514109 /nfs/dbraw/zinc/51/41/09/919514109.db2.gz IUGQUKILSZBSNW-NEPJUHHUSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367601263 919516990 /nfs/dbraw/zinc/51/69/90/919516990.db2.gz BARYPXDJXGETNA-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001367618126 919532033 /nfs/dbraw/zinc/53/20/33/919532033.db2.gz OSTDBUSTDOFBEH-LBPRGKRZSA-N 2 1 318.337 -1.567 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001367619518 919536033 /nfs/dbraw/zinc/53/60/33/919536033.db2.gz OJFVHVMMCNVSSA-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367627873 919540959 /nfs/dbraw/zinc/54/09/59/919540959.db2.gz WMNPFVRQZCUZNY-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001367761033 919570563 /nfs/dbraw/zinc/57/05/63/919570563.db2.gz LSCVAYBFJGPVSH-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001367775793 919571554 /nfs/dbraw/zinc/57/15/54/919571554.db2.gz POECMPFBCFDSEM-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001367775793 919571570 /nfs/dbraw/zinc/57/15/70/919571570.db2.gz POECMPFBCFDSEM-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001367988236 919600027 /nfs/dbraw/zinc/60/00/27/919600027.db2.gz AILGBAQVKFEROR-VXGBXAGGSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001367988236 919600038 /nfs/dbraw/zinc/60/00/38/919600038.db2.gz AILGBAQVKFEROR-VXGBXAGGSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001367991345 919601092 /nfs/dbraw/zinc/60/10/92/919601092.db2.gz NQLOWQFPFWMTDW-GFCCVEGCSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001367991345 919601099 /nfs/dbraw/zinc/60/10/99/919601099.db2.gz NQLOWQFPFWMTDW-GFCCVEGCSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368012676 919603684 /nfs/dbraw/zinc/60/36/84/919603684.db2.gz JSIHPGFZGBSILM-JTQLQIEISA-N 2 1 311.386 -1.096 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368047856 919606734 /nfs/dbraw/zinc/60/67/34/919606734.db2.gz OUADRQVTHLCHKF-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368047856 919606751 /nfs/dbraw/zinc/60/67/51/919606751.db2.gz OUADRQVTHLCHKF-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368047858 919607606 /nfs/dbraw/zinc/60/76/06/919607606.db2.gz OUADRQVTHLCHKF-VXGBXAGGSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368047858 919607619 /nfs/dbraw/zinc/60/76/19/919607619.db2.gz OUADRQVTHLCHKF-VXGBXAGGSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(NCc3nnnn3C)CC2)C1 ZINC001368043718 919609654 /nfs/dbraw/zinc/60/96/54/919609654.db2.gz BRAAEFZWTKWMIE-LLVKDONJSA-N 2 1 323.401 -1.331 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(NCc3nnnn3C)CC2)C1 ZINC001368043718 919609663 /nfs/dbraw/zinc/60/96/63/919609663.db2.gz BRAAEFZWTKWMIE-LLVKDONJSA-N 2 1 323.401 -1.331 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368264289 919646341 /nfs/dbraw/zinc/64/63/41/919646341.db2.gz BIOKQHAEKOZZJZ-HIFRSBDPSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368264289 919646353 /nfs/dbraw/zinc/64/63/53/919646353.db2.gz BIOKQHAEKOZZJZ-HIFRSBDPSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368292277 919669075 /nfs/dbraw/zinc/66/90/75/919669075.db2.gz YOEACNRPECSCOS-ZFWWWQNUSA-N 2 1 315.414 -1.500 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001368715863 919766481 /nfs/dbraw/zinc/76/64/81/919766481.db2.gz PHXAJKSYJKQXMV-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001368715863 919766489 /nfs/dbraw/zinc/76/64/89/919766489.db2.gz PHXAJKSYJKQXMV-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368817343 919777680 /nfs/dbraw/zinc/77/76/80/919777680.db2.gz SOBFEUJVDJZSBA-UHFFFAOYSA-N 2 1 322.369 -1.129 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368931203 919785520 /nfs/dbraw/zinc/78/55/20/919785520.db2.gz KQRYMHNTFHLXQJ-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368931203 919785536 /nfs/dbraw/zinc/78/55/36/919785536.db2.gz KQRYMHNTFHLXQJ-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368931203 919785552 /nfs/dbraw/zinc/78/55/52/919785552.db2.gz KQRYMHNTFHLXQJ-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368931203 919785570 /nfs/dbraw/zinc/78/55/70/919785570.db2.gz KQRYMHNTFHLXQJ-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001369320014 919854774 /nfs/dbraw/zinc/85/47/74/919854774.db2.gz BDQXLBFEUMNBKU-FRRDWIJNSA-N 2 1 312.414 -1.374 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369330741 919863690 /nfs/dbraw/zinc/86/36/90/919863690.db2.gz XXCKTBVRNUXVRE-GRYCIOLGSA-N 2 1 300.403 -1.471 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369354286 919891211 /nfs/dbraw/zinc/89/12/11/919891211.db2.gz UVOQZCXVYHLQTA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001369365982 919903355 /nfs/dbraw/zinc/90/33/55/919903355.db2.gz PPCMVEYMFBYLRW-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369365982 919903373 /nfs/dbraw/zinc/90/33/73/919903373.db2.gz PPCMVEYMFBYLRW-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369378124 919914692 /nfs/dbraw/zinc/91/46/92/919914692.db2.gz BALOWUWXSIGMDH-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369378117 919915281 /nfs/dbraw/zinc/91/52/81/919915281.db2.gz BALOWUWXSIGMDH-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001369402493 919923002 /nfs/dbraw/zinc/92/30/02/919923002.db2.gz RKXMXSCRXOZPFE-KOLCDFICSA-N 2 1 322.369 -1.035 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001369402497 919923482 /nfs/dbraw/zinc/92/34/82/919923482.db2.gz RKXMXSCRXOZPFE-MWLCHTKSSA-N 2 1 322.369 -1.035 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001369474281 919947944 /nfs/dbraw/zinc/94/79/44/919947944.db2.gz JAGXCHDLTSVXPI-NSHDSACASA-N 2 1 302.419 -1.142 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369470145 919948484 /nfs/dbraw/zinc/94/84/84/919948484.db2.gz NFZPRQTZBRZKCN-RDBSUJKOSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369470144 919950304 /nfs/dbraw/zinc/95/03/04/919950304.db2.gz NFZPRQTZBRZKCN-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369470143 919950405 /nfs/dbraw/zinc/95/04/05/919950405.db2.gz NFZPRQTZBRZKCN-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001369481303 919955884 /nfs/dbraw/zinc/95/58/84/919955884.db2.gz QBZGNUCFFKMVPO-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001369506181 919973068 /nfs/dbraw/zinc/97/30/68/919973068.db2.gz PGJUANDORMNSOG-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001369506181 919973079 /nfs/dbraw/zinc/97/30/79/919973079.db2.gz PGJUANDORMNSOG-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001369506181 919973086 /nfs/dbraw/zinc/97/30/86/919973086.db2.gz PGJUANDORMNSOG-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369506181 919973092 /nfs/dbraw/zinc/97/30/92/919973092.db2.gz PGJUANDORMNSOG-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369504424 919974010 /nfs/dbraw/zinc/97/40/10/919974010.db2.gz OFPJMIAIZGTCRH-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369504424 919974021 /nfs/dbraw/zinc/97/40/21/919974021.db2.gz OFPJMIAIZGTCRH-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369504424 919974035 /nfs/dbraw/zinc/97/40/35/919974035.db2.gz OFPJMIAIZGTCRH-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369504424 919974048 /nfs/dbraw/zinc/97/40/48/919974048.db2.gz OFPJMIAIZGTCRH-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001369512355 919976900 /nfs/dbraw/zinc/97/69/00/919976900.db2.gz KDHNYSXCMGXXLN-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001369512355 919976920 /nfs/dbraw/zinc/97/69/20/919976920.db2.gz KDHNYSXCMGXXLN-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369512355 919976932 /nfs/dbraw/zinc/97/69/32/919976932.db2.gz KDHNYSXCMGXXLN-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369512355 919976948 /nfs/dbraw/zinc/97/69/48/919976948.db2.gz KDHNYSXCMGXXLN-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001369512348 919978415 /nfs/dbraw/zinc/97/84/15/919978415.db2.gz KDHNYSXCMGXXLN-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001369512348 919978426 /nfs/dbraw/zinc/97/84/26/919978426.db2.gz KDHNYSXCMGXXLN-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369512348 919978440 /nfs/dbraw/zinc/97/84/40/919978440.db2.gz KDHNYSXCMGXXLN-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369512348 919978453 /nfs/dbraw/zinc/97/84/53/919978453.db2.gz KDHNYSXCMGXXLN-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001369512352 919978894 /nfs/dbraw/zinc/97/88/94/919978894.db2.gz KDHNYSXCMGXXLN-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001369512352 919978906 /nfs/dbraw/zinc/97/89/06/919978906.db2.gz KDHNYSXCMGXXLN-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369512352 919978917 /nfs/dbraw/zinc/97/89/17/919978917.db2.gz KDHNYSXCMGXXLN-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369512352 919978930 /nfs/dbraw/zinc/97/89/30/919978930.db2.gz KDHNYSXCMGXXLN-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515877 919982030 /nfs/dbraw/zinc/98/20/30/919982030.db2.gz OTVGADVDEHVANQ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515877 919982044 /nfs/dbraw/zinc/98/20/44/919982044.db2.gz OTVGADVDEHVANQ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515874 919982690 /nfs/dbraw/zinc/98/26/90/919982690.db2.gz OTVGADVDEHVANQ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515874 919982695 /nfs/dbraw/zinc/98/26/95/919982695.db2.gz OTVGADVDEHVANQ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515869 919983490 /nfs/dbraw/zinc/98/34/90/919983490.db2.gz OTVGADVDEHVANQ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515869 919983505 /nfs/dbraw/zinc/98/35/05/919983505.db2.gz OTVGADVDEHVANQ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001370707991 920132741 /nfs/dbraw/zinc/13/27/41/920132741.db2.gz PWENBCNZZWNBOJ-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370709691 920135305 /nfs/dbraw/zinc/13/53/05/920135305.db2.gz VKDKDNLULHUWPL-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370709690 920136114 /nfs/dbraw/zinc/13/61/14/920136114.db2.gz VKDKDNLULHUWPL-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001371473824 920265185 /nfs/dbraw/zinc/26/51/85/920265185.db2.gz OMDDTNYLSMCCLW-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001371473828 920265331 /nfs/dbraw/zinc/26/53/31/920265331.db2.gz OMDDTNYLSMCCLW-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001371473832 920266526 /nfs/dbraw/zinc/26/65/26/920266526.db2.gz OMDDTNYLSMCCLW-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371884677 920305871 /nfs/dbraw/zinc/30/58/71/920305871.db2.gz VYFMVKAIRRXTAV-SECBINFHSA-N 2 1 310.358 -1.129 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734898 920555433 /nfs/dbraw/zinc/55/54/33/920555433.db2.gz IQXOAISJUAKJEU-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734898 920555450 /nfs/dbraw/zinc/55/54/50/920555450.db2.gz IQXOAISJUAKJEU-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734900 920555886 /nfs/dbraw/zinc/55/58/86/920555886.db2.gz IQXOAISJUAKJEU-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734900 920555888 /nfs/dbraw/zinc/55/58/88/920555888.db2.gz IQXOAISJUAKJEU-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001374070058 920581059 /nfs/dbraw/zinc/58/10/59/920581059.db2.gz CWJGSVVWGHPCCU-QWRGUYRKSA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556239 920616502 /nfs/dbraw/zinc/61/65/02/920616502.db2.gz REYBGYSJPOPWGV-WDEREUQCSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556239 920616513 /nfs/dbraw/zinc/61/65/13/920616513.db2.gz REYBGYSJPOPWGV-WDEREUQCSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556239 920616519 /nfs/dbraw/zinc/61/65/19/920616519.db2.gz REYBGYSJPOPWGV-WDEREUQCSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556239 920616530 /nfs/dbraw/zinc/61/65/30/920616530.db2.gz REYBGYSJPOPWGV-WDEREUQCSA-N 2 1 313.402 -1.088 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374588732 920627431 /nfs/dbraw/zinc/62/74/31/920627431.db2.gz FYAVKMCNZRZOOI-ZJUUUORDSA-N 2 1 315.374 -2.397 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374627564 920658275 /nfs/dbraw/zinc/65/82/75/920658275.db2.gz DQICHAXMJGYWLO-NEPJUHHUSA-N 2 1 309.370 -1.463 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374674943 920687411 /nfs/dbraw/zinc/68/74/11/920687411.db2.gz SOAGWDVFCSRURD-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001374686706 920693573 /nfs/dbraw/zinc/69/35/73/920693573.db2.gz XILRQTYKEFTYOE-LBPRGKRZSA-N 2 1 307.358 -1.413 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374685544 920693735 /nfs/dbraw/zinc/69/37/35/920693735.db2.gz OVCLRQADXRRBBW-UWVGGRQHSA-N 2 1 317.390 -2.023 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374685541 920694804 /nfs/dbraw/zinc/69/48/04/920694804.db2.gz OVCLRQADXRRBBW-NXEZZACHSA-N 2 1 317.390 -2.023 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001375403910 920772905 /nfs/dbraw/zinc/77/29/05/920772905.db2.gz DUYQSPWJZQKPKV-LBPRGKRZSA-N 2 1 308.386 -1.153 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001375403910 920772922 /nfs/dbraw/zinc/77/29/22/920772922.db2.gz DUYQSPWJZQKPKV-LBPRGKRZSA-N 2 1 308.386 -1.153 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375522793 920782475 /nfs/dbraw/zinc/78/24/75/920782475.db2.gz SNBRFHFBVVGWJA-JTQLQIEISA-N 2 1 311.386 -1.239 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001375686447 920795475 /nfs/dbraw/zinc/79/54/75/920795475.db2.gz UPPQWPMQXMLVPV-AWEZNQCLSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001375686447 920795480 /nfs/dbraw/zinc/79/54/80/920795480.db2.gz UPPQWPMQXMLVPV-AWEZNQCLSA-N 2 1 315.414 -1.405 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042120 920834982 /nfs/dbraw/zinc/83/49/82/920834982.db2.gz KNENIFVFRIWMJH-XHDPSFHLSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042120 920834997 /nfs/dbraw/zinc/83/49/97/920834997.db2.gz KNENIFVFRIWMJH-XHDPSFHLSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376042120 920835014 /nfs/dbraw/zinc/83/50/14/920835014.db2.gz KNENIFVFRIWMJH-XHDPSFHLSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042120 920835030 /nfs/dbraw/zinc/83/50/30/920835030.db2.gz KNENIFVFRIWMJH-XHDPSFHLSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001376081508 920846931 /nfs/dbraw/zinc/84/69/31/920846931.db2.gz LPVZJMRRZKZBME-HNNXBMFYSA-N 2 1 312.414 -1.243 20 0 DAADMP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001376081508 920846940 /nfs/dbraw/zinc/84/69/40/920846940.db2.gz LPVZJMRRZKZBME-HNNXBMFYSA-N 2 1 312.414 -1.243 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001376085026 920847141 /nfs/dbraw/zinc/84/71/41/920847141.db2.gz BKWQGBUJHUPQAE-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001376085026 920847151 /nfs/dbraw/zinc/84/71/51/920847151.db2.gz BKWQGBUJHUPQAE-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376085026 920847156 /nfs/dbraw/zinc/84/71/56/920847156.db2.gz BKWQGBUJHUPQAE-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376085026 920847163 /nfs/dbraw/zinc/84/71/63/920847163.db2.gz BKWQGBUJHUPQAE-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376087856 920847571 /nfs/dbraw/zinc/84/75/71/920847571.db2.gz GRJXUAKMGFXHIU-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376087856 920847587 /nfs/dbraw/zinc/84/75/87/920847587.db2.gz GRJXUAKMGFXHIU-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376087856 920847598 /nfs/dbraw/zinc/84/75/98/920847598.db2.gz GRJXUAKMGFXHIU-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376087856 920847615 /nfs/dbraw/zinc/84/76/15/920847615.db2.gz GRJXUAKMGFXHIU-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376087859 920848837 /nfs/dbraw/zinc/84/88/37/920848837.db2.gz GRJXUAKMGFXHIU-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376087859 920848850 /nfs/dbraw/zinc/84/88/50/920848850.db2.gz GRJXUAKMGFXHIU-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376087859 920848871 /nfs/dbraw/zinc/84/88/71/920848871.db2.gz GRJXUAKMGFXHIU-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376087859 920848891 /nfs/dbraw/zinc/84/88/91/920848891.db2.gz GRJXUAKMGFXHIU-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001376091363 920851802 /nfs/dbraw/zinc/85/18/02/920851802.db2.gz LUSHWVYYHQNYET-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001376091363 920851814 /nfs/dbraw/zinc/85/18/14/920851814.db2.gz LUSHWVYYHQNYET-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376091363 920851832 /nfs/dbraw/zinc/85/18/32/920851832.db2.gz LUSHWVYYHQNYET-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376091363 920851848 /nfs/dbraw/zinc/85/18/48/920851848.db2.gz LUSHWVYYHQNYET-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100247 920854690 /nfs/dbraw/zinc/85/46/90/920854690.db2.gz UMDRBJBGTVYMSV-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100247 920854708 /nfs/dbraw/zinc/85/47/08/920854708.db2.gz UMDRBJBGTVYMSV-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCOC)C2)C1 ZINC001376100247 920854718 /nfs/dbraw/zinc/85/47/18/920854718.db2.gz UMDRBJBGTVYMSV-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100247 920854728 /nfs/dbraw/zinc/85/47/28/920854728.db2.gz UMDRBJBGTVYMSV-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102237 920858788 /nfs/dbraw/zinc/85/87/88/920858788.db2.gz YLEHJBPYIDQEAR-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102237 920858802 /nfs/dbraw/zinc/85/88/02/920858802.db2.gz YLEHJBPYIDQEAR-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376102237 920858817 /nfs/dbraw/zinc/85/88/17/920858817.db2.gz YLEHJBPYIDQEAR-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102237 920858826 /nfs/dbraw/zinc/85/88/26/920858826.db2.gz YLEHJBPYIDQEAR-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001376629029 920994734 /nfs/dbraw/zinc/99/47/34/920994734.db2.gz OEXYWALTOWOHGX-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001376629035 920996883 /nfs/dbraw/zinc/99/68/83/920996883.db2.gz OEXYWALTOWOHGX-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001376642337 921001150 /nfs/dbraw/zinc/00/11/50/921001150.db2.gz ZBNLGMFHRBDOQU-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001376857019 921044671 /nfs/dbraw/zinc/04/46/71/921044671.db2.gz CGUPYWXWTMDMAO-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001376857017 921045037 /nfs/dbraw/zinc/04/50/37/921045037.db2.gz CGUPYWXWTMDMAO-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001377500481 921826365 /nfs/dbraw/zinc/82/63/65/921826365.db2.gz AAOLOGITSVAQFO-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001377500481 921826381 /nfs/dbraw/zinc/82/63/81/921826381.db2.gz AAOLOGITSVAQFO-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001377500481 921826394 /nfs/dbraw/zinc/82/63/94/921826394.db2.gz AAOLOGITSVAQFO-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001377500481 921826408 /nfs/dbraw/zinc/82/64/08/921826408.db2.gz AAOLOGITSVAQFO-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001377592189 921841654 /nfs/dbraw/zinc/84/16/54/921841654.db2.gz UCGYHRLLDSXHBE-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230695 921934071 /nfs/dbraw/zinc/93/40/71/921934071.db2.gz JAVHWVXCMRFWME-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230695 921934082 /nfs/dbraw/zinc/93/40/82/921934082.db2.gz JAVHWVXCMRFWME-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378649032 921989075 /nfs/dbraw/zinc/98/90/75/921989075.db2.gz PZIANKQPFNWKOL-QWRGUYRKSA-N 2 1 310.402 -1.098 20 0 DAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379181962 922051230 /nfs/dbraw/zinc/05/12/30/922051230.db2.gz NSODIXHLSHLQSL-CHWSQXEVSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379181962 922051240 /nfs/dbraw/zinc/05/12/40/922051240.db2.gz NSODIXHLSHLQSL-CHWSQXEVSA-N 2 1 311.386 -1.683 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379180293 922053104 /nfs/dbraw/zinc/05/31/04/922053104.db2.gz KXRQEWYHTJSNJF-VXGBXAGGSA-N 2 1 316.402 -2.090 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379180293 922053115 /nfs/dbraw/zinc/05/31/15/922053115.db2.gz KXRQEWYHTJSNJF-VXGBXAGGSA-N 2 1 316.402 -2.090 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379203830 922067579 /nfs/dbraw/zinc/06/75/79/922067579.db2.gz HIGBDZMCEOPVHY-SNVBAGLBSA-N 2 1 311.390 -1.739 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379204926 922068743 /nfs/dbraw/zinc/06/87/43/922068743.db2.gz CTAUMSJGJFLSIU-IJLUTSLNSA-N 2 1 300.403 -1.471 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001379206504 922073198 /nfs/dbraw/zinc/07/31/98/922073198.db2.gz ODECZFPZFBALPQ-STQMWFEESA-N 2 1 312.414 -1.184 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001379242370 922093506 /nfs/dbraw/zinc/09/35/06/922093506.db2.gz PLNVSKGDDPWPLX-WCQYABFASA-N 2 1 312.418 -1.032 20 0 DAADMP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001379239547 922094911 /nfs/dbraw/zinc/09/49/11/922094911.db2.gz WSTLARVQVKRYII-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001379428958 922172714 /nfs/dbraw/zinc/17/27/14/922172714.db2.gz COPXISAICBDLPA-SNVBAGLBSA-N 2 1 315.374 -2.002 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001379440630 922178091 /nfs/dbraw/zinc/17/80/91/922178091.db2.gz KLNYLPRBQBRRHN-DGCLKSJQSA-N 2 1 323.397 -1.075 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379478363 922196052 /nfs/dbraw/zinc/19/60/52/922196052.db2.gz YVZXHUGSAVEZOI-XUXIUFHCSA-N 2 1 317.430 -1.209 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001379504040 922207426 /nfs/dbraw/zinc/20/74/26/922207426.db2.gz RVONOXKMXYMFAS-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379503888 922207908 /nfs/dbraw/zinc/20/79/08/922207908.db2.gz JHOIVVJGNMQACZ-OLZOCXBDSA-N 2 1 310.402 -1.313 20 0 DAADMP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379527534 922215891 /nfs/dbraw/zinc/21/58/91/922215891.db2.gz NPFUBRYUXHYKBF-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCNC2=O)C1 ZINC001379531300 922221424 /nfs/dbraw/zinc/22/14/24/922221424.db2.gz VQADKLCGBXZBHO-NEPJUHHUSA-N 2 1 313.402 -1.970 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379583889 922229166 /nfs/dbraw/zinc/22/91/66/922229166.db2.gz WDUWJYSAIIHPRZ-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379759551 922252175 /nfs/dbraw/zinc/25/21/75/922252175.db2.gz POKDOMCEMZZXDJ-MNOVXSKESA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379759551 922252191 /nfs/dbraw/zinc/25/21/91/922252191.db2.gz POKDOMCEMZZXDJ-MNOVXSKESA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379759542 922253448 /nfs/dbraw/zinc/25/34/48/922253448.db2.gz POKDOMCEMZZXDJ-GHMZBOCLSA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379759542 922253460 /nfs/dbraw/zinc/25/34/60/922253460.db2.gz POKDOMCEMZZXDJ-GHMZBOCLSA-N 2 1 311.390 -1.787 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379815351 922269753 /nfs/dbraw/zinc/26/97/53/922269753.db2.gz OBGMKARTSFEEGL-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001379818132 922272037 /nfs/dbraw/zinc/27/20/37/922272037.db2.gz RCXGMCDZYVBEAI-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379818454 922273701 /nfs/dbraw/zinc/27/37/01/922273701.db2.gz ACKYNTJODRLENO-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379836475 922275831 /nfs/dbraw/zinc/27/58/31/922275831.db2.gz SPKDTCDZCRAOBK-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379836470 922275873 /nfs/dbraw/zinc/27/58/73/922275873.db2.gz SPKDTCDZCRAOBK-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379838047 922276688 /nfs/dbraw/zinc/27/66/88/922276688.db2.gz VYWLPRLERCKSBU-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001379839703 922277780 /nfs/dbraw/zinc/27/77/80/922277780.db2.gz HSDKCWXDDFPNNJ-RYUDHWBXSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379861787 922283129 /nfs/dbraw/zinc/28/31/29/922283129.db2.gz GWFRFJBICPUALM-MNOVXSKESA-N 2 1 302.375 -2.399 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379861788 922284760 /nfs/dbraw/zinc/28/47/60/922284760.db2.gz GWFRFJBICPUALM-QWRGUYRKSA-N 2 1 302.375 -2.399 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379867698 922285028 /nfs/dbraw/zinc/28/50/28/922285028.db2.gz HXXMFSJAWGWFCJ-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379974624 922308445 /nfs/dbraw/zinc/30/84/45/922308445.db2.gz RPQCRGXJCPLNMC-VXGBXAGGSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379974624 922308457 /nfs/dbraw/zinc/30/84/57/922308457.db2.gz RPQCRGXJCPLNMC-VXGBXAGGSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379974624 922308470 /nfs/dbraw/zinc/30/84/70/922308470.db2.gz RPQCRGXJCPLNMC-VXGBXAGGSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379974624 922308483 /nfs/dbraw/zinc/30/84/83/922308483.db2.gz RPQCRGXJCPLNMC-VXGBXAGGSA-N 2 1 300.403 -1.565 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001379970105 922309560 /nfs/dbraw/zinc/30/95/60/922309560.db2.gz KTFFJNCDIMLJEP-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001379970105 922309576 /nfs/dbraw/zinc/30/95/76/922309576.db2.gz KTFFJNCDIMLJEP-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379970105 922309591 /nfs/dbraw/zinc/30/95/91/922309591.db2.gz KTFFJNCDIMLJEP-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985351 922312739 /nfs/dbraw/zinc/31/27/39/922312739.db2.gz WUFWHELDXYTUHY-VXGBXAGGSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985351 922312757 /nfs/dbraw/zinc/31/27/57/922312757.db2.gz WUFWHELDXYTUHY-VXGBXAGGSA-N 2 1 312.414 -1.293 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001380486802 922359563 /nfs/dbraw/zinc/35/95/63/922359563.db2.gz QNEKWAMWZXXUGV-LLVKDONJSA-N 2 1 314.386 -1.943 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001380486802 922359575 /nfs/dbraw/zinc/35/95/75/922359575.db2.gz QNEKWAMWZXXUGV-LLVKDONJSA-N 2 1 314.386 -1.943 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001380534353 922373381 /nfs/dbraw/zinc/37/33/81/922373381.db2.gz FILHVIMTVWSJAW-RISCZKNCSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001380534353 922373393 /nfs/dbraw/zinc/37/33/93/922373393.db2.gz FILHVIMTVWSJAW-RISCZKNCSA-N 2 1 300.403 -1.374 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380550519 922384287 /nfs/dbraw/zinc/38/42/87/922384287.db2.gz GYXYLNKQMVKWAW-AWEZNQCLSA-N 2 1 300.403 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380550519 922384295 /nfs/dbraw/zinc/38/42/95/922384295.db2.gz GYXYLNKQMVKWAW-AWEZNQCLSA-N 2 1 300.403 -1.421 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566086 922394155 /nfs/dbraw/zinc/39/41/55/922394155.db2.gz PGMIITBIRSYSOL-LRDDRELGSA-N 2 1 324.425 -1.101 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380575366 922398408 /nfs/dbraw/zinc/39/84/08/922398408.db2.gz SDARFRFBUPKWDX-IUODEOHRSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380575366 922398414 /nfs/dbraw/zinc/39/84/14/922398414.db2.gz SDARFRFBUPKWDX-IUODEOHRSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380575366 922398423 /nfs/dbraw/zinc/39/84/23/922398423.db2.gz SDARFRFBUPKWDX-IUODEOHRSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380575366 922398437 /nfs/dbraw/zinc/39/84/37/922398437.db2.gz SDARFRFBUPKWDX-IUODEOHRSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380575370 922399809 /nfs/dbraw/zinc/39/98/09/922399809.db2.gz SDARFRFBUPKWDX-WFASDCNBSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380575370 922399822 /nfs/dbraw/zinc/39/98/22/922399822.db2.gz SDARFRFBUPKWDX-WFASDCNBSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380575370 922399833 /nfs/dbraw/zinc/39/98/33/922399833.db2.gz SDARFRFBUPKWDX-WFASDCNBSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380575370 922399847 /nfs/dbraw/zinc/39/98/47/922399847.db2.gz SDARFRFBUPKWDX-WFASDCNBSA-N 2 1 322.413 -1.180 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001380713245 922440756 /nfs/dbraw/zinc/44/07/56/922440756.db2.gz OZYOJJFCSBFKHY-CQSZACIVSA-N 2 1 314.430 -1.521 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001380713245 922440769 /nfs/dbraw/zinc/44/07/69/922440769.db2.gz OZYOJJFCSBFKHY-CQSZACIVSA-N 2 1 314.430 -1.521 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001380773930 922457690 /nfs/dbraw/zinc/45/76/90/922457690.db2.gz NZPUGFLSMHYUKS-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381055881 922494991 /nfs/dbraw/zinc/49/49/91/922494991.db2.gz PQAFOUSSDKCWEZ-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001381255048 922516615 /nfs/dbraw/zinc/51/66/15/922516615.db2.gz NLNLPDDQKIAXQG-LLVKDONJSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@@H](C(N)=O)N1CCC(CO)(NC(=O)[C@@H]2CCCN2C)CC1 ZINC001381247551 922516638 /nfs/dbraw/zinc/51/66/38/922516638.db2.gz UICQUZFCNSKIMX-RYUDHWBXSA-N 2 1 312.414 -1.103 20 0 DAADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001381326134 922521043 /nfs/dbraw/zinc/52/10/43/922521043.db2.gz YFIJVGZTLJVIGG-BPCQOVAHSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001381326134 922521055 /nfs/dbraw/zinc/52/10/55/922521055.db2.gz YFIJVGZTLJVIGG-BPCQOVAHSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001381326136 922521551 /nfs/dbraw/zinc/52/15/51/922521551.db2.gz YFIJVGZTLJVIGG-WXRRBKDZSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001381326136 922521559 /nfs/dbraw/zinc/52/15/59/922521559.db2.gz YFIJVGZTLJVIGG-WXRRBKDZSA-N 2 1 312.414 -1.110 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001381409960 922526795 /nfs/dbraw/zinc/52/67/95/922526795.db2.gz OURSFKCMGNRVIF-ZJUUUORDSA-N 2 1 310.358 -1.131 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001381409954 922527318 /nfs/dbraw/zinc/52/73/18/922527318.db2.gz OURSFKCMGNRVIF-NXEZZACHSA-N 2 1 310.358 -1.131 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937275 922569308 /nfs/dbraw/zinc/56/93/08/922569308.db2.gz ZLGMZFVDDAMYEY-KKOKHZNYSA-N 2 1 323.397 -1.573 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937275 922569316 /nfs/dbraw/zinc/56/93/16/922569316.db2.gz ZLGMZFVDDAMYEY-KKOKHZNYSA-N 2 1 323.397 -1.573 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937275 922569325 /nfs/dbraw/zinc/56/93/25/922569325.db2.gz ZLGMZFVDDAMYEY-KKOKHZNYSA-N 2 1 323.397 -1.573 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937273 922570443 /nfs/dbraw/zinc/57/04/43/922570443.db2.gz ZLGMZFVDDAMYEY-FIQHERPVSA-N 2 1 323.397 -1.573 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937273 922570454 /nfs/dbraw/zinc/57/04/54/922570454.db2.gz ZLGMZFVDDAMYEY-FIQHERPVSA-N 2 1 323.397 -1.573 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937273 922570466 /nfs/dbraw/zinc/57/04/66/922570466.db2.gz ZLGMZFVDDAMYEY-FIQHERPVSA-N 2 1 323.397 -1.573 20 0 DAADMP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001382212201 922622316 /nfs/dbraw/zinc/62/23/16/922622316.db2.gz NQZOGHOQRCTGKN-WCQYABFASA-N 2 1 312.414 -1.055 20 0 DAADMP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001382212201 922622324 /nfs/dbraw/zinc/62/23/24/922622324.db2.gz NQZOGHOQRCTGKN-WCQYABFASA-N 2 1 312.414 -1.055 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382268243 922652064 /nfs/dbraw/zinc/65/20/64/922652064.db2.gz UMTOJLGFENNAMW-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268243 922652076 /nfs/dbraw/zinc/65/20/76/922652076.db2.gz UMTOJLGFENNAMW-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382266707 922653289 /nfs/dbraw/zinc/65/32/89/922653289.db2.gz MGOODYQIENMHPF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268495 922655565 /nfs/dbraw/zinc/65/55/65/922655565.db2.gz XGWJXYSVKQWMCI-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001382270440 922655812 /nfs/dbraw/zinc/65/58/12/922655812.db2.gz CCWWKRPXWGRIDT-RYUDHWBXSA-N 2 1 309.370 -1.511 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001382270445 922656913 /nfs/dbraw/zinc/65/69/13/922656913.db2.gz CCWWKRPXWGRIDT-VXGBXAGGSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268496 922657011 /nfs/dbraw/zinc/65/70/11/922657011.db2.gz XGWJXYSVKQWMCI-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001382273620 922659679 /nfs/dbraw/zinc/65/96/79/922659679.db2.gz LRXSJPFGTPOAAU-NWDGAFQWSA-N 2 1 314.430 -1.081 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275446 922662513 /nfs/dbraw/zinc/66/25/13/922662513.db2.gz SYTOIRGZQWQVFP-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382381330 922708087 /nfs/dbraw/zinc/70/80/87/922708087.db2.gz IFDNQQPYFIYRCC-VXGBXAGGSA-N 2 1 316.402 -2.186 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382381330 922708100 /nfs/dbraw/zinc/70/81/00/922708100.db2.gz IFDNQQPYFIYRCC-VXGBXAGGSA-N 2 1 316.402 -2.186 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382439928 922752118 /nfs/dbraw/zinc/75/21/18/922752118.db2.gz HGJRFWUTNSYNJE-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001382441591 922754415 /nfs/dbraw/zinc/75/44/15/922754415.db2.gz KXLMBGOFIOTUAI-CYBMUJFWSA-N 2 1 323.397 -1.167 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382441043 922755396 /nfs/dbraw/zinc/75/53/96/922755396.db2.gz QAVKSUVIYQUYEE-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382441043 922755410 /nfs/dbraw/zinc/75/54/10/922755410.db2.gz QAVKSUVIYQUYEE-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382460444 922765108 /nfs/dbraw/zinc/76/51/08/922765108.db2.gz IEQGYQWYTVPSTF-JHJVBQTASA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382460444 922765123 /nfs/dbraw/zinc/76/51/23/922765123.db2.gz IEQGYQWYTVPSTF-JHJVBQTASA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382460444 922765138 /nfs/dbraw/zinc/76/51/38/922765138.db2.gz IEQGYQWYTVPSTF-JHJVBQTASA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382460444 922765150 /nfs/dbraw/zinc/76/51/50/922765150.db2.gz IEQGYQWYTVPSTF-JHJVBQTASA-N 2 1 314.430 -1.176 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382476648 922776605 /nfs/dbraw/zinc/77/66/05/922776605.db2.gz BYLBKSVGRLFIML-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382476648 922776612 /nfs/dbraw/zinc/77/66/12/922776612.db2.gz BYLBKSVGRLFIML-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382476648 922776620 /nfs/dbraw/zinc/77/66/20/922776620.db2.gz BYLBKSVGRLFIML-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382476648 922776629 /nfs/dbraw/zinc/77/66/29/922776629.db2.gz BYLBKSVGRLFIML-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001382554860 922805974 /nfs/dbraw/zinc/80/59/74/922805974.db2.gz DVAMISADLIUXGF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382554860 922805989 /nfs/dbraw/zinc/80/59/89/922805989.db2.gz DVAMISADLIUXGF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382554860 922806001 /nfs/dbraw/zinc/80/60/01/922806001.db2.gz DVAMISADLIUXGF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001382554863 922806658 /nfs/dbraw/zinc/80/66/58/922806658.db2.gz DVAMISADLIUXGF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382554863 922806674 /nfs/dbraw/zinc/80/66/74/922806674.db2.gz DVAMISADLIUXGF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382554863 922806691 /nfs/dbraw/zinc/80/66/91/922806691.db2.gz DVAMISADLIUXGF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1 ZINC001382632936 922823813 /nfs/dbraw/zinc/82/38/13/922823813.db2.gz UJTYYALZMSUBIF-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001383901157 922966878 /nfs/dbraw/zinc/96/68/78/922966878.db2.gz YWXOGDHJGWTJPE-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001383923142 922977524 /nfs/dbraw/zinc/97/75/24/922977524.db2.gz CYXSRMOEKCMFHF-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383923142 922977530 /nfs/dbraw/zinc/97/75/30/922977530.db2.gz CYXSRMOEKCMFHF-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383923142 922977534 /nfs/dbraw/zinc/97/75/34/922977534.db2.gz CYXSRMOEKCMFHF-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001385736829 923200887 /nfs/dbraw/zinc/20/08/87/923200887.db2.gz PBFVZSHBDNIMCK-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001385736829 923200895 /nfs/dbraw/zinc/20/08/95/923200895.db2.gz PBFVZSHBDNIMCK-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001389501223 923639811 /nfs/dbraw/zinc/63/98/11/923639811.db2.gz MJBAKLUTUNNKFW-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001389501223 923639826 /nfs/dbraw/zinc/63/98/26/923639826.db2.gz MJBAKLUTUNNKFW-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001389501219 923640001 /nfs/dbraw/zinc/64/00/01/923640001.db2.gz MJBAKLUTUNNKFW-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001389501219 923640016 /nfs/dbraw/zinc/64/00/16/923640016.db2.gz MJBAKLUTUNNKFW-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389681685 923666616 /nfs/dbraw/zinc/66/66/16/923666616.db2.gz BSLUCWOPXITQTL-LLVKDONJSA-N 2 1 322.369 -1.129 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391217899 923818677 /nfs/dbraw/zinc/81/86/77/923818677.db2.gz GKPUCTVUCWDAFW-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884138 923884571 /nfs/dbraw/zinc/88/45/71/923884571.db2.gz IWVAYIZIQAMARI-DGCLKSJQSA-N 2 1 310.402 -1.012 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884138 923884579 /nfs/dbraw/zinc/88/45/79/923884579.db2.gz IWVAYIZIQAMARI-DGCLKSJQSA-N 2 1 310.402 -1.012 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392096270 923930181 /nfs/dbraw/zinc/93/01/81/923930181.db2.gz DBJDEQOBZVNRRW-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392096270 923930196 /nfs/dbraw/zinc/93/01/96/923930196.db2.gz DBJDEQOBZVNRRW-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392096580 923930822 /nfs/dbraw/zinc/93/08/22/923930822.db2.gz FJWVETPYORDEDV-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392099931 923934334 /nfs/dbraw/zinc/93/43/34/923934334.db2.gz QYHQNFCFXYXZNX-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392100514 923935566 /nfs/dbraw/zinc/93/55/66/923935566.db2.gz NIBSPVHQXQJNKU-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392365743 923978031 /nfs/dbraw/zinc/97/80/31/923978031.db2.gz OCNUGOLUQIEEGN-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392368403 923981484 /nfs/dbraw/zinc/98/14/84/923981484.db2.gz VFWRMUKFOBQSAS-NWDGAFQWSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392368403 923981501 /nfs/dbraw/zinc/98/15/01/923981501.db2.gz VFWRMUKFOBQSAS-NWDGAFQWSA-N 2 1 310.402 -1.041 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392370791 923983945 /nfs/dbraw/zinc/98/39/45/923983945.db2.gz AICRSPRWXNAOSM-NSHDSACASA-N 2 1 311.390 -1.739 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392370791 923983956 /nfs/dbraw/zinc/98/39/56/923983956.db2.gz AICRSPRWXNAOSM-NSHDSACASA-N 2 1 311.390 -1.739 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001392371329 923985719 /nfs/dbraw/zinc/98/57/19/923985719.db2.gz DXRLXZWVBCEEOI-JTQLQIEISA-N 2 1 315.374 -2.268 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392377202 923989037 /nfs/dbraw/zinc/98/90/37/923989037.db2.gz RFDZINQEAXYFKJ-NWDGAFQWSA-N 2 1 323.401 -1.881 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001392390231 924001395 /nfs/dbraw/zinc/00/13/95/924001395.db2.gz HRPBCEHUMXUDDA-NEPJUHHUSA-N 2 1 300.403 -1.340 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392417055 924024396 /nfs/dbraw/zinc/02/43/96/924024396.db2.gz BXOXBXVFJHNLKD-MNOVXSKESA-N 2 1 311.390 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392417055 924024411 /nfs/dbraw/zinc/02/44/11/924024411.db2.gz BXOXBXVFJHNLKD-MNOVXSKESA-N 2 1 311.390 -1.881 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392562616 924050395 /nfs/dbraw/zinc/05/03/95/924050395.db2.gz GNGCQUFMBSSTAZ-HBNTYKKESA-N 2 1 313.402 -1.124 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001392727701 924072069 /nfs/dbraw/zinc/07/20/69/924072069.db2.gz XIQGXVYGGTYONN-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001392727701 924072084 /nfs/dbraw/zinc/07/20/84/924072084.db2.gz XIQGXVYGGTYONN-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392727701 924072099 /nfs/dbraw/zinc/07/20/99/924072099.db2.gz XIQGXVYGGTYONN-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392727701 924072110 /nfs/dbraw/zinc/07/21/10/924072110.db2.gz XIQGXVYGGTYONN-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766207 924074439 /nfs/dbraw/zinc/07/44/39/924074439.db2.gz INMSZMRLSYOFBA-MNOVXSKESA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766213 924074981 /nfs/dbraw/zinc/07/49/81/924074981.db2.gz INMSZMRLSYOFBA-QWRGUYRKSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957642 924101544 /nfs/dbraw/zinc/10/15/44/924101544.db2.gz XFXLNOIBCMRTTG-UWVGGRQHSA-N 2 1 311.386 -1.240 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1 ZINC001392965248 924101871 /nfs/dbraw/zinc/10/18/71/924101871.db2.gz WPBOJVABLHFIMQ-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1 ZINC001392965248 924101876 /nfs/dbraw/zinc/10/18/76/924101876.db2.gz WPBOJVABLHFIMQ-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957649 924102365 /nfs/dbraw/zinc/10/23/65/924102365.db2.gz XFXLNOIBCMRTTG-ZJUUUORDSA-N 2 1 311.386 -1.240 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393271690 924144624 /nfs/dbraw/zinc/14/46/24/924144624.db2.gz BVQBGOUWWPFZOT-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393272501 924145133 /nfs/dbraw/zinc/14/51/33/924145133.db2.gz CZQIMJFFFOCLPO-CJNGLKHVSA-N 2 1 324.425 -1.086 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393271894 924145237 /nfs/dbraw/zinc/14/52/37/924145237.db2.gz HOOCNMXVGLADER-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393271700 924145823 /nfs/dbraw/zinc/14/58/23/924145823.db2.gz BVQBGOUWWPFZOT-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278199 924147129 /nfs/dbraw/zinc/14/71/29/924147129.db2.gz RDXUFEOONIOPPU-SWLSCSKDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283297 924150935 /nfs/dbraw/zinc/15/09/35/924150935.db2.gz YJUAPLLKYOZBEX-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001393280933 924153003 /nfs/dbraw/zinc/15/30/03/924153003.db2.gz WYOLADNTPZJCPR-YDHLFZDLSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001393280928 924153692 /nfs/dbraw/zinc/15/36/92/924153692.db2.gz WYOLADNTPZJCPR-KCQAQPDRSA-N 2 1 317.430 -1.113 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001393453526 924204543 /nfs/dbraw/zinc/20/45/43/924204543.db2.gz HGSSFLBZSLUQFW-YNEHKIRRSA-N 2 1 314.430 -1.128 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393478115 924216702 /nfs/dbraw/zinc/21/67/02/924216702.db2.gz HPWQUEQCFYEZBT-RYUDHWBXSA-N 2 1 300.403 -1.388 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393478112 924217426 /nfs/dbraw/zinc/21/74/26/924217426.db2.gz HPWQUEQCFYEZBT-NEPJUHHUSA-N 2 1 300.403 -1.388 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001393582000 924231751 /nfs/dbraw/zinc/23/17/51/924231751.db2.gz GVBWTJRJAIUVRS-JQWIXIFHSA-N 2 1 309.370 -1.118 20 0 DAADMP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001393700975 924246917 /nfs/dbraw/zinc/24/69/17/924246917.db2.gz VKIVLPKQHMVXRI-OAHLLOKOSA-N 2 1 323.397 -1.119 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001394372918 924300284 /nfs/dbraw/zinc/30/02/84/924300284.db2.gz YZIXTYJLQXJJQI-CYDGBPFRSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001394372918 924300292 /nfs/dbraw/zinc/30/02/92/924300292.db2.gz YZIXTYJLQXJJQI-CYDGBPFRSA-N 2 1 312.414 -1.064 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558873 924307556 /nfs/dbraw/zinc/30/75/56/924307556.db2.gz FBLNQQXKRZRFES-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558873 924307564 /nfs/dbraw/zinc/30/75/64/924307564.db2.gz FBLNQQXKRZRFES-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571227 924311029 /nfs/dbraw/zinc/31/10/29/924311029.db2.gz KBMKEFQHOSRUPX-KGLIPLIRSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571227 924311038 /nfs/dbraw/zinc/31/10/38/924311038.db2.gz KBMKEFQHOSRUPX-KGLIPLIRSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571603 924311785 /nfs/dbraw/zinc/31/17/85/924311785.db2.gz LIACVJHVXSKUIV-NWDGAFQWSA-N 2 1 312.374 -2.325 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571603 924311789 /nfs/dbraw/zinc/31/17/89/924311789.db2.gz LIACVJHVXSKUIV-NWDGAFQWSA-N 2 1 312.374 -2.325 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571229 924311804 /nfs/dbraw/zinc/31/18/04/924311804.db2.gz KBMKEFQHOSRUPX-ZIAGYGMSSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571229 924311810 /nfs/dbraw/zinc/31/18/10/924311810.db2.gz KBMKEFQHOSRUPX-ZIAGYGMSSA-N 2 1 315.414 -1.190 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001394575350 924313620 /nfs/dbraw/zinc/31/36/20/924313620.db2.gz FZFJJTQKKSATSV-AAEUAGOBSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394575350 924313629 /nfs/dbraw/zinc/31/36/29/924313629.db2.gz FZFJJTQKKSATSV-AAEUAGOBSA-N 2 1 310.402 -1.041 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394608829 924336527 /nfs/dbraw/zinc/33/65/27/924336527.db2.gz BOGQMAQXEYUOMP-AVGNSLFASA-N 2 1 303.403 -1.455 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632757 924347168 /nfs/dbraw/zinc/34/71/68/924347168.db2.gz HQCCITIDAGJJPK-YPMHNXCESA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632757 924347176 /nfs/dbraw/zinc/34/71/76/924347176.db2.gz HQCCITIDAGJJPK-YPMHNXCESA-N 2 1 312.414 -1.327 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001394645326 924352572 /nfs/dbraw/zinc/35/25/72/924352572.db2.gz VACFOOWMDOMIPL-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001394657050 924356734 /nfs/dbraw/zinc/35/67/34/924356734.db2.gz NWSUNOLHEQQNQN-WDEREUQCSA-N 2 1 307.416 -1.951 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394730350 924364869 /nfs/dbraw/zinc/36/48/69/924364869.db2.gz KXALRBPRGVZYAP-CHWSQXEVSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394730350 924364874 /nfs/dbraw/zinc/36/48/74/924364874.db2.gz KXALRBPRGVZYAP-CHWSQXEVSA-N 2 1 310.402 -1.182 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001394775462 924385352 /nfs/dbraw/zinc/38/53/52/924385352.db2.gz HMWDXISUICZJAS-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001394775462 924385364 /nfs/dbraw/zinc/38/53/64/924385364.db2.gz HMWDXISUICZJAS-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001394775462 924385374 /nfs/dbraw/zinc/38/53/74/924385374.db2.gz HMWDXISUICZJAS-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001394775462 924385378 /nfs/dbraw/zinc/38/53/78/924385378.db2.gz HMWDXISUICZJAS-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001394777500 924385471 /nfs/dbraw/zinc/38/54/71/924385471.db2.gz XZPNOYBQAJNACW-IJLUTSLNSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001394777500 924385478 /nfs/dbraw/zinc/38/54/78/924385478.db2.gz XZPNOYBQAJNACW-IJLUTSLNSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001394777500 924385487 /nfs/dbraw/zinc/38/54/87/924385487.db2.gz XZPNOYBQAJNACW-IJLUTSLNSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001394777500 924385494 /nfs/dbraw/zinc/38/54/94/924385494.db2.gz XZPNOYBQAJNACW-IJLUTSLNSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001394777498 924385548 /nfs/dbraw/zinc/38/55/48/924385548.db2.gz XZPNOYBQAJNACW-GRYCIOLGSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001394777498 924385556 /nfs/dbraw/zinc/38/55/56/924385556.db2.gz XZPNOYBQAJNACW-GRYCIOLGSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001394777498 924385566 /nfs/dbraw/zinc/38/55/66/924385566.db2.gz XZPNOYBQAJNACW-GRYCIOLGSA-N 2 1 300.403 -1.437 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001394777498 924385579 /nfs/dbraw/zinc/38/55/79/924385579.db2.gz XZPNOYBQAJNACW-GRYCIOLGSA-N 2 1 300.403 -1.437 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001394784289 924388413 /nfs/dbraw/zinc/38/84/13/924388413.db2.gz GRISIDRQDHZVPF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001394784289 924388418 /nfs/dbraw/zinc/38/84/18/924388418.db2.gz GRISIDRQDHZVPF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001394784289 924388424 /nfs/dbraw/zinc/38/84/24/924388424.db2.gz GRISIDRQDHZVPF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394784289 924388431 /nfs/dbraw/zinc/38/84/31/924388431.db2.gz GRISIDRQDHZVPF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796419 924393685 /nfs/dbraw/zinc/39/36/85/924393685.db2.gz ZADBKDSNLHRSAL-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001395733987 924453883 /nfs/dbraw/zinc/45/38/83/924453883.db2.gz DMPSADHQWZRPQG-OLZOCXBDSA-N 2 1 324.425 -1.373 20 0 DAADMP CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001396053016 924506277 /nfs/dbraw/zinc/50/62/77/924506277.db2.gz PXBVTLSTPXVVKF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001396441652 924528882 /nfs/dbraw/zinc/52/88/82/924528882.db2.gz ZEYFUBHGLNMLPO-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001397112517 924557279 /nfs/dbraw/zinc/55/72/79/924557279.db2.gz IXYXLSNSSWJKRI-FDYHWXHSSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001397112517 924557285 /nfs/dbraw/zinc/55/72/85/924557285.db2.gz IXYXLSNSSWJKRI-FDYHWXHSSA-N 2 1 312.414 -1.064 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001397149263 924559568 /nfs/dbraw/zinc/55/95/68/924559568.db2.gz ZIXQEVZRJGVOJR-XYPYZODXSA-N 2 1 322.369 -1.129 20 0 DAADMP C[C@@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1)C(N)=O ZINC001397733396 924596602 /nfs/dbraw/zinc/59/66/02/924596602.db2.gz QLAPAAZUIPMYKZ-SECBINFHSA-N 2 1 324.385 -1.287 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399857452 924746382 /nfs/dbraw/zinc/74/63/82/924746382.db2.gz SBVMZKTUVKHSBX-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399857452 924746391 /nfs/dbraw/zinc/74/63/91/924746391.db2.gz SBVMZKTUVKHSBX-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399857452 924746400 /nfs/dbraw/zinc/74/64/00/924746400.db2.gz SBVMZKTUVKHSBX-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001400064382 924768956 /nfs/dbraw/zinc/76/89/56/924768956.db2.gz YYAKCMIKHHFKMW-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001400064382 924768959 /nfs/dbraw/zinc/76/89/59/924768959.db2.gz YYAKCMIKHHFKMW-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001400064385 924770066 /nfs/dbraw/zinc/77/00/66/924770066.db2.gz YYAKCMIKHHFKMW-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001400064385 924770074 /nfs/dbraw/zinc/77/00/74/924770074.db2.gz YYAKCMIKHHFKMW-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001400088064 924771353 /nfs/dbraw/zinc/77/13/53/924771353.db2.gz PMWVUVSFMDBBAQ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001400088064 924771360 /nfs/dbraw/zinc/77/13/60/924771360.db2.gz PMWVUVSFMDBBAQ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001400689946 924824177 /nfs/dbraw/zinc/82/41/77/924824177.db2.gz TZPJRGXGNVELLE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001400689946 924824182 /nfs/dbraw/zinc/82/41/82/924824182.db2.gz TZPJRGXGNVELLE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001400689946 924824191 /nfs/dbraw/zinc/82/41/91/924824191.db2.gz TZPJRGXGNVELLE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)COC)C2)C1 ZINC001400689946 924824197 /nfs/dbraw/zinc/82/41/97/924824197.db2.gz TZPJRGXGNVELLE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401262478 924853579 /nfs/dbraw/zinc/85/35/79/924853579.db2.gz SJBJMMVDNUOCSM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001401497969 924867742 /nfs/dbraw/zinc/86/77/42/924867742.db2.gz NBYUHASXQYRFRL-OLZOCXBDSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001401497969 924867747 /nfs/dbraw/zinc/86/77/47/924867747.db2.gz NBYUHASXQYRFRL-OLZOCXBDSA-N 2 1 310.402 -1.041 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401536783 924877497 /nfs/dbraw/zinc/87/74/97/924877497.db2.gz IZOVHRAKZJYOGG-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401541168 924880397 /nfs/dbraw/zinc/88/03/97/924880397.db2.gz NXOLKQCTNXWTQM-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401541153 924880584 /nfs/dbraw/zinc/88/05/84/924880584.db2.gz NXOLKQCTNXWTQM-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001401562100 924892980 /nfs/dbraw/zinc/89/29/80/924892980.db2.gz UPSUBHHMXHENKK-UWVGGRQHSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001401562098 924893124 /nfs/dbraw/zinc/89/31/24/924893124.db2.gz UPSUBHHMXHENKK-NXEZZACHSA-N 2 1 315.374 -2.410 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001401589437 924902445 /nfs/dbraw/zinc/90/24/45/924902445.db2.gz XLAWLNSVTGWAPY-DGCLKSJQSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001401589437 924902450 /nfs/dbraw/zinc/90/24/50/924902450.db2.gz XLAWLNSVTGWAPY-DGCLKSJQSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001401589427 924902486 /nfs/dbraw/zinc/90/24/86/924902486.db2.gz XLAWLNSVTGWAPY-AAEUAGOBSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001401589427 924902493 /nfs/dbraw/zinc/90/24/93/924902493.db2.gz XLAWLNSVTGWAPY-AAEUAGOBSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001401589459 924903963 /nfs/dbraw/zinc/90/39/63/924903963.db2.gz XLAWLNSVTGWAPY-YPMHNXCESA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001401589459 924903971 /nfs/dbraw/zinc/90/39/71/924903971.db2.gz XLAWLNSVTGWAPY-YPMHNXCESA-N 2 1 310.402 -1.184 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402273250 924962095 /nfs/dbraw/zinc/96/20/95/924962095.db2.gz VDYNSZMOWBWMGU-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402273250 924962103 /nfs/dbraw/zinc/96/21/03/924962103.db2.gz VDYNSZMOWBWMGU-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402288749 924966769 /nfs/dbraw/zinc/96/67/69/924966769.db2.gz LASWCYMOOVYKMG-IUODEOHRSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402288749 924966775 /nfs/dbraw/zinc/96/67/75/924966775.db2.gz LASWCYMOOVYKMG-IUODEOHRSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402288749 924966783 /nfs/dbraw/zinc/96/67/83/924966783.db2.gz LASWCYMOOVYKMG-IUODEOHRSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402288749 924966792 /nfs/dbraw/zinc/96/67/92/924966792.db2.gz LASWCYMOOVYKMG-IUODEOHRSA-N 2 1 312.414 -1.421 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402318491 924973115 /nfs/dbraw/zinc/97/31/15/924973115.db2.gz PSSCKZGGOUPOFB-HNNXBMFYSA-N 2 1 310.398 -1.619 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402318491 924973122 /nfs/dbraw/zinc/97/31/22/924973122.db2.gz PSSCKZGGOUPOFB-HNNXBMFYSA-N 2 1 310.398 -1.619 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001402479194 925004148 /nfs/dbraw/zinc/00/41/48/925004148.db2.gz WWRPJMRJKLRZRH-NSHDSACASA-N 2 1 311.386 -1.263 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001402479191 925004587 /nfs/dbraw/zinc/00/45/87/925004587.db2.gz WWRPJMRJKLRZRH-LLVKDONJSA-N 2 1 311.386 -1.263 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001402732453 925024832 /nfs/dbraw/zinc/02/48/32/925024832.db2.gz MVDMNZNUBHDUKW-HNNXBMFYSA-N 2 1 315.414 -1.356 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001402718801 925025558 /nfs/dbraw/zinc/02/55/58/925025558.db2.gz NPRSSIDOUJNRBP-JMSVASOKSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001402718817 925026032 /nfs/dbraw/zinc/02/60/32/925026032.db2.gz NPRSSIDOUJNRBP-LALPHHSUSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001402791223 925028768 /nfs/dbraw/zinc/02/87/68/925028768.db2.gz ATLSLJVHJBKILI-VXGBXAGGSA-N 2 1 312.414 -1.103 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402815766 925030651 /nfs/dbraw/zinc/03/06/51/925030651.db2.gz FFSXLPTVUKFHBS-YNEHKIRRSA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402815766 925030659 /nfs/dbraw/zinc/03/06/59/925030659.db2.gz FFSXLPTVUKFHBS-YNEHKIRRSA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402815754 925031036 /nfs/dbraw/zinc/03/10/36/925031036.db2.gz FFSXLPTVUKFHBS-RWMBFGLXSA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402815754 925031044 /nfs/dbraw/zinc/03/10/44/925031044.db2.gz FFSXLPTVUKFHBS-RWMBFGLXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001402858006 925033830 /nfs/dbraw/zinc/03/38/30/925033830.db2.gz BSJCZLRBRTXRAI-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001402858006 925033841 /nfs/dbraw/zinc/03/38/41/925033841.db2.gz BSJCZLRBRTXRAI-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402894665 925037418 /nfs/dbraw/zinc/03/74/18/925037418.db2.gz RHZAYTICYPPPDJ-LBPRGKRZSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402894665 925037430 /nfs/dbraw/zinc/03/74/30/925037430.db2.gz RHZAYTICYPPPDJ-LBPRGKRZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402889950 925037880 /nfs/dbraw/zinc/03/78/80/925037880.db2.gz IPVKWNOZWAQEBG-VXGBXAGGSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402889950 925037890 /nfs/dbraw/zinc/03/78/90/925037890.db2.gz IPVKWNOZWAQEBG-VXGBXAGGSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402889912 925039517 /nfs/dbraw/zinc/03/95/17/925039517.db2.gz IPVKWNOZWAQEBG-NWDGAFQWSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402889912 925039528 /nfs/dbraw/zinc/03/95/28/925039528.db2.gz IPVKWNOZWAQEBG-NWDGAFQWSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360638 925074123 /nfs/dbraw/zinc/07/41/23/925074123.db2.gz OEELJDDONFHQGT-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360638 925074130 /nfs/dbraw/zinc/07/41/30/925074130.db2.gz OEELJDDONFHQGT-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403727660 925130622 /nfs/dbraw/zinc/13/06/22/925130622.db2.gz BRADVLZFSKNJOU-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403727660 925130629 /nfs/dbraw/zinc/13/06/29/925130629.db2.gz BRADVLZFSKNJOU-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001403727660 925130635 /nfs/dbraw/zinc/13/06/35/925130635.db2.gz BRADVLZFSKNJOU-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403727660 925130638 /nfs/dbraw/zinc/13/06/38/925130638.db2.gz BRADVLZFSKNJOU-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731928 925132090 /nfs/dbraw/zinc/13/20/90/925132090.db2.gz RCICLEMJHPQSHR-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cc(CC[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001403749222 925136878 /nfs/dbraw/zinc/13/68/78/925136878.db2.gz PSKHFCUVVBBYMJ-KBPBESRZSA-N 2 1 309.414 -1.019 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)C1 ZINC001403751502 925137009 /nfs/dbraw/zinc/13/70/09/925137009.db2.gz QVYOAYUVSPTTMM-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403826558 925147553 /nfs/dbraw/zinc/14/75/53/925147553.db2.gz BUCXWGDPZKZKSQ-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001403854550 925155529 /nfs/dbraw/zinc/15/55/29/925155529.db2.gz RPVJNQBYIVSRON-VXGBXAGGSA-N 2 1 300.403 -1.245 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001403873024 925160441 /nfs/dbraw/zinc/16/04/41/925160441.db2.gz FFMPZQDORUBMGG-VXGBXAGGSA-N 2 1 302.419 -1.130 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001403883842 925163009 /nfs/dbraw/zinc/16/30/09/925163009.db2.gz PLVBSZBLEAACLS-GFCCVEGCSA-N 2 1 302.419 -1.176 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001403892894 925166032 /nfs/dbraw/zinc/16/60/32/925166032.db2.gz IIISOCYSHZBWCX-OLZOCXBDSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001403892894 925166038 /nfs/dbraw/zinc/16/60/38/925166038.db2.gz IIISOCYSHZBWCX-OLZOCXBDSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403892894 925166046 /nfs/dbraw/zinc/16/60/46/925166046.db2.gz IIISOCYSHZBWCX-OLZOCXBDSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403892894 925166052 /nfs/dbraw/zinc/16/60/52/925166052.db2.gz IIISOCYSHZBWCX-OLZOCXBDSA-N 2 1 314.430 -1.080 20 0 DAADMP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001403909576 925170992 /nfs/dbraw/zinc/17/09/92/925170992.db2.gz PCOJSHWHHBXGLM-DGCLKSJQSA-N 2 1 302.419 -1.191 20 0 DAADMP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001403909576 925170996 /nfs/dbraw/zinc/17/09/96/925170996.db2.gz PCOJSHWHHBXGLM-DGCLKSJQSA-N 2 1 302.419 -1.191 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001403924029 925173552 /nfs/dbraw/zinc/17/35/52/925173552.db2.gz YAPJXEIOPIHHLX-ZIAGYGMSSA-N 2 1 317.430 -1.302 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001404306317 925190429 /nfs/dbraw/zinc/19/04/29/925190429.db2.gz ABPIFJDBBZFKMO-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405281818 925278262 /nfs/dbraw/zinc/27/82/62/925278262.db2.gz JNOILAYJIIDNEC-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405792172 925335477 /nfs/dbraw/zinc/33/54/77/925335477.db2.gz GBQLCWHXAXYWNU-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405792172 925335487 /nfs/dbraw/zinc/33/54/87/925335487.db2.gz GBQLCWHXAXYWNU-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001406234728 925367857 /nfs/dbraw/zinc/36/78/57/925367857.db2.gz HRSFIUAMHKXSGJ-LLVKDONJSA-N 2 1 310.402 -1.134 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001406245026 925372525 /nfs/dbraw/zinc/37/25/25/925372525.db2.gz NXBOKDWLQAGUFH-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001406253162 925376712 /nfs/dbraw/zinc/37/67/12/925376712.db2.gz WYIQAIKVWOCZOA-CHWSQXEVSA-N 2 1 312.414 -1.055 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001406261093 925384050 /nfs/dbraw/zinc/38/40/50/925384050.db2.gz CFIYRSJQKRGRTK-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001406298991 925401295 /nfs/dbraw/zinc/40/12/95/925401295.db2.gz VYUSVSVYIPCLLE-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001406315015 925401441 /nfs/dbraw/zinc/40/14/41/925401441.db2.gz YUAGPAYIRIUHIM-NWDGAFQWSA-N 2 1 300.403 -1.376 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001406299089 925401472 /nfs/dbraw/zinc/40/14/72/925401472.db2.gz YAJNRODHXHRKPW-WCQYABFASA-N 2 1 312.418 -1.032 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001406315684 925401509 /nfs/dbraw/zinc/40/15/09/925401509.db2.gz ZFPUPEFYSRSDLC-NWDGAFQWSA-N 2 1 302.419 -1.130 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001406411998 925415191 /nfs/dbraw/zinc/41/51/91/925415191.db2.gz VBQODJPMYCFJFV-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001406553340 925422364 /nfs/dbraw/zinc/42/23/64/925422364.db2.gz ASUMMSKGIFRMEF-IUCAKERBSA-N 2 1 310.358 -1.131 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001407115856 925453204 /nfs/dbraw/zinc/45/32/04/925453204.db2.gz SSGRMABIFWWTLD-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380335 925474411 /nfs/dbraw/zinc/47/44/11/925474411.db2.gz DVADEELFIVADMR-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380335 925474420 /nfs/dbraw/zinc/47/44/20/925474420.db2.gz DVADEELFIVADMR-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380335 925474425 /nfs/dbraw/zinc/47/44/25/925474425.db2.gz DVADEELFIVADMR-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380335 925474435 /nfs/dbraw/zinc/47/44/35/925474435.db2.gz DVADEELFIVADMR-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001407776804 925525192 /nfs/dbraw/zinc/52/51/92/925525192.db2.gz BKZOUDFEFSNOEO-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001407776804 925525199 /nfs/dbraw/zinc/52/51/99/925525199.db2.gz BKZOUDFEFSNOEO-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001408105394 925548544 /nfs/dbraw/zinc/54/85/44/925548544.db2.gz MJBAKLUTUNNKFW-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001408105394 925548550 /nfs/dbraw/zinc/54/85/50/925548550.db2.gz MJBAKLUTUNNKFW-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001408150319 925551011 /nfs/dbraw/zinc/55/10/11/925551011.db2.gz DFFWTNWZSSPCMU-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001408192543 925555670 /nfs/dbraw/zinc/55/56/70/925555670.db2.gz KSBKHWGBJVJDHO-NWDGAFQWSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001408192543 925555676 /nfs/dbraw/zinc/55/56/76/925555676.db2.gz KSBKHWGBJVJDHO-NWDGAFQWSA-N 2 1 321.443 -1.154 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001409078732 925610813 /nfs/dbraw/zinc/61/08/13/925610813.db2.gz YRRJGANIITXQMM-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001409078732 925610818 /nfs/dbraw/zinc/61/08/18/925610818.db2.gz YRRJGANIITXQMM-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075317 925673442 /nfs/dbraw/zinc/67/34/42/925673442.db2.gz CUAFNVITBCFSEB-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001410754558 925770894 /nfs/dbraw/zinc/77/08/94/925770894.db2.gz OTMHBJOZYQYNLC-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP O=C(NC[C@H](CO)[NH2+]CCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001410749801 925771210 /nfs/dbraw/zinc/77/12/10/925771210.db2.gz BZYZNYJPGSYPRH-GFCCVEGCSA-N 2 1 305.338 -1.060 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001410839044 925788092 /nfs/dbraw/zinc/78/80/92/925788092.db2.gz BFLCIJZPWSPSHU-GXSJLCMTSA-N 2 1 322.369 -1.035 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411053948 925808033 /nfs/dbraw/zinc/80/80/33/925808033.db2.gz SYMSMGWXPBYOJC-GFCCVEGCSA-N 2 1 311.386 -1.311 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411138501 925819383 /nfs/dbraw/zinc/81/93/83/925819383.db2.gz LVEWAOCBNPMCPJ-QWHCGFSZSA-N 2 1 312.414 -1.421 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001411149368 925820143 /nfs/dbraw/zinc/82/01/43/925820143.db2.gz QMXRRPVOSQLXLF-WDEREUQCSA-N 2 1 313.406 -1.541 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411148019 925820646 /nfs/dbraw/zinc/82/06/46/925820646.db2.gz ULIMSZBQJLEIMS-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001411149361 925820948 /nfs/dbraw/zinc/82/09/48/925820948.db2.gz QMXRRPVOSQLXLF-QWRGUYRKSA-N 2 1 313.406 -1.541 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177623 925828005 /nfs/dbraw/zinc/82/80/05/925828005.db2.gz DBPZLRKZWAMTMX-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411181018 925829422 /nfs/dbraw/zinc/82/94/22/925829422.db2.gz PNGHXRYTYODACG-LBPRGKRZSA-N 2 1 312.414 -1.421 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411181018 925829434 /nfs/dbraw/zinc/82/94/34/925829434.db2.gz PNGHXRYTYODACG-LBPRGKRZSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001411185233 925832100 /nfs/dbraw/zinc/83/21/00/925832100.db2.gz AHMHKXDAUVXYFA-JTQLQIEISA-N 2 1 317.390 -2.116 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001411185233 925832102 /nfs/dbraw/zinc/83/21/02/925832102.db2.gz AHMHKXDAUVXYFA-JTQLQIEISA-N 2 1 317.390 -2.116 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001411216465 925834188 /nfs/dbraw/zinc/83/41/88/925834188.db2.gz NXEVSHFNUQGPKN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001411216465 925834202 /nfs/dbraw/zinc/83/42/02/925834202.db2.gz NXEVSHFNUQGPKN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001411216465 925834208 /nfs/dbraw/zinc/83/42/08/925834208.db2.gz NXEVSHFNUQGPKN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001411216465 925834217 /nfs/dbraw/zinc/83/42/17/925834217.db2.gz NXEVSHFNUQGPKN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413271180 926024408 /nfs/dbraw/zinc/02/44/08/926024408.db2.gz SFDZGSAAKMHWNE-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001413326622 926036748 /nfs/dbraw/zinc/03/67/48/926036748.db2.gz COSACQPYPORIEO-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP NC(=O)NC(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001413975462 926092954 /nfs/dbraw/zinc/09/29/54/926092954.db2.gz VPOVUWQAXDSBCJ-UHFFFAOYSA-N 2 1 314.386 -1.270 20 0 DAADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001416037467 926220865 /nfs/dbraw/zinc/22/08/65/926220865.db2.gz BVXRQZPWAJZDSQ-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001416037467 926220875 /nfs/dbraw/zinc/22/08/75/926220875.db2.gz BVXRQZPWAJZDSQ-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001416037462 926221708 /nfs/dbraw/zinc/22/17/08/926221708.db2.gz BVXRQZPWAJZDSQ-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001416037462 926221717 /nfs/dbraw/zinc/22/17/17/926221717.db2.gz BVXRQZPWAJZDSQ-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001416778967 926273964 /nfs/dbraw/zinc/27/39/64/926273964.db2.gz QOIBHPZAMSZITP-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001417819302 926339124 /nfs/dbraw/zinc/33/91/24/926339124.db2.gz CXUCPDCJWPRLKT-SECBINFHSA-N 2 1 322.369 -1.675 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001417819302 926339133 /nfs/dbraw/zinc/33/91/33/926339133.db2.gz CXUCPDCJWPRLKT-SECBINFHSA-N 2 1 322.369 -1.675 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418070077 926363486 /nfs/dbraw/zinc/36/34/86/926363486.db2.gz KKILRIQNDHRFHY-AVGNSLFASA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418615986 926410192 /nfs/dbraw/zinc/41/01/92/926410192.db2.gz IXYXLSNSSWJKRI-FVCCEPFGSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418615986 926410199 /nfs/dbraw/zinc/41/01/99/926410199.db2.gz IXYXLSNSSWJKRI-FVCCEPFGSA-N 2 1 312.414 -1.064 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419173583 926464957 /nfs/dbraw/zinc/46/49/57/926464957.db2.gz GFJKTDITUJQPOM-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419173583 926464961 /nfs/dbraw/zinc/46/49/61/926464961.db2.gz GFJKTDITUJQPOM-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001419533275 926483767 /nfs/dbraw/zinc/48/37/67/926483767.db2.gz FPFUULZTFQQMQG-SNVBAGLBSA-N 2 1 301.391 -1.137 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419643088 926493411 /nfs/dbraw/zinc/49/34/11/926493411.db2.gz CNKIUMMCRQUPQZ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419643088 926493420 /nfs/dbraw/zinc/49/34/20/926493420.db2.gz CNKIUMMCRQUPQZ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001419883363 926506417 /nfs/dbraw/zinc/50/64/17/926506417.db2.gz WIYBWVKOHVUDJK-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O ZINC001419927694 926508545 /nfs/dbraw/zinc/50/85/45/926508545.db2.gz SIXDMHJIMXHPGV-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420078860 926519595 /nfs/dbraw/zinc/51/95/95/926519595.db2.gz PHXAJKSYJKQXMV-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420078860 926519599 /nfs/dbraw/zinc/51/95/99/926519599.db2.gz PHXAJKSYJKQXMV-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107629 926524525 /nfs/dbraw/zinc/52/45/25/926524525.db2.gz JPTNWHWSPNMBLE-UONOGXRCSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107629 926524537 /nfs/dbraw/zinc/52/45/37/926524537.db2.gz JPTNWHWSPNMBLE-UONOGXRCSA-N 2 1 308.382 -1.021 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420119192 926528993 /nfs/dbraw/zinc/52/89/93/926528993.db2.gz ZWBKNLPFFBVGDM-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142373 926540362 /nfs/dbraw/zinc/54/03/62/926540362.db2.gz QBXFPJUXCGDWQS-NSHDSACASA-N 2 1 310.402 -1.134 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420138631 926540961 /nfs/dbraw/zinc/54/09/61/926540961.db2.gz LWORUSBRGTUGPT-ZYHUDNBSSA-N 2 1 300.403 -1.328 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001420147398 926542422 /nfs/dbraw/zinc/54/24/22/926542422.db2.gz QLMNKHPOOLSJKW-LBPRGKRZSA-N 2 1 310.402 -1.276 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420174878 926551014 /nfs/dbraw/zinc/55/10/14/926551014.db2.gz OMZSHHCHIJEZRQ-LLVKDONJSA-N 2 1 302.419 -1.223 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420174881 926551181 /nfs/dbraw/zinc/55/11/81/926551181.db2.gz OMZSHHCHIJEZRQ-NSHDSACASA-N 2 1 302.419 -1.223 20 0 DAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C2 ZINC001420172090 926551493 /nfs/dbraw/zinc/55/14/93/926551493.db2.gz JXJSFPNRVSYJLZ-CMPLNLGQSA-N 2 1 309.370 -1.694 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420177853 926552923 /nfs/dbraw/zinc/55/29/23/926552923.db2.gz YEBLLTGCQQTNJA-DGCLKSJQSA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177178 926554400 /nfs/dbraw/zinc/55/44/00/926554400.db2.gz WFSXQPPSMPBAGT-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177178 926554404 /nfs/dbraw/zinc/55/44/04/926554404.db2.gz WFSXQPPSMPBAGT-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP CN1CCO[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001420195795 926560704 /nfs/dbraw/zinc/56/07/04/926560704.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CCO[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001420195795 926560711 /nfs/dbraw/zinc/56/07/11/926560711.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420572361 926602192 /nfs/dbraw/zinc/60/21/92/926602192.db2.gz RRAMXCZQRIDDBE-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420572361 926602199 /nfs/dbraw/zinc/60/21/99/926602199.db2.gz RRAMXCZQRIDDBE-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420572361 926602205 /nfs/dbraw/zinc/60/22/05/926602205.db2.gz RRAMXCZQRIDDBE-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420572361 926602210 /nfs/dbraw/zinc/60/22/10/926602210.db2.gz RRAMXCZQRIDDBE-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001420736422 926612409 /nfs/dbraw/zinc/61/24/09/926612409.db2.gz APYUYJJFJSCICB-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001420736422 926612413 /nfs/dbraw/zinc/61/24/13/926612413.db2.gz APYUYJJFJSCICB-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+]1CCC(OCC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001421377803 926678862 /nfs/dbraw/zinc/67/88/62/926678862.db2.gz AVUIAVYXCUXIHV-OAHLLOKOSA-N 2 1 315.414 -1.358 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421383005 926679824 /nfs/dbraw/zinc/67/98/24/926679824.db2.gz YWFBOXSQYWRJMD-HNNXBMFYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421383005 926679831 /nfs/dbraw/zinc/67/98/31/926679831.db2.gz YWFBOXSQYWRJMD-HNNXBMFYSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCn3cncn3)C2)C1 ZINC001421396457 926686742 /nfs/dbraw/zinc/68/67/42/926686742.db2.gz ZLRTWSFQBCNAJR-UKRRQHHQSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCn3cncn3)C2)C1 ZINC001421396457 926686759 /nfs/dbraw/zinc/68/67/59/926686759.db2.gz ZLRTWSFQBCNAJR-UKRRQHHQSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)C1 ZINC001421396457 926686769 /nfs/dbraw/zinc/68/67/69/926686769.db2.gz ZLRTWSFQBCNAJR-UKRRQHHQSA-N 2 1 322.413 -1.217 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCn3cncn3)C2)C1 ZINC001421396453 926687630 /nfs/dbraw/zinc/68/76/30/926687630.db2.gz ZLRTWSFQBCNAJR-HIFRSBDPSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCn3cncn3)C2)C1 ZINC001421396453 926687656 /nfs/dbraw/zinc/68/76/56/926687656.db2.gz ZLRTWSFQBCNAJR-HIFRSBDPSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)C1 ZINC001421396453 926687663 /nfs/dbraw/zinc/68/76/63/926687663.db2.gz ZLRTWSFQBCNAJR-HIFRSBDPSA-N 2 1 322.413 -1.217 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001421658642 926743280 /nfs/dbraw/zinc/74/32/80/926743280.db2.gz PLMRWEHDIHGUBN-LLVKDONJSA-N 2 1 322.369 -1.033 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001421976692 926777262 /nfs/dbraw/zinc/77/72/62/926777262.db2.gz ABXCQWAMWODRDR-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001421969971 926777800 /nfs/dbraw/zinc/77/78/00/926777800.db2.gz BZTVNXFDYOFQKW-AWEZNQCLSA-N 2 1 309.370 -1.380 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001421976687 926779088 /nfs/dbraw/zinc/77/90/88/926779088.db2.gz ABXCQWAMWODRDR-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001422094616 926787641 /nfs/dbraw/zinc/78/76/41/926787641.db2.gz UKUZLOPKWZRGRN-VXGBXAGGSA-N 2 1 312.414 -1.245 20 0 DAADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422271189 926807310 /nfs/dbraw/zinc/80/73/10/926807310.db2.gz IBLBHLGWKKEETF-QWHCGFSZSA-N 2 1 312.370 -1.120 20 0 DAADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422271189 926807321 /nfs/dbraw/zinc/80/73/21/926807321.db2.gz IBLBHLGWKKEETF-QWHCGFSZSA-N 2 1 312.370 -1.120 20 0 DAADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422271192 926807835 /nfs/dbraw/zinc/80/78/35/926807835.db2.gz IBLBHLGWKKEETF-STQMWFEESA-N 2 1 312.370 -1.120 20 0 DAADMP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422271192 926807849 /nfs/dbraw/zinc/80/78/49/926807849.db2.gz IBLBHLGWKKEETF-STQMWFEESA-N 2 1 312.370 -1.120 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422278750 926808993 /nfs/dbraw/zinc/80/89/93/926808993.db2.gz VRSPAWMXAYCZIR-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422278750 926809003 /nfs/dbraw/zinc/80/90/03/926809003.db2.gz VRSPAWMXAYCZIR-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001422359749 926847032 /nfs/dbraw/zinc/84/70/32/926847032.db2.gz BWRHDIHCASUMDL-LLVKDONJSA-N 2 1 311.386 -1.181 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001422362414 926852660 /nfs/dbraw/zinc/85/26/60/926852660.db2.gz PEHQRMKCFPXRSZ-NEPJUHHUSA-N 2 1 314.430 -1.081 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001422379117 926856955 /nfs/dbraw/zinc/85/69/55/926856955.db2.gz KHKNKYWJBSFOFA-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001422406124 926867451 /nfs/dbraw/zinc/86/74/51/926867451.db2.gz XDAAOCBUPQOCMG-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001422406124 926867462 /nfs/dbraw/zinc/86/74/62/926867462.db2.gz XDAAOCBUPQOCMG-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423046816 926940733 /nfs/dbraw/zinc/94/07/33/926940733.db2.gz QIFYLIOZCNEWAG-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423046816 926940741 /nfs/dbraw/zinc/94/07/41/926940741.db2.gz QIFYLIOZCNEWAG-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423046804 926941176 /nfs/dbraw/zinc/94/11/76/926941176.db2.gz QIFYLIOZCNEWAG-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423046804 926941182 /nfs/dbraw/zinc/94/11/82/926941182.db2.gz QIFYLIOZCNEWAG-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001423261040 927003411 /nfs/dbraw/zinc/00/34/11/927003411.db2.gz JGXDJWJHWWPQMO-NWDGAFQWSA-N 2 1 313.402 -1.828 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423299030 927023448 /nfs/dbraw/zinc/02/34/48/927023448.db2.gz HAYYVOPITZYHBH-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001423307722 927024409 /nfs/dbraw/zinc/02/44/09/927024409.db2.gz VWDYMOHBCIGIDM-LBPRGKRZSA-N 2 1 324.385 -1.717 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001423307712 927026057 /nfs/dbraw/zinc/02/60/57/927026057.db2.gz VWDYMOHBCIGIDM-GFCCVEGCSA-N 2 1 324.385 -1.717 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001423482491 927069783 /nfs/dbraw/zinc/06/97/83/927069783.db2.gz HVMALYHZSBNWMU-CYBMUJFWSA-N 2 1 323.397 -1.121 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001423640302 927100955 /nfs/dbraw/zinc/10/09/55/927100955.db2.gz FKZYJCBOULTWTI-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001423640302 927100967 /nfs/dbraw/zinc/10/09/67/927100967.db2.gz FKZYJCBOULTWTI-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640302 927100978 /nfs/dbraw/zinc/10/09/78/927100978.db2.gz FKZYJCBOULTWTI-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640302 927100986 /nfs/dbraw/zinc/10/09/86/927100986.db2.gz FKZYJCBOULTWTI-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001423640298 927101895 /nfs/dbraw/zinc/10/18/95/927101895.db2.gz FKZYJCBOULTWTI-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001423640298 927101904 /nfs/dbraw/zinc/10/19/04/927101904.db2.gz FKZYJCBOULTWTI-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001423640298 927101913 /nfs/dbraw/zinc/10/19/13/927101913.db2.gz FKZYJCBOULTWTI-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001423640298 927101920 /nfs/dbraw/zinc/10/19/20/927101920.db2.gz FKZYJCBOULTWTI-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001423759983 927115344 /nfs/dbraw/zinc/11/53/44/927115344.db2.gz IYZWGCMUUFDMTK-JMSVASOKSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001423759983 927115351 /nfs/dbraw/zinc/11/53/51/927115351.db2.gz IYZWGCMUUFDMTK-JMSVASOKSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001423759983 927115362 /nfs/dbraw/zinc/11/53/62/927115362.db2.gz IYZWGCMUUFDMTK-JMSVASOKSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423759983 927115370 /nfs/dbraw/zinc/11/53/70/927115370.db2.gz IYZWGCMUUFDMTK-JMSVASOKSA-N 2 1 312.414 -1.374 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423801319 927135051 /nfs/dbraw/zinc/13/50/51/927135051.db2.gz NIYAQBGAYFCHJV-RISCZKNCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423801319 927135029 /nfs/dbraw/zinc/13/50/29/927135029.db2.gz NIYAQBGAYFCHJV-RISCZKNCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423801319 927135040 /nfs/dbraw/zinc/13/50/40/927135040.db2.gz NIYAQBGAYFCHJV-RISCZKNCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423801319 927135056 /nfs/dbraw/zinc/13/50/56/927135056.db2.gz NIYAQBGAYFCHJV-RISCZKNCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423801307 927136272 /nfs/dbraw/zinc/13/62/72/927136272.db2.gz NIYAQBGAYFCHJV-BXUZGUMPSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001423801307 927136279 /nfs/dbraw/zinc/13/62/79/927136279.db2.gz NIYAQBGAYFCHJV-BXUZGUMPSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423801307 927136292 /nfs/dbraw/zinc/13/62/92/927136292.db2.gz NIYAQBGAYFCHJV-BXUZGUMPSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423801307 927136303 /nfs/dbraw/zinc/13/63/03/927136303.db2.gz NIYAQBGAYFCHJV-BXUZGUMPSA-N 2 1 300.403 -1.247 20 0 DAADMP C[N@@H+](CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001424051002 927189573 /nfs/dbraw/zinc/18/95/73/927189573.db2.gz RTXONWFMSQADHJ-CYBMUJFWSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001424747509 927255644 /nfs/dbraw/zinc/25/56/44/927255644.db2.gz ZPYUZKKPDCSYNK-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425388558 927344756 /nfs/dbraw/zinc/34/47/56/927344756.db2.gz CWDJCDDYDUHNIO-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001425766510 927435657 /nfs/dbraw/zinc/43/56/57/927435657.db2.gz QQVLHLAILAVTQK-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001425775945 927440051 /nfs/dbraw/zinc/44/00/51/927440051.db2.gz CQLSCRSSIWRRJS-NWDGAFQWSA-N 2 1 311.386 -1.265 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001425786108 927446300 /nfs/dbraw/zinc/44/63/00/927446300.db2.gz AUCWVUDYWDEFCV-NSHDSACASA-N 2 1 300.403 -1.327 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796855 927450275 /nfs/dbraw/zinc/45/02/75/927450275.db2.gz DMKIVLCWOBMKKU-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796855 927450281 /nfs/dbraw/zinc/45/02/81/927450281.db2.gz DMKIVLCWOBMKKU-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425848342 927476685 /nfs/dbraw/zinc/47/66/85/927476685.db2.gz ZXTHZRBUTQFEOQ-VXGBXAGGSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425848342 927476689 /nfs/dbraw/zinc/47/66/89/927476689.db2.gz ZXTHZRBUTQFEOQ-VXGBXAGGSA-N 2 1 310.402 -1.184 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001425978311 927493468 /nfs/dbraw/zinc/49/34/68/927493468.db2.gz CZCIXZPFDFITGY-RYUDHWBXSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425978311 927493480 /nfs/dbraw/zinc/49/34/80/927493480.db2.gz CZCIXZPFDFITGY-RYUDHWBXSA-N 2 1 310.402 -1.182 20 0 DAADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC2 ZINC001426027376 927510585 /nfs/dbraw/zinc/51/05/85/927510585.db2.gz NDUDQEXRDUDZAQ-DGCLKSJQSA-N 2 1 323.397 -1.352 20 0 DAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC2 ZINC001426027372 927511292 /nfs/dbraw/zinc/51/12/92/927511292.db2.gz NDUDQEXRDUDZAQ-AAEUAGOBSA-N 2 1 323.397 -1.352 20 0 DAADMP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001426051701 927518777 /nfs/dbraw/zinc/51/87/77/927518777.db2.gz JVVOHRHSPLCODP-RYUDHWBXSA-N 2 1 311.386 -1.136 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001426071279 927525428 /nfs/dbraw/zinc/52/54/28/927525428.db2.gz OFPJMIAIZGTCRH-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001426071279 927525443 /nfs/dbraw/zinc/52/54/43/927525443.db2.gz OFPJMIAIZGTCRH-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001426071279 927525449 /nfs/dbraw/zinc/52/54/49/927525449.db2.gz OFPJMIAIZGTCRH-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001426071279 927525460 /nfs/dbraw/zinc/52/54/60/927525460.db2.gz OFPJMIAIZGTCRH-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001427925322 927708735 /nfs/dbraw/zinc/70/87/35/927708735.db2.gz NJUKDJDOBGBCHE-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427925322 927708743 /nfs/dbraw/zinc/70/87/43/927708743.db2.gz NJUKDJDOBGBCHE-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001432239091 928119620 /nfs/dbraw/zinc/11/96/20/928119620.db2.gz DKWVYDJTFWOKLN-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001432239091 928119627 /nfs/dbraw/zinc/11/96/27/928119627.db2.gz DKWVYDJTFWOKLN-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001433291871 928210239 /nfs/dbraw/zinc/21/02/39/928210239.db2.gz BYXMSJYATJUYKV-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)CC1=O ZINC001434397796 928347083 /nfs/dbraw/zinc/34/70/83/928347083.db2.gz ZJODWXNOLDLYCZ-NSHDSACASA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001437308657 928444546 /nfs/dbraw/zinc/44/45/46/928444546.db2.gz GUNPGETZXPVORO-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001437722324 928474246 /nfs/dbraw/zinc/47/42/46/928474246.db2.gz BBDRTYXTCRCHNO-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437745774 928476451 /nfs/dbraw/zinc/47/64/51/928476451.db2.gz UXSSEPAIIFQAPC-QWHCGFSZSA-N 2 1 312.414 -1.122 20 0 DAADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCOCC1 ZINC001437841216 928481421 /nfs/dbraw/zinc/48/14/21/928481421.db2.gz IZRJABCPBPTGSW-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)NC(N)=O ZINC001438379692 928515264 /nfs/dbraw/zinc/51/52/64/928515264.db2.gz ZIXTXPRURRJQAY-SNVBAGLBSA-N 2 1 310.358 -1.129 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001438506190 928519032 /nfs/dbraw/zinc/51/90/32/928519032.db2.gz FZQHTPFYKFWTNM-SECBINFHSA-N 2 1 310.358 -1.272 20 0 DAADMP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001439040894 928589230 /nfs/dbraw/zinc/58/92/30/928589230.db2.gz FMFOXAIRIMIPIQ-WCQYABFASA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001439040894 928589239 /nfs/dbraw/zinc/58/92/39/928589239.db2.gz FMFOXAIRIMIPIQ-WCQYABFASA-N 2 1 310.402 -1.184 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC2CC2)C1 ZINC001439050578 928594201 /nfs/dbraw/zinc/59/42/01/928594201.db2.gz ZSSCNEXVMFMJCD-OLZOCXBDSA-N 2 1 312.414 -1.469 20 0 DAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001439666452 928636238 /nfs/dbraw/zinc/63/62/38/928636238.db2.gz FDFPOXSXSBZMJL-JTQLQIEISA-N 2 1 308.386 -1.202 20 0 DAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC001439666452 928636244 /nfs/dbraw/zinc/63/62/44/928636244.db2.gz FDFPOXSXSBZMJL-JTQLQIEISA-N 2 1 308.386 -1.202 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439988109 928656454 /nfs/dbraw/zinc/65/64/54/928656454.db2.gz KCWFQFBGTWLYBE-IUODEOHRSA-N 2 1 310.398 -1.634 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439988109 928656460 /nfs/dbraw/zinc/65/64/60/928656460.db2.gz KCWFQFBGTWLYBE-IUODEOHRSA-N 2 1 310.398 -1.634 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439988104 928656790 /nfs/dbraw/zinc/65/67/90/928656790.db2.gz KCWFQFBGTWLYBE-DOMZBBRYSA-N 2 1 310.398 -1.634 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439988104 928656795 /nfs/dbraw/zinc/65/67/95/928656795.db2.gz KCWFQFBGTWLYBE-DOMZBBRYSA-N 2 1 310.398 -1.634 20 0 DAADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439986019 928656982 /nfs/dbraw/zinc/65/69/82/928656982.db2.gz DBVISJRXTYVGIJ-BXUZGUMPSA-N 2 1 318.393 -1.295 20 0 DAADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439986019 928656987 /nfs/dbraw/zinc/65/69/87/928656987.db2.gz DBVISJRXTYVGIJ-BXUZGUMPSA-N 2 1 318.393 -1.295 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440023618 928669560 /nfs/dbraw/zinc/66/95/60/928669560.db2.gz ORKKNQIZXRCDCX-MRXNPFEDSA-N 2 1 324.425 -1.277 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440023618 928669565 /nfs/dbraw/zinc/66/95/65/928669565.db2.gz ORKKNQIZXRCDCX-MRXNPFEDSA-N 2 1 324.425 -1.277 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001440019711 928670253 /nfs/dbraw/zinc/67/02/53/928670253.db2.gz ZDRKKQGMCKWRSJ-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001440019711 928670255 /nfs/dbraw/zinc/67/02/55/928670255.db2.gz ZDRKKQGMCKWRSJ-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001440019711 928670260 /nfs/dbraw/zinc/67/02/60/928670260.db2.gz ZDRKKQGMCKWRSJ-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001440019711 928670262 /nfs/dbraw/zinc/67/02/62/928670262.db2.gz ZDRKKQGMCKWRSJ-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017935 928670430 /nfs/dbraw/zinc/67/04/30/928670430.db2.gz CIFYCFMUFXLSGY-MLGOLLRUSA-N 2 1 322.409 -1.476 20 0 DAADMP O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017935 928670435 /nfs/dbraw/zinc/67/04/35/928670435.db2.gz CIFYCFMUFXLSGY-MLGOLLRUSA-N 2 1 322.409 -1.476 20 0 DAADMP CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001440023577 928670671 /nfs/dbraw/zinc/67/06/71/928670671.db2.gz NFEHGKMVUHKATK-CJNGLKHVSA-N 2 1 324.425 -1.134 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001440206999 928706965 /nfs/dbraw/zinc/70/69/65/928706965.db2.gz PTYCMVGJKSMIRH-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001440592860 928732751 /nfs/dbraw/zinc/73/27/51/928732751.db2.gz AYKPLCVFEMONKD-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001440839428 928745825 /nfs/dbraw/zinc/74/58/25/928745825.db2.gz MBLOWTGXHICUHD-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441440836 928789864 /nfs/dbraw/zinc/78/98/64/928789864.db2.gz MJOYKZURXXDYHJ-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441440836 928789871 /nfs/dbraw/zinc/78/98/71/928789871.db2.gz MJOYKZURXXDYHJ-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001441626801 928804061 /nfs/dbraw/zinc/80/40/61/928804061.db2.gz OUYZYCULMGAMQD-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441696803 928817715 /nfs/dbraw/zinc/81/77/15/928817715.db2.gz NIGWAWDYPVPQLN-RWMBFGLXSA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001441698509 928821020 /nfs/dbraw/zinc/82/10/20/928821020.db2.gz UCZPRPSJEMPDPE-GRYCIOLGSA-N 2 1 321.443 -1.562 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701572 928822488 /nfs/dbraw/zinc/82/24/88/928822488.db2.gz TYEKYOKXVOVDLX-QWHCGFSZSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701572 928822499 /nfs/dbraw/zinc/82/24/99/928822499.db2.gz TYEKYOKXVOVDLX-QWHCGFSZSA-N 2 1 311.386 -1.720 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001441740617 928848176 /nfs/dbraw/zinc/84/81/76/928848176.db2.gz KPDIPDWKTAAUTQ-NSHDSACASA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001441787910 928866354 /nfs/dbraw/zinc/86/63/54/928866354.db2.gz GNWJLFLPPXXETC-KGLIPLIRSA-N 2 1 324.429 -1.087 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793292 928866478 /nfs/dbraw/zinc/86/64/78/928866478.db2.gz UAFJZROZNGKZJN-GHMZBOCLSA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793292 928866487 /nfs/dbraw/zinc/86/64/87/928866487.db2.gz UAFJZROZNGKZJN-GHMZBOCLSA-N 2 1 307.416 -1.544 20 0 DAADMP Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001441787919 928868008 /nfs/dbraw/zinc/86/80/08/928868008.db2.gz GNWJLFLPPXXETC-UONOGXRCSA-N 2 1 324.429 -1.087 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001441995008 928902423 /nfs/dbraw/zinc/90/24/23/928902423.db2.gz KJYSCTPJRVAGOX-QWRGUYRKSA-N 2 1 313.406 -1.368 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001442027206 928909876 /nfs/dbraw/zinc/90/98/76/928909876.db2.gz CWJOYRHCECORLA-VXGBXAGGSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442026902 928911525 /nfs/dbraw/zinc/91/15/25/928911525.db2.gz DJXGRGJHMVGCMS-VHSXEESVSA-N 2 1 315.374 -2.458 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001442033888 928913957 /nfs/dbraw/zinc/91/39/57/928913957.db2.gz MPUGZDUIACPZTE-SNVBAGLBSA-N 2 1 317.390 -2.070 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001442052572 928916277 /nfs/dbraw/zinc/91/62/77/928916277.db2.gz NWNOAJRWTFEGBX-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001442052572 928916289 /nfs/dbraw/zinc/91/62/89/928916289.db2.gz NWNOAJRWTFEGBX-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001442052574 928916691 /nfs/dbraw/zinc/91/66/91/928916691.db2.gz NWNOAJRWTFEGBX-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001442052574 928916697 /nfs/dbraw/zinc/91/66/97/928916697.db2.gz NWNOAJRWTFEGBX-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001442096392 928926619 /nfs/dbraw/zinc/92/66/19/928926619.db2.gz OLXQJNTUQOCHNO-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001442096392 928926630 /nfs/dbraw/zinc/92/66/30/928926630.db2.gz OLXQJNTUQOCHNO-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001442096392 928926640 /nfs/dbraw/zinc/92/66/40/928926640.db2.gz OLXQJNTUQOCHNO-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442096392 928926650 /nfs/dbraw/zinc/92/66/50/928926650.db2.gz OLXQJNTUQOCHNO-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001442120102 928931439 /nfs/dbraw/zinc/93/14/39/928931439.db2.gz GUNPGETZXPVORO-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442407885 928943784 /nfs/dbraw/zinc/94/37/84/928943784.db2.gz DEWDPESSOFSTEI-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442407885 928943797 /nfs/dbraw/zinc/94/37/97/928943797.db2.gz DEWDPESSOFSTEI-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](O)COC)C1 ZINC001442602897 928957154 /nfs/dbraw/zinc/95/71/54/928957154.db2.gz ZGCCTFLBDAQLQK-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@H](O)COC)C1 ZINC001442602897 928957169 /nfs/dbraw/zinc/95/71/69/928957169.db2.gz ZGCCTFLBDAQLQK-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@H](O)COC)C1 ZINC001442602897 928957180 /nfs/dbraw/zinc/95/71/80/928957180.db2.gz ZGCCTFLBDAQLQK-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)COC)C1 ZINC001442602897 928957185 /nfs/dbraw/zinc/95/71/85/928957185.db2.gz ZGCCTFLBDAQLQK-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001443097111 928992346 /nfs/dbraw/zinc/99/23/46/928992346.db2.gz HBQNWVCOPVAFBS-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337954 929001482 /nfs/dbraw/zinc/00/14/82/929001482.db2.gz MVJCSMHMTVXXRA-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337954 929001499 /nfs/dbraw/zinc/00/14/99/929001499.db2.gz MVJCSMHMTVXXRA-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001443337954 929001506 /nfs/dbraw/zinc/00/15/06/929001506.db2.gz MVJCSMHMTVXXRA-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337954 929001517 /nfs/dbraw/zinc/00/15/17/929001517.db2.gz MVJCSMHMTVXXRA-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444310578 929110245 /nfs/dbraw/zinc/11/02/45/929110245.db2.gz OOEQISOJFWPDHE-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444310578 929110250 /nfs/dbraw/zinc/11/02/50/929110250.db2.gz OOEQISOJFWPDHE-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444593831 929132129 /nfs/dbraw/zinc/13/21/29/929132129.db2.gz FQROBHFUDNHGLX-VHSXEESVSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444593831 929132132 /nfs/dbraw/zinc/13/21/32/929132132.db2.gz FQROBHFUDNHGLX-VHSXEESVSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444727637 929150322 /nfs/dbraw/zinc/15/03/22/929150322.db2.gz NPGHQYCGSDTFEW-QWRGUYRKSA-N 2 1 310.402 -1.003 20 0 DAADMP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001445158642 929172074 /nfs/dbraw/zinc/17/20/74/929172074.db2.gz OSYBEUYSAAYJNO-STQMWFEESA-N 2 1 312.414 -1.232 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445162869 929173392 /nfs/dbraw/zinc/17/33/92/929173392.db2.gz SUHYKMPDHQBATD-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001445193390 929183011 /nfs/dbraw/zinc/18/30/11/929183011.db2.gz OVJCAEHHYGAESZ-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001445216638 929189147 /nfs/dbraw/zinc/18/91/47/929189147.db2.gz VEZBZUTYGHOJMP-QWHCGFSZSA-N 2 1 310.402 -1.134 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001445226664 929194091 /nfs/dbraw/zinc/19/40/91/929194091.db2.gz BXLOYPZZMWVPDK-WCQYABFASA-N 2 1 323.397 -1.433 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445246369 929198433 /nfs/dbraw/zinc/19/84/33/929198433.db2.gz FWEYRCHWENGNBF-RYUDHWBXSA-N 2 1 323.397 -1.038 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268720 929206365 /nfs/dbraw/zinc/20/63/65/929206365.db2.gz KDZFIGKDWQRVND-UWVGGRQHSA-N 2 1 312.374 -2.373 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445267520 929206869 /nfs/dbraw/zinc/20/68/69/929206869.db2.gz ANRRGWNRCZJQGY-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445267520 929206876 /nfs/dbraw/zinc/20/68/76/929206876.db2.gz ANRRGWNRCZJQGY-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001445267194 929207891 /nfs/dbraw/zinc/20/78/91/929207891.db2.gz ISKIWPYWTHLXJU-ZIAGYGMSSA-N 2 1 322.409 -1.096 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001445270139 929208167 /nfs/dbraw/zinc/20/81/67/929208167.db2.gz PGRNGXDHHWQNBI-GFCCVEGCSA-N 2 1 300.403 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445272316 929209323 /nfs/dbraw/zinc/20/93/23/929209323.db2.gz OVFHOMNUDICROL-RYUDHWBXSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445278027 929212233 /nfs/dbraw/zinc/21/22/33/929212233.db2.gz WZQIIKYRVKHIKW-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001446708226 929303015 /nfs/dbraw/zinc/30/30/15/929303015.db2.gz CVUOQKBNBZBWKZ-UHFFFAOYSA-N 2 1 309.370 -1.068 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001446790195 929324319 /nfs/dbraw/zinc/32/43/19/929324319.db2.gz WYOLADNTPZJCPR-VNHYZAJKSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446827306 929330798 /nfs/dbraw/zinc/33/07/98/929330798.db2.gz ARBNUQVOWUZUMZ-NEPJUHHUSA-N 2 1 301.387 -1.749 20 0 DAADMP COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 ZINC001446827306 929330804 /nfs/dbraw/zinc/33/08/04/929330804.db2.gz ARBNUQVOWUZUMZ-NEPJUHHUSA-N 2 1 301.387 -1.749 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001447056647 929367730 /nfs/dbraw/zinc/36/77/30/929367730.db2.gz BXLGRICHUMTOEG-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327853 929386883 /nfs/dbraw/zinc/38/68/83/929386883.db2.gz XTTISPCLUPHMBD-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327853 929386893 /nfs/dbraw/zinc/38/68/93/929386893.db2.gz XTTISPCLUPHMBD-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447327853 929386905 /nfs/dbraw/zinc/38/69/05/929386905.db2.gz XTTISPCLUPHMBD-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447327853 929386916 /nfs/dbraw/zinc/38/69/16/929386916.db2.gz XTTISPCLUPHMBD-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327859 929387292 /nfs/dbraw/zinc/38/72/92/929387292.db2.gz XTTISPCLUPHMBD-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327859 929387304 /nfs/dbraw/zinc/38/73/04/929387304.db2.gz XTTISPCLUPHMBD-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447327859 929387316 /nfs/dbraw/zinc/38/73/16/929387316.db2.gz XTTISPCLUPHMBD-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447327859 929387329 /nfs/dbraw/zinc/38/73/29/929387329.db2.gz XTTISPCLUPHMBD-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001447727659 929409604 /nfs/dbraw/zinc/40/96/04/929409604.db2.gz KTYLVMINVNINOS-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448853485 929494274 /nfs/dbraw/zinc/49/42/74/929494274.db2.gz BWTQTZPKMVUHSY-RYUDHWBXSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448853485 929494285 /nfs/dbraw/zinc/49/42/85/929494285.db2.gz BWTQTZPKMVUHSY-RYUDHWBXSA-N 2 1 300.403 -1.341 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448860389 929496378 /nfs/dbraw/zinc/49/63/78/929496378.db2.gz HKBVKEWMVJVOIC-VXGBXAGGSA-N 2 1 312.414 -1.184 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448860383 929497811 /nfs/dbraw/zinc/49/78/11/929497811.db2.gz HKBVKEWMVJVOIC-RYUDHWBXSA-N 2 1 312.414 -1.184 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001448867240 929500088 /nfs/dbraw/zinc/50/00/88/929500088.db2.gz HRDYERAYVZXQIT-RYUDHWBXSA-N 2 1 309.370 -1.511 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001448914173 929513264 /nfs/dbraw/zinc/51/32/64/929513264.db2.gz WXIUHPFOSCFVAZ-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001448914173 929513269 /nfs/dbraw/zinc/51/32/69/929513269.db2.gz WXIUHPFOSCFVAZ-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913147 929514113 /nfs/dbraw/zinc/51/41/13/929514113.db2.gz VMLUCLWQGKQLBT-WDEREUQCSA-N 2 1 302.419 -1.095 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001449135492 929548031 /nfs/dbraw/zinc/54/80/31/929548031.db2.gz GIWLZLJUSGVUQF-NWDGAFQWSA-N 2 1 309.370 -1.511 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001449135493 929549633 /nfs/dbraw/zinc/54/96/33/929549633.db2.gz GIWLZLJUSGVUQF-RYUDHWBXSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001449146961 929552885 /nfs/dbraw/zinc/55/28/85/929552885.db2.gz JCGOECWWCZPUKP-LLVKDONJSA-N 2 1 302.375 -2.397 20 0 DAADMP CC[N@H+](C)CCC(=O)NCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001522567682 929681903 /nfs/dbraw/zinc/68/19/03/929681903.db2.gz ACHHASHWAUFVOB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001522567682 929681910 /nfs/dbraw/zinc/68/19/10/929681910.db2.gz ACHHASHWAUFVOB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522567682 929681913 /nfs/dbraw/zinc/68/19/13/929681913.db2.gz ACHHASHWAUFVOB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522567682 929681919 /nfs/dbraw/zinc/68/19/19/929681919.db2.gz ACHHASHWAUFVOB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548557350 930030584 /nfs/dbraw/zinc/03/05/84/930030584.db2.gz LHVBUOJGLNOSCL-OLZOCXBDSA-N 2 1 309.414 -1.687 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548557351 930030695 /nfs/dbraw/zinc/03/06/95/930030695.db2.gz LHVBUOJGLNOSCL-QWHCGFSZSA-N 2 1 309.414 -1.687 20 0 DAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290542 930052381 /nfs/dbraw/zinc/05/23/81/930052381.db2.gz SHCUBTQYVPXGCQ-NWDGAFQWSA-N 2 1 310.398 -1.179 20 0 DAADMP C[NH+](C)[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001549714456 930058672 /nfs/dbraw/zinc/05/86/72/930058672.db2.gz MFOKSISXSGHPKU-KBPBESRZSA-N 2 1 321.429 -1.161 20 0 DAADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC001552086638 930068897 /nfs/dbraw/zinc/06/88/97/930068897.db2.gz OLGAJYQJGIXKGK-DGCLKSJQSA-N 2 1 308.386 -1.246 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553399025 930077051 /nfs/dbraw/zinc/07/70/51/930077051.db2.gz YGYBGPOVMLWZJW-BBRMVZONSA-N 2 1 324.425 -1.155 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553399025 930077058 /nfs/dbraw/zinc/07/70/58/930077058.db2.gz YGYBGPOVMLWZJW-BBRMVZONSA-N 2 1 324.425 -1.155 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662939174 545648482 /nfs/dbraw/zinc/64/84/82/545648482.db2.gz DKPCVOFIJLLMHO-ZDUSSCGKSA-N 2 1 312.414 -1.026 20 0 DAADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430631664 545697734 /nfs/dbraw/zinc/69/77/34/545697734.db2.gz VKCVSHDFTNPHQG-NSHDSACASA-N 2 1 306.432 -1.287 20 0 DAADMP COCCCNC(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351478317 545719956 /nfs/dbraw/zinc/71/99/56/545719956.db2.gz XVGVSFCPFSGYKZ-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000332177278 545731477 /nfs/dbraw/zinc/73/14/77/545731477.db2.gz UNBSZZOMEDOLEU-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418926951 545766064 /nfs/dbraw/zinc/76/60/64/545766064.db2.gz SDNPRSJANZCFBE-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419702780 545767274 /nfs/dbraw/zinc/76/72/74/545767274.db2.gz BYPJGTOSSOUXJG-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419418236 545767605 /nfs/dbraw/zinc/76/76/05/545767605.db2.gz YAOLIHDNRYPSFS-LBPRGKRZSA-N 2 1 300.403 -1.386 20 0 DAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419538982 545767792 /nfs/dbraw/zinc/76/77/92/545767792.db2.gz PCPGCWMQFYQGPV-SNVBAGLBSA-N 2 1 322.356 -1.076 20 0 DAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419538982 545767796 /nfs/dbraw/zinc/76/77/96/545767796.db2.gz PCPGCWMQFYQGPV-SNVBAGLBSA-N 2 1 322.356 -1.076 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000419520932 545768278 /nfs/dbraw/zinc/76/82/78/545768278.db2.gz IYDNQZFZLYRWRS-UHFFFAOYSA-N 2 1 311.430 -1.392 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000419868997 545768659 /nfs/dbraw/zinc/76/86/59/545768659.db2.gz CLWZWUGXBCBPSE-UHFFFAOYSA-N 2 1 313.446 -1.146 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835542 545769248 /nfs/dbraw/zinc/76/92/48/545769248.db2.gz AISWETNFBNYJPO-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(COC1C[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424024398 545774942 /nfs/dbraw/zinc/77/49/42/545774942.db2.gz ACJNULGBGDPPIU-UHFFFAOYSA-N 2 1 318.399 -2.579 20 0 DAADMP [NH3+][C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCC1 ZINC000424036449 545776114 /nfs/dbraw/zinc/77/61/14/545776114.db2.gz FEFYFJPCHVRCAM-LBPRGKRZSA-N 2 1 316.427 -1.440 20 0 DAADMP CCCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039470 545776200 /nfs/dbraw/zinc/77/62/00/545776200.db2.gz KBKIHGPAXDDPDQ-LBPRGKRZSA-N 2 1 318.443 -1.050 20 0 DAADMP COCC[NH2+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039136 545776519 /nfs/dbraw/zinc/77/65/19/545776519.db2.gz JIRBYROEEGAFJR-UHFFFAOYSA-N 2 1 320.415 -2.332 20 0 DAADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040111 545776606 /nfs/dbraw/zinc/77/66/06/545776606.db2.gz LBCRZMMHKBIQKE-CMPLNLGQSA-N 2 1 318.443 -1.194 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@@H](C[NH3+])C1 ZINC000643577002 372768637 /nfs/dbraw/zinc/76/86/37/372768637.db2.gz YHYXBQCEQHECIQ-AWEZNQCLSA-N 2 1 323.441 -1.216 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+]1CCO ZINC000643591069 372769974 /nfs/dbraw/zinc/76/99/74/372769974.db2.gz CDHVDGDCDKPYTP-GFCCVEGCSA-N 2 1 312.414 -1.149 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000643592249 372771628 /nfs/dbraw/zinc/77/16/28/372771628.db2.gz PPNNLXRQSVXSEW-KPWCQOOUSA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000643592249 372771633 /nfs/dbraw/zinc/77/16/33/372771633.db2.gz PPNNLXRQSVXSEW-KPWCQOOUSA-N 2 1 324.425 -1.422 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642724551 372786859 /nfs/dbraw/zinc/78/68/59/372786859.db2.gz VNSVBMYJBAVBDA-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000642773399 372799925 /nfs/dbraw/zinc/79/99/25/372799925.db2.gz WDTWLYQVFHRAMG-DGCLKSJQSA-N 2 1 311.430 -1.313 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000642785677 372807922 /nfs/dbraw/zinc/80/79/22/372807922.db2.gz CRMXVKJDJANNPW-ZIAGYGMSSA-N 2 1 323.441 -1.312 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000557241989 372812306 /nfs/dbraw/zinc/81/23/06/372812306.db2.gz TVYGPABVITXYCT-HZSPNIEDSA-N 2 1 313.446 -1.014 20 0 DAADMP COCC[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2CN(C)CCO2)C1 ZINC000632254866 372836801 /nfs/dbraw/zinc/83/68/01/372836801.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 1 321.443 -1.043 20 0 DAADMP COCCN1CC[C@@H](NS(=O)(=O)C[C@@H]2CN(C)CCO2)C1 ZINC000632254866 372836808 /nfs/dbraw/zinc/83/68/08/372836808.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 1 321.443 -1.043 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355809 372846805 /nfs/dbraw/zinc/84/68/05/372846805.db2.gz PZAMEFNWWQIRQA-RYUDHWBXSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355809 372846811 /nfs/dbraw/zinc/84/68/11/372846811.db2.gz PZAMEFNWWQIRQA-RYUDHWBXSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355807 372847990 /nfs/dbraw/zinc/84/79/90/372847990.db2.gz PZAMEFNWWQIRQA-NEPJUHHUSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355807 372847999 /nfs/dbraw/zinc/84/79/99/372847999.db2.gz PZAMEFNWWQIRQA-NEPJUHHUSA-N 2 1 316.402 -1.826 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H](C[NH3+])C1 ZINC000583434833 372866462 /nfs/dbraw/zinc/86/64/62/372866462.db2.gz FSPMACRUXZSQOI-BBRMVZONSA-N 2 1 323.441 -1.358 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561256494 372869777 /nfs/dbraw/zinc/86/97/77/372869777.db2.gz ZUJUATBHGKOEEM-GFCCVEGCSA-N 2 1 315.418 -2.218 20 0 DAADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000561223413 372870210 /nfs/dbraw/zinc/87/02/10/372870210.db2.gz PVUCCHBIRKBKQO-KBPBESRZSA-N 2 1 313.446 -1.012 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000569624901 372872675 /nfs/dbraw/zinc/87/26/75/372872675.db2.gz AEBNBQPLBGUXSC-NEPJUHHUSA-N 2 1 323.397 -2.033 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000569624908 372872971 /nfs/dbraw/zinc/87/29/71/372872971.db2.gz AEBNBQPLBGUXSC-RYUDHWBXSA-N 2 1 323.397 -2.033 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000642908257 372859680 /nfs/dbraw/zinc/85/96/80/372859680.db2.gz MMOOBGIPOAXTQG-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000642908257 372859686 /nfs/dbraw/zinc/85/96/86/372859686.db2.gz MMOOBGIPOAXTQG-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C ZINC000635579188 372893401 /nfs/dbraw/zinc/89/34/01/372893401.db2.gz YQBLACOJQZLFAB-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000570464736 372914477 /nfs/dbraw/zinc/91/44/77/372914477.db2.gz XYGZHRBHHKYNII-STQMWFEESA-N 2 1 310.398 -1.355 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000575160349 372921685 /nfs/dbraw/zinc/92/16/85/372921685.db2.gz YLCFABZJAGJQRX-BFHYXJOUSA-N 2 1 323.441 -1.169 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000575160350 372921799 /nfs/dbraw/zinc/92/17/99/372921799.db2.gz YLCFABZJAGJQRX-MCIONIFRSA-N 2 1 323.441 -1.169 20 0 DAADMP C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000601343809 372940743 /nfs/dbraw/zinc/94/07/43/372940743.db2.gz ROGFHTJGXGOYIL-MNOVXSKESA-N 2 1 316.427 -1.346 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471998 372971826 /nfs/dbraw/zinc/97/18/26/372971826.db2.gz CFTQYROMNFDGOB-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592471972 372972710 /nfs/dbraw/zinc/97/27/10/372972710.db2.gz APJMRBNNYJRQSZ-GFCCVEGCSA-N 2 1 315.418 -1.316 20 0 DAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471972 372972715 /nfs/dbraw/zinc/97/27/15/372972715.db2.gz APJMRBNNYJRQSZ-GFCCVEGCSA-N 2 1 315.418 -1.316 20 0 DAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CCN2C1=O ZINC000602531996 373063126 /nfs/dbraw/zinc/06/31/26/373063126.db2.gz YZADKSNDTOFVJF-UMSGYPCISA-N 2 1 308.382 -1.380 20 0 DAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000602503418 373063616 /nfs/dbraw/zinc/06/36/16/373063616.db2.gz IXTXWZOWOWCXCO-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000339580078 373128800 /nfs/dbraw/zinc/12/88/00/373128800.db2.gz DQVRWOOCTCPBFQ-CYBMUJFWSA-N 2 1 313.446 -1.194 20 0 DAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000627470063 373137440 /nfs/dbraw/zinc/13/74/40/373137440.db2.gz KYMLUUHALDPQLJ-UPJWGTAASA-N 2 1 310.398 -1.356 20 0 DAADMP O[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628828 373187459 /nfs/dbraw/zinc/18/74/59/373187459.db2.gz GHISCPQVHGOBRV-FPCVCCKLSA-N 2 1 308.378 -1.239 20 0 DAADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627489567 373249898 /nfs/dbraw/zinc/24/98/98/373249898.db2.gz FYUAMEYRZAHLND-NWDGAFQWSA-N 2 1 314.386 -2.255 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617508199 373263196 /nfs/dbraw/zinc/26/31/96/373263196.db2.gz XHRDWDDKVCJXKL-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617508199 373263204 /nfs/dbraw/zinc/26/32/04/373263204.db2.gz XHRDWDDKVCJXKL-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617508183 373263985 /nfs/dbraw/zinc/26/39/85/373263985.db2.gz WIRFTKOOIFIBBE-NSHDSACASA-N 2 1 323.463 -1.572 20 0 DAADMP CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617508183 373263991 /nfs/dbraw/zinc/26/39/91/373263991.db2.gz WIRFTKOOIFIBBE-NSHDSACASA-N 2 1 323.463 -1.572 20 0 DAADMP CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505782 373264094 /nfs/dbraw/zinc/26/40/94/373264094.db2.gz PXGSEWIQDQIQTN-NSHDSACASA-N 2 1 308.448 -1.076 20 0 DAADMP CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505782 373264105 /nfs/dbraw/zinc/26/41/05/373264105.db2.gz PXGSEWIQDQIQTN-NSHDSACASA-N 2 1 308.448 -1.076 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617506460 373264435 /nfs/dbraw/zinc/26/44/35/373264435.db2.gz OFSILVHZKPUJGI-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617506460 373264443 /nfs/dbraw/zinc/26/44/43/373264443.db2.gz OFSILVHZKPUJGI-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985907 373328752 /nfs/dbraw/zinc/32/87/52/373328752.db2.gz LFWPQMNGUKYBFG-STQMWFEESA-N 2 1 313.446 -1.066 20 0 DAADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945843 373304320 /nfs/dbraw/zinc/30/43/20/373304320.db2.gz YDUKZYUGXSLLDU-CQDKDKBSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945843 373304329 /nfs/dbraw/zinc/30/43/29/373304329.db2.gz YDUKZYUGXSLLDU-CQDKDKBSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000261964645 373330876 /nfs/dbraw/zinc/33/08/76/373330876.db2.gz AVTXROZLGKXDRD-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627386679 373316996 /nfs/dbraw/zinc/31/69/96/373316996.db2.gz UZADZJRBYYHJRH-GFCCVEGCSA-N 2 1 316.402 -1.743 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+]1CCOCC1 ZINC000419306985 373321079 /nfs/dbraw/zinc/32/10/79/373321079.db2.gz ZGZHMIBGACITST-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000419901055 373322212 /nfs/dbraw/zinc/32/22/12/373322212.db2.gz UEGVOSFWCPBXKY-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000419901055 373322223 /nfs/dbraw/zinc/32/22/23/373322223.db2.gz UEGVOSFWCPBXKY-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP COCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N(C)C ZINC000261964645 373330887 /nfs/dbraw/zinc/33/08/87/373330887.db2.gz AVTXROZLGKXDRD-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420191713 373324031 /nfs/dbraw/zinc/32/40/31/373324031.db2.gz HKHMSFOHNYAMEV-ZDUSSCGKSA-N 2 1 310.398 -1.355 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000420204071 373324189 /nfs/dbraw/zinc/32/41/89/373324189.db2.gz RYEQSUBWKGCXSV-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000420204071 373324192 /nfs/dbraw/zinc/32/41/92/373324192.db2.gz RYEQSUBWKGCXSV-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419874923 373324788 /nfs/dbraw/zinc/32/47/88/373324788.db2.gz WEJDKZXQGNSTPL-GFCCVEGCSA-N 2 1 312.414 -1.245 20 0 DAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000628584845 373374234 /nfs/dbraw/zinc/37/42/34/373374234.db2.gz MATXCLKJRLTJLO-KBPBESRZSA-N 2 1 323.441 -1.168 20 0 DAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628584845 373374242 /nfs/dbraw/zinc/37/42/42/373374242.db2.gz MATXCLKJRLTJLO-KBPBESRZSA-N 2 1 323.441 -1.168 20 0 DAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628584845 373374250 /nfs/dbraw/zinc/37/42/50/373374250.db2.gz MATXCLKJRLTJLO-KBPBESRZSA-N 2 1 323.441 -1.168 20 0 DAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000643513666 373374313 /nfs/dbraw/zinc/37/43/13/373374313.db2.gz XGTPOEGZOVYZFR-CQSZACIVSA-N 2 1 323.441 -1.343 20 0 DAADMP O=C([C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424021233 373347800 /nfs/dbraw/zinc/34/78/00/373347800.db2.gz BCTTWVCGOKHZKK-LLVKDONJSA-N 2 1 302.400 -1.816 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423646875 373349357 /nfs/dbraw/zinc/34/93/57/373349357.db2.gz QBRAIOKNZWLVGI-XQQFMLRXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423646875 373349364 /nfs/dbraw/zinc/34/93/64/373349364.db2.gz QBRAIOKNZWLVGI-XQQFMLRXSA-N 2 1 312.414 -1.150 20 0 DAADMP CCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424029079 373349617 /nfs/dbraw/zinc/34/96/17/373349617.db2.gz OVUCLXQPFNKFOS-NSHDSACASA-N 2 1 304.416 -1.440 20 0 DAADMP CN(CCOCC[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000626934064 373370346 /nfs/dbraw/zinc/37/03/46/373370346.db2.gz SKYOXRMFVKPQFB-UHFFFAOYSA-N 2 1 315.418 -1.233 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCOCCC[NH3+])CC1 ZINC000626933699 373371007 /nfs/dbraw/zinc/37/10/07/373371007.db2.gz NSKOBBGBKUGTMG-UHFFFAOYSA-N 2 1 315.418 -1.185 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000629795289 373405285 /nfs/dbraw/zinc/40/52/85/373405285.db2.gz ITRHSCCHLCWSMM-UHFFFAOYSA-N 2 1 300.403 -1.291 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000629811119 373411227 /nfs/dbraw/zinc/41/12/27/373411227.db2.gz BODKNSMQHWPPGV-TXEJJXNPSA-N 2 1 300.403 -1.293 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000629811119 373411234 /nfs/dbraw/zinc/41/12/34/373411234.db2.gz BODKNSMQHWPPGV-TXEJJXNPSA-N 2 1 300.403 -1.293 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000629819324 373414268 /nfs/dbraw/zinc/41/42/68/373414268.db2.gz JYGOWKCOEYOZJW-HNNXBMFYSA-N 2 1 312.414 -1.026 20 0 DAADMP COCC[C@H]([NH3+])Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837940 373419352 /nfs/dbraw/zinc/41/93/52/373419352.db2.gz ZQUAAOMGIUAQEY-LBPRGKRZSA-N 2 1 310.402 -1.042 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000641824967 373428252 /nfs/dbraw/zinc/42/82/52/373428252.db2.gz OVSQWOQTDKHZHN-LBPRGKRZSA-N 2 1 311.430 -1.360 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000641824967 373428265 /nfs/dbraw/zinc/42/82/65/373428265.db2.gz OVSQWOQTDKHZHN-LBPRGKRZSA-N 2 1 311.430 -1.360 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173956 373385126 /nfs/dbraw/zinc/38/51/26/373385126.db2.gz LLISRGCUCCIGHN-QWHCGFSZSA-N 2 1 312.414 -1.421 20 0 DAADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000183967762 373446113 /nfs/dbraw/zinc/44/61/13/373446113.db2.gz OVDXEJFGIIADHR-ZDUSSCGKSA-N 2 1 314.430 -1.173 20 0 DAADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238091 373521853 /nfs/dbraw/zinc/52/18/53/373521853.db2.gz FMFUVVYNFSHBRI-MJBXVCDLSA-N 2 1 323.441 -1.217 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000566197894 373523801 /nfs/dbraw/zinc/52/38/01/373523801.db2.gz SFIKTLXGSHBKAE-JTQLQIEISA-N 2 1 300.359 -1.843 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC000566197894 373523810 /nfs/dbraw/zinc/52/38/10/373523810.db2.gz SFIKTLXGSHBKAE-JTQLQIEISA-N 2 1 300.359 -1.843 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@H](C)[N@H+]1C ZINC000578994993 373586262 /nfs/dbraw/zinc/58/62/62/373586262.db2.gz JYUNBXCOIXCVGW-FRRDWIJNSA-N 2 1 311.430 -1.361 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@H](C)[N@@H+]1C ZINC000578994993 373586266 /nfs/dbraw/zinc/58/62/66/373586266.db2.gz JYUNBXCOIXCVGW-FRRDWIJNSA-N 2 1 311.430 -1.361 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000579091442 373586416 /nfs/dbraw/zinc/58/64/16/373586416.db2.gz VQCOYLIIHAFZDI-HZSPNIEDSA-N 2 1 313.446 -1.014 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000579091450 373586742 /nfs/dbraw/zinc/58/67/42/373586742.db2.gz VQCOYLIIHAFZDI-MELADBBJSA-N 2 1 313.446 -1.014 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@H](C)[N@H+]1C ZINC000578994994 373587129 /nfs/dbraw/zinc/58/71/29/373587129.db2.gz JYUNBXCOIXCVGW-XQQFMLRXSA-N 2 1 311.430 -1.361 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1C ZINC000578994994 373587138 /nfs/dbraw/zinc/58/71/38/373587138.db2.gz JYUNBXCOIXCVGW-XQQFMLRXSA-N 2 1 311.430 -1.361 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC000579092006 373587702 /nfs/dbraw/zinc/58/77/02/373587702.db2.gz GWLQVBDOLLJDJO-CYBMUJFWSA-N 2 1 311.430 -1.312 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000568373621 373545580 /nfs/dbraw/zinc/54/55/80/373545580.db2.gz OVUIEYBKOBQGIJ-YPMHNXCESA-N 2 1 309.414 -1.559 20 0 DAADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000569218716 373547257 /nfs/dbraw/zinc/54/72/57/373547257.db2.gz GJXSROZWBLGITM-ZDUSSCGKSA-N 2 1 313.446 -1.242 20 0 DAADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000569218715 373548336 /nfs/dbraw/zinc/54/83/36/373548336.db2.gz GJXSROZWBLGITM-CYBMUJFWSA-N 2 1 313.446 -1.242 20 0 DAADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000579942144 373595302 /nfs/dbraw/zinc/59/53/02/373595302.db2.gz CHHHSRVTVQNTCI-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000575812420 373566675 /nfs/dbraw/zinc/56/66/75/373566675.db2.gz LXMDBYCRSPTYIO-NEPJUHHUSA-N 2 1 309.432 -1.322 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577208870 373574191 /nfs/dbraw/zinc/57/41/91/373574191.db2.gz PIXGXNMWVBFHPE-MRVWCRGKSA-N 2 1 323.441 -1.313 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000627349165 373657338 /nfs/dbraw/zinc/65/73/38/373657338.db2.gz FGNKRGVBPFJLPP-GRYCIOLGSA-N 2 1 310.398 -1.168 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1CC[NH+](C)CC1 ZINC000618305709 373631235 /nfs/dbraw/zinc/63/12/35/373631235.db2.gz DVSYDBGVRARKFR-UHFFFAOYSA-N 2 1 313.446 -1.288 20 0 DAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313797 373646537 /nfs/dbraw/zinc/64/65/37/373646537.db2.gz MVZQYYQAEFHURS-OLZOCXBDSA-N 2 1 323.441 -1.251 20 0 DAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313797 373646550 /nfs/dbraw/zinc/64/65/50/373646550.db2.gz MVZQYYQAEFHURS-OLZOCXBDSA-N 2 1 323.441 -1.251 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334679 373648752 /nfs/dbraw/zinc/64/87/52/373648752.db2.gz XXSQJRIOMBDPRA-UHFFFAOYSA-N 2 1 313.446 -1.064 20 0 DAADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000622031107 373653753 /nfs/dbraw/zinc/65/37/53/373653753.db2.gz HNVSHZBNWDJRHL-OQMKEHIESA-N 2 1 322.409 -1.396 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000627346091 373653891 /nfs/dbraw/zinc/65/38/91/373653891.db2.gz DYTRMGKBHUPHOY-LBPRGKRZSA-N 2 1 300.403 -1.122 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627352901 373655136 /nfs/dbraw/zinc/65/51/36/373655136.db2.gz LXYRDCJLLXFAMY-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351197 373656142 /nfs/dbraw/zinc/65/61/42/373656142.db2.gz LVUPZMGXJGYDPW-UHFFFAOYSA-N 2 1 313.402 -1.926 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627352904 373656317 /nfs/dbraw/zinc/65/63/17/373656317.db2.gz LXYRDCJLLXFAMY-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627361357 373671598 /nfs/dbraw/zinc/67/15/98/373671598.db2.gz MKBMBLUZLKMYHX-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627446532 373678016 /nfs/dbraw/zinc/67/80/16/373678016.db2.gz OUYCGNVUHKYTKH-XQQFMLRXSA-N 2 1 322.409 -1.335 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000627461809 373678040 /nfs/dbraw/zinc/67/80/40/373678040.db2.gz ZVNBJIOSVLMLHB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000627464024 373679681 /nfs/dbraw/zinc/67/96/81/373679681.db2.gz PDKMLFPQNIZJHE-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH2+]C ZINC000627463333 373679843 /nfs/dbraw/zinc/67/98/43/373679843.db2.gz UPQZZSIMBOGSHY-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCOCC[NH2+]C ZINC000627463334 373680139 /nfs/dbraw/zinc/68/01/39/373680139.db2.gz UPQZZSIMBOGSHY-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000627470060 373682976 /nfs/dbraw/zinc/68/29/76/373682976.db2.gz KYMLUUHALDPQLJ-AGIUHOORSA-N 2 1 310.398 -1.356 20 0 DAADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476482 373683908 /nfs/dbraw/zinc/68/39/08/373683908.db2.gz GBUAMHWEPBHBMK-ZDEQEGDKSA-N 2 1 310.398 -1.480 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627504608 373688874 /nfs/dbraw/zinc/68/88/74/373688874.db2.gz XYGZHRBHHKYNII-QWHCGFSZSA-N 2 1 310.398 -1.355 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000633098547 373728679 /nfs/dbraw/zinc/72/86/79/373728679.db2.gz NGHMBSUMZTYGRC-AVGNSLFASA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000633098547 373728686 /nfs/dbraw/zinc/72/86/86/373728686.db2.gz NGHMBSUMZTYGRC-AVGNSLFASA-N 2 1 324.425 -1.137 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419770374 269712396 /nfs/dbraw/zinc/71/23/96/269712396.db2.gz WXOASPPZKLKRFP-UHFFFAOYSA-N 2 1 313.446 -1.144 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@@H+]1C ZINC001193103062 781994311 /nfs/dbraw/zinc/99/43/11/781994311.db2.gz SEVRIWXGGGABOJ-AAVRWANBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@H+]1C ZINC001193103062 781994320 /nfs/dbraw/zinc/99/43/20/781994320.db2.gz SEVRIWXGGGABOJ-AAVRWANBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001193103062 781994335 /nfs/dbraw/zinc/99/43/35/781994335.db2.gz SEVRIWXGGGABOJ-AAVRWANBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001193103062 781994344 /nfs/dbraw/zinc/99/43/44/781994344.db2.gz SEVRIWXGGGABOJ-AAVRWANBSA-N 2 1 315.414 -1.503 20 0 DAADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062920 545812480 /nfs/dbraw/zinc/81/24/80/545812480.db2.gz UYRNFXBCVSGHTF-QWHCGFSZSA-N 2 1 312.414 -1.326 20 0 DAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656305031 545819942 /nfs/dbraw/zinc/81/99/42/545819942.db2.gz NNIYTTCHZRLXDQ-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380815 545829560 /nfs/dbraw/zinc/82/95/60/545829560.db2.gz ZLTIHCKXVLWJBQ-OLZOCXBDSA-N 2 1 310.398 -1.309 20 0 DAADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000673352061 545865121 /nfs/dbraw/zinc/86/51/21/545865121.db2.gz QYOZTVGLYBMPQY-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092211 409328542 /nfs/dbraw/zinc/32/85/42/409328542.db2.gz YTMHVRVFMPMGAH-LLVKDONJSA-N 2 1 316.427 -1.570 20 0 DAADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131056 409328731 /nfs/dbraw/zinc/32/87/31/409328731.db2.gz WKZXSOXKAGJUBN-XEZPLFJOSA-N 2 1 322.409 -1.355 20 0 DAADMP O=C(C[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092172 409329727 /nfs/dbraw/zinc/32/97/27/409329727.db2.gz NXQBJTPREZCPIZ-LLVKDONJSA-N 2 1 316.427 -1.568 20 0 DAADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636746316 409386499 /nfs/dbraw/zinc/38/64/99/409386499.db2.gz GPNRJIZTIWPAGC-UONOGXRCSA-N 2 1 313.446 -1.012 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000423706435 409352454 /nfs/dbraw/zinc/35/24/54/409352454.db2.gz JFHHRIBJHAHIHK-TXEJJXNPSA-N 2 1 300.403 -1.422 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000423706435 409352462 /nfs/dbraw/zinc/35/24/62/409352462.db2.gz JFHHRIBJHAHIHK-TXEJJXNPSA-N 2 1 300.403 -1.422 20 0 DAADMP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647885648 409402096 /nfs/dbraw/zinc/40/20/96/409402096.db2.gz AQRMNMMUJYSSFF-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332591653 409461838 /nfs/dbraw/zinc/46/18/38/409461838.db2.gz GFPLJESYNFIUMI-AGIUHOORSA-N 2 1 310.398 -1.132 20 0 DAADMP CN(CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799739 409472476 /nfs/dbraw/zinc/47/24/76/409472476.db2.gz GFAROQROOKXRMR-MQYQWHSLSA-N 2 1 316.398 -1.614 20 0 DAADMP COCC[NH2+]CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430799523 409569898 /nfs/dbraw/zinc/56/98/98/409569898.db2.gz LQYAAVIWCBHTIG-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512044 409564172 /nfs/dbraw/zinc/56/41/72/409564172.db2.gz CTPNMVYJBSYVBO-RFQIPJPRSA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512044 409564188 /nfs/dbraw/zinc/56/41/88/409564188.db2.gz CTPNMVYJBSYVBO-RFQIPJPRSA-N 2 1 324.425 -1.422 20 0 DAADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615787 409567449 /nfs/dbraw/zinc/56/74/49/409567449.db2.gz DCRDFJJVBISMCK-LLVKDONJSA-N 2 1 311.386 -1.285 20 0 DAADMP Cn1c2ncn(CC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000359313371 409499842 /nfs/dbraw/zinc/49/98/42/409499842.db2.gz VUYWVWAXDUJALU-QWRGUYRKSA-N 2 1 318.381 -1.415 20 0 DAADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724281 409500481 /nfs/dbraw/zinc/50/04/81/409500481.db2.gz QRMHSXYDCCBNTD-UKRRQHHQSA-N 2 1 313.446 -1.012 20 0 DAADMP CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372098 409507697 /nfs/dbraw/zinc/50/76/97/409507697.db2.gz PQCYHIUWFAGIRD-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000430940929 409567963 /nfs/dbraw/zinc/56/79/63/409567963.db2.gz SIHXUQCEQRWWJB-NSHDSACASA-N 2 1 306.432 -1.335 20 0 DAADMP CN(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000430940929 409567967 /nfs/dbraw/zinc/56/79/67/409567967.db2.gz SIHXUQCEQRWWJB-NSHDSACASA-N 2 1 306.432 -1.335 20 0 DAADMP Cn1c2ncn(CC[N@H+]3CC[C@@H](C[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430922141 409568112 /nfs/dbraw/zinc/56/81/12/409568112.db2.gz XPOHQRSAFVEIFP-JTQLQIEISA-N 2 1 306.370 -1.286 20 0 DAADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000370293407 409512702 /nfs/dbraw/zinc/51/27/02/409512702.db2.gz FRWIUXNFLWJSST-XQQFMLRXSA-N 2 1 310.398 -1.085 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621230 409568361 /nfs/dbraw/zinc/56/83/61/409568361.db2.gz CLJKZDAWGPUXSE-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)[C@H](C[NH3+])C1 ZINC000514667990 409524006 /nfs/dbraw/zinc/52/40/06/409524006.db2.gz XOFADHDLXXAZFW-CQSZACIVSA-N 2 1 323.441 -1.358 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000514667989 409525525 /nfs/dbraw/zinc/52/55/25/409525525.db2.gz XOFADHDLXXAZFW-AWEZNQCLSA-N 2 1 323.441 -1.358 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423381697 409544135 /nfs/dbraw/zinc/54/41/35/409544135.db2.gz NWUOVNHHYHKGLB-QWHCGFSZSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000423381697 409544146 /nfs/dbraw/zinc/54/41/46/409544146.db2.gz NWUOVNHHYHKGLB-QWHCGFSZSA-N 2 1 312.414 -1.029 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430801239 409571222 /nfs/dbraw/zinc/57/12/22/409571222.db2.gz YHFCAWCNWBZNAD-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659755678 409698013 /nfs/dbraw/zinc/69/80/13/409698013.db2.gz KSBZLQIVPAESPH-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC(C)[NH2+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578064 409712896 /nfs/dbraw/zinc/71/28/96/409712896.db2.gz PVSSFMDIGMEEPI-UHFFFAOYSA-N 2 1 304.416 -1.570 20 0 DAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000649072687 409649216 /nfs/dbraw/zinc/64/92/16/409649216.db2.gz HFNTURGGXOZWLU-UONOGXRCSA-N 2 1 323.441 -1.045 20 0 DAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682655 409688398 /nfs/dbraw/zinc/68/83/98/409688398.db2.gz MVZQYYQAEFHURS-QWHCGFSZSA-N 2 1 323.441 -1.251 20 0 DAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682655 409688406 /nfs/dbraw/zinc/68/84/06/409688406.db2.gz MVZQYYQAEFHURS-QWHCGFSZSA-N 2 1 323.441 -1.251 20 0 DAADMP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCOCC1 ZINC000659692648 409690289 /nfs/dbraw/zinc/69/02/89/409690289.db2.gz UPHFFGJFWUNWAA-FUJMWEONSA-N 2 1 324.425 -1.061 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@H+](C)CCO1 ZINC000659696163 409690923 /nfs/dbraw/zinc/69/09/23/409690923.db2.gz JQQSKCLYSXLOKU-BVWOZKJXSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659696163 409690934 /nfs/dbraw/zinc/69/09/34/409690934.db2.gz JQQSKCLYSXLOKU-BVWOZKJXSA-N 2 1 310.398 -1.229 20 0 DAADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662767716 409717418 /nfs/dbraw/zinc/71/74/18/409717418.db2.gz YWAUDWPRTXWZRT-AGIUHOORSA-N 2 1 310.398 -1.227 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662747530 409717990 /nfs/dbraw/zinc/71/79/90/409717990.db2.gz WXUYKSWVHTVAKH-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662767719 409718375 /nfs/dbraw/zinc/71/83/75/409718375.db2.gz YWAUDWPRTXWZRT-UPJWGTAASA-N 2 1 310.398 -1.227 20 0 DAADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662767721 409719265 /nfs/dbraw/zinc/71/92/65/409719265.db2.gz YWAUDWPRTXWZRT-XQQFMLRXSA-N 2 1 310.398 -1.227 20 0 DAADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000351553286 263217411 /nfs/dbraw/zinc/21/74/11/263217411.db2.gz AOVZWQJLBKYYRZ-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000430653743 263220923 /nfs/dbraw/zinc/22/09/23/263220923.db2.gz ZMVRBZXUNIZJBV-AWEZNQCLSA-N 2 1 324.425 -1.011 20 0 DAADMP C[NH2+][C@@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331954472 263224895 /nfs/dbraw/zinc/22/48/95/263224895.db2.gz INRDGDVVAZMFAJ-JTQLQIEISA-N 2 1 319.431 -1.777 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C ZINC000332249019 263230567 /nfs/dbraw/zinc/23/05/67/263230567.db2.gz AAYOYINABODJRO-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423657036 263233051 /nfs/dbraw/zinc/23/30/51/263233051.db2.gz YABFCWHGNUESTN-GFCCVEGCSA-N 2 1 312.414 -1.149 20 0 DAADMP CC(C)CN1CCO[C@@H](CNC(=O)CN(CCO)CCO)C1 ZINC000355507306 263238154 /nfs/dbraw/zinc/23/81/54/263238154.db2.gz NKBCXHYYMWFIPT-AWEZNQCLSA-N 2 1 317.430 -1.254 20 0 DAADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424036685 263248551 /nfs/dbraw/zinc/24/85/51/263248551.db2.gz FIPDYOFJRPUUJA-UWVGGRQHSA-N 2 1 304.416 -1.585 20 0 DAADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046818 263254676 /nfs/dbraw/zinc/25/46/76/263254676.db2.gz WKNJHIKYLQKOKO-NSHDSACASA-N 2 1 316.427 -1.426 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000358070124 263255053 /nfs/dbraw/zinc/25/50/53/263255053.db2.gz UKXNOCBRWLKXKS-WFASDCNBSA-N 2 1 312.414 -1.421 20 0 DAADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000515059978 263266901 /nfs/dbraw/zinc/26/69/01/263266901.db2.gz AVXKLCGCYWBMRL-VIFPVBQESA-N 2 1 323.397 -1.092 20 0 DAADMP O=C([C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000428624529 263274777 /nfs/dbraw/zinc/27/47/77/263274777.db2.gz IUDUSWAFTFTATK-OLZOCXBDSA-N 2 1 310.398 -1.355 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419445220 263296702 /nfs/dbraw/zinc/29/67/02/263296702.db2.gz DPAWZLLIAUEBMD-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CNC(=O)CN)CC1 ZINC000347702686 263297679 /nfs/dbraw/zinc/29/76/79/263297679.db2.gz UFYLDLSGTMZARB-JTQLQIEISA-N 2 1 311.386 -2.127 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420191712 263308110 /nfs/dbraw/zinc/30/81/10/263308110.db2.gz HKHMSFOHNYAMEV-CYBMUJFWSA-N 2 1 310.398 -1.355 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357930959 263313073 /nfs/dbraw/zinc/31/30/73/263313073.db2.gz WCFORBFNTCSUGC-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000358070122 263316034 /nfs/dbraw/zinc/31/60/34/263316034.db2.gz UKXNOCBRWLKXKS-SWLSCSKDSA-N 2 1 312.414 -1.421 20 0 DAADMP [NH3+][C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCC1 ZINC000424036448 263319251 /nfs/dbraw/zinc/31/92/51/263319251.db2.gz FEFYFJPCHVRCAM-GFCCVEGCSA-N 2 1 316.427 -1.440 20 0 DAADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001195849534 782082256 /nfs/dbraw/zinc/08/22/56/782082256.db2.gz AYHUVYOSEZUNRL-ZIAGYGMSSA-N 2 1 322.409 -1.002 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829593 782084472 /nfs/dbraw/zinc/08/44/72/782084472.db2.gz QHYVLFYDMLJUNH-BFHYXJOUSA-N 2 1 315.414 -1.503 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000584184006 331859812 /nfs/dbraw/zinc/85/98/12/331859812.db2.gz IAYHDMDRAGETAY-UHFFFAOYSA-N 2 1 313.402 -1.926 20 0 DAADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000561223414 332426222 /nfs/dbraw/zinc/42/62/22/332426222.db2.gz PVUCCHBIRKBKQO-KGLIPLIRSA-N 2 1 313.446 -1.012 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001196268315 782095860 /nfs/dbraw/zinc/09/58/60/782095860.db2.gz RDGSAXKRDXQRSG-QNWHQSFQSA-N 2 1 303.403 -1.505 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000582231682 336285880 /nfs/dbraw/zinc/28/58/80/336285880.db2.gz IYROZVDOQYXWKH-GFCCVEGCSA-N 2 1 323.397 -2.161 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001196268450 782096333 /nfs/dbraw/zinc/09/63/33/782096333.db2.gz UGTNQVVMVWIEDO-FRRDWIJNSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001196268450 782096339 /nfs/dbraw/zinc/09/63/39/782096339.db2.gz UGTNQVVMVWIEDO-FRRDWIJNSA-N 2 1 303.403 -1.503 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000582853790 337210672 /nfs/dbraw/zinc/21/06/72/337210672.db2.gz LXLKULGJCFIQBQ-CQSZACIVSA-N 2 1 316.446 -1.369 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420071373 337495209 /nfs/dbraw/zinc/49/52/09/337495209.db2.gz XSNBGYMSLIAJMM-LBPRGKRZSA-N 2 1 312.414 -1.245 20 0 DAADMP CNC(=O)[C@@H](C)C[NH+](C)CC(O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000248733532 341385399 /nfs/dbraw/zinc/38/53/99/341385399.db2.gz LZYOVHCSMZWUDE-RYUDHWBXSA-N 2 1 316.446 -1.025 20 0 DAADMP CNC(=O)[C@@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000248733532 341385400 /nfs/dbraw/zinc/38/54/00/341385400.db2.gz LZYOVHCSMZWUDE-RYUDHWBXSA-N 2 1 316.446 -1.025 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1 ZINC000576934947 341870564 /nfs/dbraw/zinc/87/05/64/341870564.db2.gz SNZLIEUUNLZRJN-ZDUSSCGKSA-N 2 1 313.446 -1.242 20 0 DAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319401 782128435 /nfs/dbraw/zinc/12/84/35/782128435.db2.gz DCHJVDMAGASTGH-MRVWCRGKSA-N 2 1 315.414 -1.361 20 0 DAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319400 782129776 /nfs/dbraw/zinc/12/97/76/782129776.db2.gz DCHJVDMAGASTGH-IACUBPJLSA-N 2 1 315.414 -1.361 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001197536508 782133798 /nfs/dbraw/zinc/13/37/98/782133798.db2.gz WEDSTUXYCPFDPI-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001197536508 782133802 /nfs/dbraw/zinc/13/38/02/782133802.db2.gz WEDSTUXYCPFDPI-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001197536508 782133810 /nfs/dbraw/zinc/13/38/10/782133810.db2.gz WEDSTUXYCPFDPI-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001197536507 782134923 /nfs/dbraw/zinc/13/49/23/782134923.db2.gz WEDSTUXYCPFDPI-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197536507 782134927 /nfs/dbraw/zinc/13/49/27/782134927.db2.gz WEDSTUXYCPFDPI-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197536507 782134933 /nfs/dbraw/zinc/13/49/33/782134933.db2.gz WEDSTUXYCPFDPI-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819566 782141854 /nfs/dbraw/zinc/14/18/54/782141854.db2.gz GNLQMJOYFRLROE-CHWSQXEVSA-N 2 1 313.398 -1.748 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819566 782141858 /nfs/dbraw/zinc/14/18/58/782141858.db2.gz GNLQMJOYFRLROE-CHWSQXEVSA-N 2 1 313.398 -1.748 20 0 DAADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826016 782141699 /nfs/dbraw/zinc/14/16/99/782141699.db2.gz MDYGCNBGKCSMIN-YNEHKIRRSA-N 2 1 303.403 -1.239 20 0 DAADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825780 782142951 /nfs/dbraw/zinc/14/29/51/782142951.db2.gz IJCNBYMZHHNHPN-JHJVBQTASA-N 2 1 303.403 -1.239 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001198029278 782147867 /nfs/dbraw/zinc/14/78/67/782147867.db2.gz SAWMJKLBLVZQDY-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001198029278 782147873 /nfs/dbraw/zinc/14/78/73/782147873.db2.gz SAWMJKLBLVZQDY-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198029278 782147877 /nfs/dbraw/zinc/14/78/77/782147877.db2.gz SAWMJKLBLVZQDY-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198029278 782147881 /nfs/dbraw/zinc/14/78/81/782147881.db2.gz SAWMJKLBLVZQDY-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445200 782153438 /nfs/dbraw/zinc/15/34/38/782153438.db2.gz DDMREHODHOFMBJ-SNVBAGLBSA-N 2 1 301.391 -1.124 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152433168 782154251 /nfs/dbraw/zinc/15/42/51/782154251.db2.gz WEQCMTSCHXGXJQ-UHFFFAOYSA-N 2 1 308.448 -1.028 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198654290 782159123 /nfs/dbraw/zinc/15/91/23/782159123.db2.gz RPXCWVJIIWBVNQ-YNEHKIRRSA-N 2 1 301.387 -1.892 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198654290 782159125 /nfs/dbraw/zinc/15/91/25/782159125.db2.gz RPXCWVJIIWBVNQ-YNEHKIRRSA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001198654290 782159129 /nfs/dbraw/zinc/15/91/29/782159129.db2.gz RPXCWVJIIWBVNQ-YNEHKIRRSA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001198654290 782159130 /nfs/dbraw/zinc/15/91/30/782159130.db2.gz RPXCWVJIIWBVNQ-YNEHKIRRSA-N 2 1 301.387 -1.892 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@H]2O)C1 ZINC001198847595 782165211 /nfs/dbraw/zinc/16/52/11/782165211.db2.gz ACHQTHSVNQYFEB-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@H]2O)C1 ZINC001198847595 782165218 /nfs/dbraw/zinc/16/52/18/782165218.db2.gz ACHQTHSVNQYFEB-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@H]2O)C1 ZINC001198847595 782165228 /nfs/dbraw/zinc/16/52/28/782165228.db2.gz ACHQTHSVNQYFEB-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)C1 ZINC001198847595 782165233 /nfs/dbraw/zinc/16/52/33/782165233.db2.gz ACHQTHSVNQYFEB-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@H]2O)C1 ZINC001198847596 782165618 /nfs/dbraw/zinc/16/56/18/782165618.db2.gz ACHQTHSVNQYFEB-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@H]2O)C1 ZINC001198847596 782165625 /nfs/dbraw/zinc/16/56/25/782165625.db2.gz ACHQTHSVNQYFEB-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@H]2O)C1 ZINC001198847596 782165630 /nfs/dbraw/zinc/16/56/30/782165630.db2.gz ACHQTHSVNQYFEB-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)C1 ZINC001198847596 782165637 /nfs/dbraw/zinc/16/56/37/782165637.db2.gz ACHQTHSVNQYFEB-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000520647653 545721285 /nfs/dbraw/zinc/72/12/85/545721285.db2.gz YQNQJFCICAUYSD-STQMWFEESA-N 2 1 313.446 -1.195 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351558700 545722790 /nfs/dbraw/zinc/72/27/90/545722790.db2.gz NEIYOXVIRLCUBF-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000351553052 545723435 /nfs/dbraw/zinc/72/34/35/545723435.db2.gz CWVDLUMAPDFNJM-RWMBFGLXSA-N 2 1 312.414 -1.232 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331635557 545726498 /nfs/dbraw/zinc/72/64/98/545726498.db2.gz UALUTFNHCIEVQH-AWEZNQCLSA-N 2 1 323.441 -1.296 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331635557 545726505 /nfs/dbraw/zinc/72/65/05/545726505.db2.gz UALUTFNHCIEVQH-AWEZNQCLSA-N 2 1 323.441 -1.296 20 0 DAADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000331577045 545727411 /nfs/dbraw/zinc/72/74/11/545727411.db2.gz WHRIIWKOMQPMNU-KBPBESRZSA-N 2 1 323.441 -1.297 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332010442 545728756 /nfs/dbraw/zinc/72/87/56/545728756.db2.gz JXWWHTALWRBQSO-QWHCGFSZSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332010442 545728761 /nfs/dbraw/zinc/72/87/61/545728761.db2.gz JXWWHTALWRBQSO-QWHCGFSZSA-N 2 1 310.398 -1.212 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332087861 545729088 /nfs/dbraw/zinc/72/90/88/545729088.db2.gz JDCYAWGFARQCNX-KGLIPLIRSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332087861 545729091 /nfs/dbraw/zinc/72/90/91/545729091.db2.gz JDCYAWGFARQCNX-KGLIPLIRSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332087861 545729093 /nfs/dbraw/zinc/72/90/93/545729093.db2.gz JDCYAWGFARQCNX-KGLIPLIRSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000332087862 545729692 /nfs/dbraw/zinc/72/96/92/545729692.db2.gz JDCYAWGFARQCNX-UONOGXRCSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332087862 545729701 /nfs/dbraw/zinc/72/97/01/545729701.db2.gz JDCYAWGFARQCNX-UONOGXRCSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332087862 545729710 /nfs/dbraw/zinc/72/97/10/545729710.db2.gz JDCYAWGFARQCNX-UONOGXRCSA-N 2 1 323.441 -1.345 20 0 DAADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000377433015 545756560 /nfs/dbraw/zinc/75/65/60/545756560.db2.gz RFUFJNWPUZJCEA-UHFFFAOYSA-N 2 1 324.425 -1.011 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000418925995 545765343 /nfs/dbraw/zinc/76/53/43/545765343.db2.gz QZQQQHLSNPAIGG-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[C@@](C)([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035194 545775849 /nfs/dbraw/zinc/77/58/49/545775849.db2.gz CIOTUSGDSMLWOU-CYBMUJFWSA-N 2 1 318.443 -1.050 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000656019595 545809432 /nfs/dbraw/zinc/80/94/32/545809432.db2.gz HCGJACPQIWQMBF-XDQVBPFNSA-N 2 1 324.425 -1.232 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000656019596 545809995 /nfs/dbraw/zinc/80/99/95/545809995.db2.gz HCGJACPQIWQMBF-YIYPIFLZSA-N 2 1 324.425 -1.232 20 0 DAADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102969 545815182 /nfs/dbraw/zinc/81/51/82/545815182.db2.gz RMZNBPYTJMUURU-RWMBFGLXSA-N 2 1 310.398 -1.396 20 0 DAADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656286705 545816689 /nfs/dbraw/zinc/81/66/89/545816689.db2.gz PRKCYKAUCFZMPG-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104142 545817075 /nfs/dbraw/zinc/81/70/75/545817075.db2.gz IKOORLSQQZJFOK-ZOBORPQBSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000656103964 545817725 /nfs/dbraw/zinc/81/77/25/545817725.db2.gz DOIMYUPAOATABB-FQUUOJAGSA-N 2 1 322.409 -1.526 20 0 DAADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104180 545818055 /nfs/dbraw/zinc/81/80/55/545818055.db2.gz JFQPVFWKCVEREI-UONOGXRCSA-N 2 1 324.425 -1.149 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656308812 545819801 /nfs/dbraw/zinc/81/98/01/545819801.db2.gz IFDGJAYVHYZPQT-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656308812 545819809 /nfs/dbraw/zinc/81/98/09/545819809.db2.gz IFDGJAYVHYZPQT-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656308812 545819819 /nfs/dbraw/zinc/81/98/19/545819819.db2.gz IFDGJAYVHYZPQT-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316181 545820287 /nfs/dbraw/zinc/82/02/87/545820287.db2.gz PVHLLXRNUPPVNE-XDQVBPFNSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316181 545820291 /nfs/dbraw/zinc/82/02/91/545820291.db2.gz PVHLLXRNUPPVNE-XDQVBPFNSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316181 545820294 /nfs/dbraw/zinc/82/02/94/545820294.db2.gz PVHLLXRNUPPVNE-XDQVBPFNSA-N 2 1 324.425 -1.137 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671551791 545837884 /nfs/dbraw/zinc/83/78/84/545837884.db2.gz OENQMEASJZCESY-HNNXBMFYSA-N 2 1 322.413 -1.121 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671551791 545837888 /nfs/dbraw/zinc/83/78/88/545837888.db2.gz OENQMEASJZCESY-HNNXBMFYSA-N 2 1 322.413 -1.121 20 0 DAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662907719 545839731 /nfs/dbraw/zinc/83/97/31/545839731.db2.gz VZSGRANPXDBJOE-STQMWFEESA-N 2 1 309.414 -1.639 20 0 DAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662907716 545840112 /nfs/dbraw/zinc/84/01/12/545840112.db2.gz VZSGRANPXDBJOE-CHWSQXEVSA-N 2 1 309.414 -1.639 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000662928991 545842356 /nfs/dbraw/zinc/84/23/56/545842356.db2.gz WKYHMYSBJUEAJX-UHFFFAOYSA-N 2 1 300.403 -1.291 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672597110 545863742 /nfs/dbraw/zinc/86/37/42/545863742.db2.gz NIQSCNISPYCANN-CHWSQXEVSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672597110 545863746 /nfs/dbraw/zinc/86/37/46/545863746.db2.gz NIQSCNISPYCANN-CHWSQXEVSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672597110 545863747 /nfs/dbraw/zinc/86/37/47/545863747.db2.gz NIQSCNISPYCANN-CHWSQXEVSA-N 2 1 311.430 -1.441 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001199112043 782171205 /nfs/dbraw/zinc/17/12/05/782171205.db2.gz YMUOHOUPKWYMBZ-CHWSQXEVSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001199112043 782171212 /nfs/dbraw/zinc/17/12/12/782171212.db2.gz YMUOHOUPKWYMBZ-CHWSQXEVSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199112043 782171222 /nfs/dbraw/zinc/17/12/22/782171222.db2.gz YMUOHOUPKWYMBZ-CHWSQXEVSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199112043 782171229 /nfs/dbraw/zinc/17/12/29/782171229.db2.gz YMUOHOUPKWYMBZ-CHWSQXEVSA-N 2 1 303.403 -1.503 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001199943840 782188205 /nfs/dbraw/zinc/18/82/05/782188205.db2.gz SCUYEBPCWZJTLE-AWEZNQCLSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001199943840 782188214 /nfs/dbraw/zinc/18/82/14/782188214.db2.gz SCUYEBPCWZJTLE-AWEZNQCLSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911232611 663140488 /nfs/dbraw/zinc/14/04/88/663140488.db2.gz YHGZWAFTSWZCGW-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC(=O)NCC(F)(F)F ZINC000923463895 663697770 /nfs/dbraw/zinc/69/77/70/663697770.db2.gz HXFKLDVHFJYPSB-UHFFFAOYSA-N 2 1 311.308 -1.131 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028542 662311544 /nfs/dbraw/zinc/31/15/44/662311544.db2.gz PWUXNSSJZNSHBE-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028542 662311548 /nfs/dbraw/zinc/31/15/48/662311548.db2.gz PWUXNSSJZNSHBE-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028542 662311551 /nfs/dbraw/zinc/31/15/51/662311551.db2.gz PWUXNSSJZNSHBE-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028542 662311554 /nfs/dbraw/zinc/31/15/54/662311554.db2.gz PWUXNSSJZNSHBE-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969409158 662315095 /nfs/dbraw/zinc/31/50/95/662315095.db2.gz ZSEGJUQYJDFQEW-OOLXCHQQSA-N 2 1 308.382 -1.475 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000969547432 662322175 /nfs/dbraw/zinc/32/21/75/662322175.db2.gz RAFMBLAXWYYQGI-SYQHCUMBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000970713956 662368453 /nfs/dbraw/zinc/36/84/53/662368453.db2.gz AMNOZKQFZGDIII-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928404 662383099 /nfs/dbraw/zinc/38/30/99/662383099.db2.gz PQMAVPXEDZPTMV-QNWHQSFQSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928404 662383102 /nfs/dbraw/zinc/38/31/02/662383102.db2.gz PQMAVPXEDZPTMV-QNWHQSFQSA-N 2 1 310.398 -1.216 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926293766 662392136 /nfs/dbraw/zinc/39/21/36/662392136.db2.gz BTHBJYUTQZAWQO-UHFFFAOYSA-N 2 1 311.430 -1.438 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926335901 662397249 /nfs/dbraw/zinc/39/72/49/662397249.db2.gz CFTLJQCQIAFGPI-XJKCOSOUSA-N 2 1 324.425 -1.006 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926398487 662403368 /nfs/dbraw/zinc/40/33/68/662403368.db2.gz VSCRNOLMLDJZIV-ZIAGYGMSSA-N 2 1 323.441 -1.440 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H](C)[N@H+]1C ZINC000926413401 662405431 /nfs/dbraw/zinc/40/54/31/662405431.db2.gz OSOLPLPCVXJCAR-ZOWXZIJZSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H](C)[N@@H+]1C ZINC000926413401 662405435 /nfs/dbraw/zinc/40/54/35/662405435.db2.gz OSOLPLPCVXJCAR-ZOWXZIJZSA-N 2 1 312.414 -1.150 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023115356 662431359 /nfs/dbraw/zinc/43/13/59/662431359.db2.gz ILLPDEHMJTUTPY-YVECIDJPSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023115356 662431360 /nfs/dbraw/zinc/43/13/60/662431360.db2.gz ILLPDEHMJTUTPY-YVECIDJPSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708517 662527451 /nfs/dbraw/zinc/52/74/51/662527451.db2.gz UHTJGBJGGGSQPA-XJBAAKRRSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708517 662527454 /nfs/dbraw/zinc/52/74/54/662527454.db2.gz UHTJGBJGGGSQPA-XJBAAKRRSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708517 662527456 /nfs/dbraw/zinc/52/74/56/662527456.db2.gz UHTJGBJGGGSQPA-XJBAAKRRSA-N 2 1 320.393 -1.068 20 0 DAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000314238991 662533898 /nfs/dbraw/zinc/53/38/98/662533898.db2.gz XCKWPLHGONRSRW-AGIUHOORSA-N 2 1 319.427 -1.243 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000978626573 662615146 /nfs/dbraw/zinc/61/51/46/662615146.db2.gz FMZIWLMKOKOKBK-YIYPIFLZSA-N 2 1 324.425 -1.125 20 0 DAADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000978626573 662615147 /nfs/dbraw/zinc/61/51/47/662615147.db2.gz FMZIWLMKOKOKBK-YIYPIFLZSA-N 2 1 324.425 -1.125 20 0 DAADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000978626573 662615148 /nfs/dbraw/zinc/61/51/48/662615148.db2.gz FMZIWLMKOKOKBK-YIYPIFLZSA-N 2 1 324.425 -1.125 20 0 DAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931879616 662646703 /nfs/dbraw/zinc/64/67/03/662646703.db2.gz TULBQHCCIHJUMU-ZDUSSCGKSA-N 3 1 313.446 -1.242 20 0 DAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931879616 662646705 /nfs/dbraw/zinc/64/67/05/662646705.db2.gz TULBQHCCIHJUMU-ZDUSSCGKSA-N 3 1 313.446 -1.242 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)CC1=O ZINC000924984637 662692240 /nfs/dbraw/zinc/69/22/40/662692240.db2.gz WTXYLFMMGHGWGR-UPJWGTAASA-N 2 1 312.414 -1.422 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+](C)CCO)CC1=O ZINC000925007353 662694131 /nfs/dbraw/zinc/69/41/31/662694131.db2.gz OCYMQHQUZFEGSK-GFCCVEGCSA-N 2 1 300.403 -1.563 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000983392051 662694137 /nfs/dbraw/zinc/69/41/37/662694137.db2.gz SFPCOLFGMFSFQU-CYDGBPFRSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000983392051 662694139 /nfs/dbraw/zinc/69/41/39/662694139.db2.gz SFPCOLFGMFSFQU-CYDGBPFRSA-N 2 1 310.398 -1.310 20 0 DAADMP Cn1[nH]c(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984888 662694837 /nfs/dbraw/zinc/69/48/37/662694837.db2.gz FWZYVCCIIXJQFP-NWDGAFQWSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001028984888 662694843 /nfs/dbraw/zinc/69/48/43/662694843.db2.gz FWZYVCCIIXJQFP-NWDGAFQWSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984888 662694845 /nfs/dbraw/zinc/69/48/45/662694845.db2.gz FWZYVCCIIXJQFP-NWDGAFQWSA-N 2 1 322.413 -1.002 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617105 662767564 /nfs/dbraw/zinc/76/75/64/662767564.db2.gz LHGUCSZTCLGVQR-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617105 662767567 /nfs/dbraw/zinc/76/75/67/662767567.db2.gz LHGUCSZTCLGVQR-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990617105 662767571 /nfs/dbraw/zinc/76/75/71/662767571.db2.gz LHGUCSZTCLGVQR-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990617105 662767576 /nfs/dbraw/zinc/76/75/76/662767576.db2.gz LHGUCSZTCLGVQR-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685714 662778732 /nfs/dbraw/zinc/77/87/32/662778732.db2.gz VCVDFQKNWPBEMN-IUODEOHRSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685714 662778733 /nfs/dbraw/zinc/77/87/33/662778733.db2.gz VCVDFQKNWPBEMN-IUODEOHRSA-N 2 1 312.414 -1.278 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1[NH3+] ZINC000903770610 662790362 /nfs/dbraw/zinc/79/03/62/662790362.db2.gz HMPRSKSWAHQESX-QJPTWQEYSA-N 2 1 310.398 -1.541 20 0 DAADMP CN(CCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903778141 662790570 /nfs/dbraw/zinc/79/05/70/662790570.db2.gz JGNHNZNGSHYTLY-OKILXGFUSA-N 2 1 324.425 -1.136 20 0 DAADMP CN(CCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903778141 662790574 /nfs/dbraw/zinc/79/05/74/662790574.db2.gz JGNHNZNGSHYTLY-OKILXGFUSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@]2(C)C1 ZINC000904968949 662792334 /nfs/dbraw/zinc/79/23/34/662792334.db2.gz QWUKQSNFASBYNS-CJNGLKHVSA-N 2 1 323.441 -1.582 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@]12CC[NH2+]C2 ZINC000905012874 662793074 /nfs/dbraw/zinc/79/30/74/662793074.db2.gz PDTNEJWLULZIGP-WOSRLPQWSA-N 2 1 322.409 -1.382 20 0 DAADMP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905006881 662793221 /nfs/dbraw/zinc/79/32/21/662793221.db2.gz FTAMQKODAAKDKZ-IATRGZMQSA-N 2 1 322.409 -1.396 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905012875 662793307 /nfs/dbraw/zinc/79/33/07/662793307.db2.gz PDTNEJWLULZIGP-ZENOOKHLSA-N 2 1 322.409 -1.382 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904987257 662793495 /nfs/dbraw/zinc/79/34/95/662793495.db2.gz OBJHUUUHMVWMTK-STQMWFEESA-N 2 1 312.414 -1.149 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904985752 662793523 /nfs/dbraw/zinc/79/35/23/662793523.db2.gz CPMKYAXXTUEGEV-YNEHKIRRSA-N 2 1 312.414 -1.150 20 0 DAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985349 662793560 /nfs/dbraw/zinc/79/35/60/662793560.db2.gz ACFRJLTULFMHOJ-YNEHKIRRSA-N 2 1 310.398 -1.396 20 0 DAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985343 662793570 /nfs/dbraw/zinc/79/35/70/662793570.db2.gz ACFRJLTULFMHOJ-AVGNSLFASA-N 2 1 310.398 -1.396 20 0 DAADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904987616 662793841 /nfs/dbraw/zinc/79/38/41/662793841.db2.gz QGQMPYPZTDXBTH-XUXIUFHCSA-N 2 1 322.409 -1.383 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000905016559 662793869 /nfs/dbraw/zinc/79/38/69/662793869.db2.gz SMHKNZFFQNIGNJ-XJKSGUPXSA-N 2 1 324.425 -1.013 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904988098 662793935 /nfs/dbraw/zinc/79/39/35/662793935.db2.gz SMMNBVKESZPRSH-MJBXVCDLSA-N 2 1 324.425 -1.136 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986063 662794159 /nfs/dbraw/zinc/79/41/59/662794159.db2.gz FMOKXWLEDVZMLE-OLZOCXBDSA-N 2 1 312.414 -1.149 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000905022391 662794276 /nfs/dbraw/zinc/79/42/76/662794276.db2.gz QSSRXIARNUYLDF-MELADBBJSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905109978 662794397 /nfs/dbraw/zinc/79/43/97/662794397.db2.gz LDOOSOLBQZSBOB-ZDUSSCGKSA-N 2 1 315.414 -1.358 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911029503 663135701 /nfs/dbraw/zinc/13/57/01/663135701.db2.gz CLFSOHBURIDUBO-BBRMVZONSA-N 2 1 323.441 -1.297 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911031293 663135844 /nfs/dbraw/zinc/13/58/44/663135844.db2.gz PIEROBRLPIUEEG-NEPJUHHUSA-N 2 1 311.430 -1.537 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911032385 663135952 /nfs/dbraw/zinc/13/59/52/663135952.db2.gz UDLBDCVKTUXHEX-RYUDHWBXSA-N 2 1 311.430 -1.456 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911072702 663136449 /nfs/dbraw/zinc/13/64/49/663136449.db2.gz NDDWIBUIRCVZGQ-DGCLKSJQSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000911071694 663136486 /nfs/dbraw/zinc/13/64/86/663136486.db2.gz CZFKCCONUXYUPQ-CYBMUJFWSA-N 2 1 323.441 -1.121 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911072704 663136699 /nfs/dbraw/zinc/13/66/99/663136699.db2.gz NDDWIBUIRCVZGQ-YPMHNXCESA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911148478 663137238 /nfs/dbraw/zinc/13/72/38/663137238.db2.gz PESLKOBAYMIASG-RQJABVFESA-N 2 1 324.425 -1.063 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911147816 663137311 /nfs/dbraw/zinc/13/73/11/663137311.db2.gz JQZFDONIBOBSID-XGFWRYKXSA-N 2 1 322.409 -1.025 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911147446 663137318 /nfs/dbraw/zinc/13/73/18/663137318.db2.gz HTJAZGNVYIGXSZ-MROQNXINSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911147447 663137564 /nfs/dbraw/zinc/13/75/64/663137564.db2.gz HTJAZGNVYIGXSZ-YVECIDJPSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911146270 663137816 /nfs/dbraw/zinc/13/78/16/663137816.db2.gz KPPGGZYHXNBDLH-TZMCWYRMSA-N 2 1 323.441 -1.393 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911155779 663138073 /nfs/dbraw/zinc/13/80/73/663138073.db2.gz LLQWVCLUUCYSMJ-NSHDSACASA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911163605 663138130 /nfs/dbraw/zinc/13/81/30/663138130.db2.gz YEYQFQKZSUMGPO-XQHKEYJVSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163605 663138134 /nfs/dbraw/zinc/13/81/34/663138134.db2.gz YEYQFQKZSUMGPO-XQHKEYJVSA-N 2 1 312.414 -1.125 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911222738 663139483 /nfs/dbraw/zinc/13/94/83/663139483.db2.gz HKALTRXQRBZUCL-BBRMVZONSA-N 2 1 324.425 -1.101 20 0 DAADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911273200 663140249 /nfs/dbraw/zinc/14/02/49/663140249.db2.gz JFIRABHANKDHEM-RDBSUJKOSA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911273195 663140435 /nfs/dbraw/zinc/14/04/35/663140435.db2.gz JFIRABHANKDHEM-HZSPNIEDSA-N 2 1 324.425 -1.103 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911274354 663140554 /nfs/dbraw/zinc/14/05/54/663140554.db2.gz PBDHDTUUJMCERH-CJNGLKHVSA-N 2 1 323.441 -1.582 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911248166 663140563 /nfs/dbraw/zinc/14/05/63/663140563.db2.gz ULXBZELRWCHUQM-FRRDWIJNSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911269549 663140606 /nfs/dbraw/zinc/14/06/06/663140606.db2.gz LMMMQVSTRSSUHI-KGLIPLIRSA-N 2 1 323.441 -1.249 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911243734 663140672 /nfs/dbraw/zinc/14/06/72/663140672.db2.gz ZDXAMEFINCHECA-BFHYXJOUSA-N 2 1 324.425 -1.109 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248570 663140724 /nfs/dbraw/zinc/14/07/24/663140724.db2.gz XXBIWCCHTABPSX-OLZOCXBDSA-N 2 1 312.414 -1.203 20 0 DAADMP CCO[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[NH+](C)C ZINC000911304245 663140939 /nfs/dbraw/zinc/14/09/39/663140939.db2.gz BNDRUAFLAZKAEE-SECBINFHSA-N 2 1 310.345 -1.221 20 0 DAADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911296693 663141243 /nfs/dbraw/zinc/14/12/43/663141243.db2.gz KEOTYLURSAEZGF-RYUDHWBXSA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282984 663141622 /nfs/dbraw/zinc/14/16/22/663141622.db2.gz FPROWPDVGUUCPL-UONOGXRCSA-N 2 1 324.425 -1.088 20 0 DAADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911282477 663141710 /nfs/dbraw/zinc/14/17/10/663141710.db2.gz QZZWKCUTDWZGRR-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911338083 663142513 /nfs/dbraw/zinc/14/25/13/663142513.db2.gz XLNLSBODNOMAKU-ZDUSSCGKSA-N 2 1 311.430 -1.392 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000911373453 663143375 /nfs/dbraw/zinc/14/33/75/663143375.db2.gz DXFILRBAKILIHZ-VXGBXAGGSA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911366815 663143790 /nfs/dbraw/zinc/14/37/90/663143790.db2.gz JRAJYDQGGDVVOP-MQYQWHSLSA-N 2 1 324.425 -1.232 20 0 DAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411526 663144186 /nfs/dbraw/zinc/14/41/86/663144186.db2.gz PPPOWHNHWGQGOQ-CYBMUJFWSA-N 2 1 311.430 -1.264 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000911504857 663147601 /nfs/dbraw/zinc/14/76/01/663147601.db2.gz NZCOFYWRIVINFP-UHFFFAOYSA-N 2 1 310.398 -1.083 20 0 DAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)C1 ZINC000911503272 663147683 /nfs/dbraw/zinc/14/76/83/663147683.db2.gz NPJPNMRNBVKJCR-CYBMUJFWSA-N 2 1 323.441 -1.168 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC000913183466 663156653 /nfs/dbraw/zinc/15/66/53/663156653.db2.gz HJKCLYVSCTYIFK-CQSZACIVSA-N 2 1 311.386 -1.475 20 0 DAADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913185263 663156658 /nfs/dbraw/zinc/15/66/58/663156658.db2.gz XUELTVJQLANFRB-CQSZACIVSA-N 2 1 311.386 -1.475 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713947 663185179 /nfs/dbraw/zinc/18/51/79/663185179.db2.gz XAUFGEOEFCVXSS-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713947 663185183 /nfs/dbraw/zinc/18/51/83/663185183.db2.gz XAUFGEOEFCVXSS-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991713947 663185187 /nfs/dbraw/zinc/18/51/87/663185187.db2.gz XAUFGEOEFCVXSS-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991713947 663185189 /nfs/dbraw/zinc/18/51/89/663185189.db2.gz XAUFGEOEFCVXSS-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991722547 663186714 /nfs/dbraw/zinc/18/67/14/663186714.db2.gz PIRCJRJQUKBUSU-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991722547 663186718 /nfs/dbraw/zinc/18/67/18/663186718.db2.gz PIRCJRJQUKBUSU-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991722547 663186722 /nfs/dbraw/zinc/18/67/22/663186722.db2.gz PIRCJRJQUKBUSU-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722547 663186723 /nfs/dbraw/zinc/18/67/23/663186723.db2.gz PIRCJRJQUKBUSU-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000992088673 663219579 /nfs/dbraw/zinc/21/95/79/663219579.db2.gz ZAXYVDOLYDQTIR-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000992088673 663219583 /nfs/dbraw/zinc/21/95/83/663219583.db2.gz ZAXYVDOLYDQTIR-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000992088673 663219586 /nfs/dbraw/zinc/21/95/86/663219586.db2.gz ZAXYVDOLYDQTIR-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000992088673 663219589 /nfs/dbraw/zinc/21/95/89/663219589.db2.gz ZAXYVDOLYDQTIR-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000992088675 663219854 /nfs/dbraw/zinc/21/98/54/663219854.db2.gz ZAXYVDOLYDQTIR-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000992088675 663219859 /nfs/dbraw/zinc/21/98/59/663219859.db2.gz ZAXYVDOLYDQTIR-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000992088675 663219867 /nfs/dbraw/zinc/21/98/67/663219867.db2.gz ZAXYVDOLYDQTIR-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000992088675 663219872 /nfs/dbraw/zinc/21/98/72/663219872.db2.gz ZAXYVDOLYDQTIR-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[NH+](C)C[C@H]1NC(=O)N(CCC[N@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000925393187 663234083 /nfs/dbraw/zinc/23/40/83/663234083.db2.gz NLRRRKHIPOTPOT-MNOVXSKESA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](C)CCCS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920527337 663306456 /nfs/dbraw/zinc/30/64/56/663306456.db2.gz NZCNUHLEFBGBFO-UHFFFAOYSA-N 2 1 306.432 -1.369 20 0 DAADMP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000994917364 663346331 /nfs/dbraw/zinc/34/63/31/663346331.db2.gz YQZXDEYETLHVIC-AWEZNQCLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000994917364 663346336 /nfs/dbraw/zinc/34/63/36/663346336.db2.gz YQZXDEYETLHVIC-AWEZNQCLSA-N 2 1 324.425 -1.014 20 0 DAADMP O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032129976 663441694 /nfs/dbraw/zinc/44/16/94/663441694.db2.gz CBHSHDHUTFAQLG-LBPRGKRZSA-N 2 1 320.393 -1.065 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182085 663444904 /nfs/dbraw/zinc/44/49/04/663444904.db2.gz DQRQGPREKIUSLK-NEPJUHHUSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182085 663444907 /nfs/dbraw/zinc/44/49/07/663444907.db2.gz DQRQGPREKIUSLK-NEPJUHHUSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000996471034 663487629 /nfs/dbraw/zinc/48/76/29/663487629.db2.gz ZYMJCZZBRCHZGH-ZDUSSCGKSA-N 2 1 322.409 -1.260 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000996471034 663487631 /nfs/dbraw/zinc/48/76/31/663487631.db2.gz ZYMJCZZBRCHZGH-ZDUSSCGKSA-N 2 1 322.409 -1.260 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996622954 663489681 /nfs/dbraw/zinc/48/96/81/663489681.db2.gz TYXQHACWHJBRRL-STQMWFEESA-N 2 1 310.398 -1.085 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312090 663600714 /nfs/dbraw/zinc/60/07/14/663600714.db2.gz RJUBDFJMMDYEJQ-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312090 663600715 /nfs/dbraw/zinc/60/07/15/663600715.db2.gz RJUBDFJMMDYEJQ-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001312090 663600716 /nfs/dbraw/zinc/60/07/16/663600716.db2.gz RJUBDFJMMDYEJQ-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001312090 663600717 /nfs/dbraw/zinc/60/07/17/663600717.db2.gz RJUBDFJMMDYEJQ-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312085 663601069 /nfs/dbraw/zinc/60/10/69/663601069.db2.gz RJUBDFJMMDYEJQ-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312085 663601071 /nfs/dbraw/zinc/60/10/71/663601071.db2.gz RJUBDFJMMDYEJQ-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001312085 663601073 /nfs/dbraw/zinc/60/10/73/663601073.db2.gz RJUBDFJMMDYEJQ-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001312085 663601074 /nfs/dbraw/zinc/60/10/74/663601074.db2.gz RJUBDFJMMDYEJQ-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)CCOCCO ZINC000922110127 663622488 /nfs/dbraw/zinc/62/24/88/663622488.db2.gz WYXJZQKLVPLXDP-TZMCWYRMSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)CCOCCO ZINC000922110127 663622489 /nfs/dbraw/zinc/62/24/89/663622489.db2.gz WYXJZQKLVPLXDP-TZMCWYRMSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)CCOCCO ZINC000922110127 663622491 /nfs/dbraw/zinc/62/24/91/663622491.db2.gz WYXJZQKLVPLXDP-TZMCWYRMSA-N 2 1 303.403 -1.502 20 0 DAADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110927 663622561 /nfs/dbraw/zinc/62/25/61/663622561.db2.gz SJKGWIAQUOEJPN-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110927 663622563 /nfs/dbraw/zinc/62/25/63/663622563.db2.gz SJKGWIAQUOEJPN-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110927 663622564 /nfs/dbraw/zinc/62/25/64/663622564.db2.gz SJKGWIAQUOEJPN-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)CCOCCO ZINC000922110124 663622620 /nfs/dbraw/zinc/62/26/20/663622620.db2.gz WYXJZQKLVPLXDP-JSGCOSHPSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)CCOCCO ZINC000922110124 663622621 /nfs/dbraw/zinc/62/26/21/663622621.db2.gz WYXJZQKLVPLXDP-JSGCOSHPSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)CCOCCO ZINC000922110124 663622622 /nfs/dbraw/zinc/62/26/22/663622622.db2.gz WYXJZQKLVPLXDP-JSGCOSHPSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923300720 663696204 /nfs/dbraw/zinc/69/62/04/663696204.db2.gz KEQYXNGNQYUFCP-LBPRGKRZSA-N 2 1 318.443 -1.211 20 0 DAADMP O=S(=O)(C1CN(CC[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923436467 663696928 /nfs/dbraw/zinc/69/69/28/663696928.db2.gz GTLNFWBBQOYKJV-GFCCVEGCSA-N 2 1 302.444 -1.095 20 0 DAADMP O=S(=O)(C1CN(C[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000923436142 663697123 /nfs/dbraw/zinc/69/71/23/663697123.db2.gz DYBPWZGIDXEBDI-LLVKDONJSA-N 2 1 304.416 -2.106 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436136 663697234 /nfs/dbraw/zinc/69/72/34/663697234.db2.gz DVSOTEULKOFIFE-NEPJUHHUSA-N 2 1 302.444 -1.239 20 0 DAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000923461511 663697510 /nfs/dbraw/zinc/69/75/10/663697510.db2.gz QHTJOCOMTWOFHK-UHFFFAOYSA-N 2 1 323.441 -1.438 20 0 DAADMP C[NH2+]C[C@](C)(O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437027 663697634 /nfs/dbraw/zinc/69/76/34/663697634.db2.gz MJANKCSGDLIXRK-LBPRGKRZSA-N 2 1 306.432 -2.124 20 0 DAADMP COC[C@@H](C)NC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466043 663697761 /nfs/dbraw/zinc/69/77/61/663697761.db2.gz HOVBDSHFKVAOQB-LLVKDONJSA-N 2 1 301.391 -1.658 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946928630 663699470 /nfs/dbraw/zinc/69/94/70/663699470.db2.gz UMPSLOBYIQDSLF-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923602864 663700267 /nfs/dbraw/zinc/70/02/67/663700267.db2.gz HPARJVCNRDGTEQ-LBPRGKRZSA-N 2 1 318.443 -1.180 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923602864 663700271 /nfs/dbraw/zinc/70/02/71/663700271.db2.gz HPARJVCNRDGTEQ-LBPRGKRZSA-N 2 1 318.443 -1.180 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056437 663844711 /nfs/dbraw/zinc/84/47/11/663844711.db2.gz KRQYSVBEBPTTFG-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056438 663845111 /nfs/dbraw/zinc/84/51/11/663845111.db2.gz KRQYSVBEBPTTFG-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842163899 663876666 /nfs/dbraw/zinc/87/66/66/663876666.db2.gz ALCMVLBGMGVJHQ-RWMBFGLXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164745 663877110 /nfs/dbraw/zinc/87/71/10/663877110.db2.gz NZJATXPEHKTLQH-YNEHKIRRSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848616663 663892563 /nfs/dbraw/zinc/89/25/63/663892563.db2.gz QMTWJYNQSXWVJJ-CHWSQXEVSA-N 2 1 312.414 -1.101 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685043 663896269 /nfs/dbraw/zinc/89/62/69/663896269.db2.gz OVWOCTRWWYSHMP-BTJONVMOSA-N 2 1 322.409 -1.166 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685053 663896375 /nfs/dbraw/zinc/89/63/75/663896375.db2.gz OVWOCTRWWYSHMP-WULFKBJJSA-N 2 1 322.409 -1.166 20 0 DAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852863564 663898546 /nfs/dbraw/zinc/89/85/46/663898546.db2.gz GZTRUNQMFZGJOP-GHMZBOCLSA-N 2 1 311.386 -1.206 20 0 DAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852863573 663898574 /nfs/dbraw/zinc/89/85/74/663898574.db2.gz GZTRUNQMFZGJOP-QWRGUYRKSA-N 2 1 311.386 -1.206 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000861755992 663918897 /nfs/dbraw/zinc/91/88/97/663918897.db2.gz RXVFSXSEXDFCBF-LLVKDONJSA-N 2 1 313.402 -1.928 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000863765442 663926437 /nfs/dbraw/zinc/92/64/37/663926437.db2.gz QHIOREYJSAJVLO-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000868419061 663934119 /nfs/dbraw/zinc/93/41/19/663934119.db2.gz UJKSOSVKVFCCNB-DGAVXFQQSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C1COC[C@@]2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872232822 663939264 /nfs/dbraw/zinc/93/92/64/663939264.db2.gz HNLMBQUAOAKXEZ-UKRRQHHQSA-N 2 1 313.398 -1.340 20 0 DAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923639917 663944451 /nfs/dbraw/zinc/94/44/51/663944451.db2.gz GPTNSYTZIFJDRH-GFCCVEGCSA-N 2 1 303.432 -1.884 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923647338 663945864 /nfs/dbraw/zinc/94/58/64/663945864.db2.gz YFBQYPNWIHEMNN-GHMZBOCLSA-N 2 1 305.400 -1.095 20 0 DAADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000876743288 663947101 /nfs/dbraw/zinc/94/71/01/663947101.db2.gz BBLXGONGXQYYFK-IPYPFGDCSA-N 2 1 313.398 -1.029 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876754061 663947496 /nfs/dbraw/zinc/94/74/96/663947496.db2.gz AXMHGFYQPWSJLL-TZMCWYRMSA-N 2 1 301.387 -1.172 20 0 DAADMP COC[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000876971883 663949647 /nfs/dbraw/zinc/94/96/47/663949647.db2.gz FMESZWCBMKSWEE-DZGCQCFKSA-N 2 1 312.414 -1.503 20 0 DAADMP O=S(=O)(C1C[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923655662 663950015 /nfs/dbraw/zinc/95/00/15/663950015.db2.gz LNEPLZAWDVNISZ-UHFFFAOYSA-N 2 1 324.428 -2.793 20 0 DAADMP O[C@@H]1C[NH+](CC(C[N@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)C[C@@H]1O ZINC000878159586 663951110 /nfs/dbraw/zinc/95/11/10/663951110.db2.gz ZCJJQKKYZNAOSE-GEEKYZPCSA-N 2 1 314.426 -1.132 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884570882 663964465 /nfs/dbraw/zinc/96/44/65/663964465.db2.gz BOEGOBCXFTVGID-LMOYCYGVSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884570882 663964469 /nfs/dbraw/zinc/96/44/69/663964469.db2.gz BOEGOBCXFTVGID-LMOYCYGVSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCOCC1 ZINC000884544826 663964791 /nfs/dbraw/zinc/96/47/91/663964791.db2.gz QNNVCZGEFRULHQ-AVGNSLFASA-N 2 1 310.398 -1.356 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884570884 663964918 /nfs/dbraw/zinc/96/49/18/663964918.db2.gz BOEGOBCXFTVGID-WFGGJUAMSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884570884 663964921 /nfs/dbraw/zinc/96/49/21/663964921.db2.gz BOEGOBCXFTVGID-WFGGJUAMSA-N 2 1 324.425 -1.110 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884677197 663965677 /nfs/dbraw/zinc/96/56/77/663965677.db2.gz KYRDAZFKPUWSIJ-KGLIPLIRSA-N 2 1 323.441 -1.440 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884677199 663965698 /nfs/dbraw/zinc/96/56/98/663965698.db2.gz KYRDAZFKPUWSIJ-ZIAGYGMSSA-N 2 1 323.441 -1.440 20 0 DAADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884598268 663965876 /nfs/dbraw/zinc/96/58/76/663965876.db2.gz XDFZESAFJFQUTI-KBPBESRZSA-N 2 1 323.441 -1.297 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000884816195 663967596 /nfs/dbraw/zinc/96/75/96/663967596.db2.gz WEYPVGBONSDKII-AGIUHOORSA-N 2 1 310.398 -1.356 20 0 DAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000926330971 663981923 /nfs/dbraw/zinc/98/19/23/663981923.db2.gz CZBXYGLWHMZQKG-BBRMVZONSA-N 2 1 324.425 -1.006 20 0 DAADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926337489 663982187 /nfs/dbraw/zinc/98/21/87/663982187.db2.gz PXVLAOMBNJOZQE-UONOGXRCSA-N 2 1 323.441 -1.297 20 0 DAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000926330980 663982540 /nfs/dbraw/zinc/98/25/40/663982540.db2.gz CZBXYGLWHMZQKG-CJNGLKHVSA-N 2 1 324.425 -1.006 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926331109 663982657 /nfs/dbraw/zinc/98/26/57/663982657.db2.gz GEOSLARVQXSPCE-MROQNXINSA-N 2 1 312.414 -1.295 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926331109 663982659 /nfs/dbraw/zinc/98/26/59/663982659.db2.gz GEOSLARVQXSPCE-MROQNXINSA-N 2 1 312.414 -1.295 20 0 DAADMP CN(C(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000926330508 663982849 /nfs/dbraw/zinc/98/28/49/663982849.db2.gz AAURVDHLLDKCDJ-CQSZACIVSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000926385913 663983004 /nfs/dbraw/zinc/98/30/04/663983004.db2.gz AQQVHPKOSDPVMD-XDQVBPFNSA-N 2 1 324.425 -1.293 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926387985 663983799 /nfs/dbraw/zinc/98/37/99/663983799.db2.gz VUNYYXZMEVFHHD-RFQIPJPRSA-N 2 1 322.409 -1.668 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426940 663984030 /nfs/dbraw/zinc/98/40/30/663984030.db2.gz ATKNTMYPDYRVPG-UMSGYPCISA-N 2 1 310.398 -1.765 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926440524 663984399 /nfs/dbraw/zinc/98/43/99/663984399.db2.gz SAGICOQKJRMQHN-WOSRLPQWSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313393 663987547 /nfs/dbraw/zinc/98/75/47/663987547.db2.gz WXGNBBLNAAMDJD-LJIZCISZSA-N 3 1 321.469 -1.207 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313393 663987548 /nfs/dbraw/zinc/98/75/48/663987548.db2.gz WXGNBBLNAAMDJD-LJIZCISZSA-N 3 1 321.469 -1.207 20 0 DAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882030 663988654 /nfs/dbraw/zinc/98/86/54/663988654.db2.gz POQHVHWPTJAWMQ-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882030 663988657 /nfs/dbraw/zinc/98/86/57/663988657.db2.gz POQHVHWPTJAWMQ-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882030 663988660 /nfs/dbraw/zinc/98/86/60/663988660.db2.gz POQHVHWPTJAWMQ-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882030 663988665 /nfs/dbraw/zinc/98/86/65/663988665.db2.gz POQHVHWPTJAWMQ-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929526707 663989330 /nfs/dbraw/zinc/98/93/30/663989330.db2.gz VZKBIKFWUIBIRJ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929526707 663989333 /nfs/dbraw/zinc/98/93/33/663989333.db2.gz VZKBIKFWUIBIRJ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929526707 663989336 /nfs/dbraw/zinc/98/93/36/663989336.db2.gz VZKBIKFWUIBIRJ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929526707 663989341 /nfs/dbraw/zinc/98/93/41/663989341.db2.gz VZKBIKFWUIBIRJ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000931885019 663997284 /nfs/dbraw/zinc/99/72/84/663997284.db2.gz BRQYQPPAZOSRHN-KGLIPLIRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000931885019 663997288 /nfs/dbraw/zinc/99/72/88/663997288.db2.gz BRQYQPPAZOSRHN-KGLIPLIRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931885019 663997290 /nfs/dbraw/zinc/99/72/90/663997290.db2.gz BRQYQPPAZOSRHN-KGLIPLIRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931885019 663997293 /nfs/dbraw/zinc/99/72/93/663997293.db2.gz BRQYQPPAZOSRHN-KGLIPLIRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000931889277 663997512 /nfs/dbraw/zinc/99/75/12/663997512.db2.gz FRVKJTSIGSMJDH-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000931889277 663997515 /nfs/dbraw/zinc/99/75/15/663997515.db2.gz FRVKJTSIGSMJDH-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931889277 663997517 /nfs/dbraw/zinc/99/75/17/663997517.db2.gz FRVKJTSIGSMJDH-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931889277 663997521 /nfs/dbraw/zinc/99/75/21/663997521.db2.gz FRVKJTSIGSMJDH-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000175 /nfs/dbraw/zinc/00/01/75/664000175.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 2 1 309.432 -1.464 20 0 DAADMP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002054 /nfs/dbraw/zinc/00/20/54/664002054.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 1 323.459 -1.218 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002056 /nfs/dbraw/zinc/00/20/56/664002056.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 1 323.459 -1.218 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954318799 664142581 /nfs/dbraw/zinc/14/25/81/664142581.db2.gz ZUIVZCKOQDWZFQ-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954318799 664142585 /nfs/dbraw/zinc/14/25/85/664142585.db2.gz ZUIVZCKOQDWZFQ-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000954318799 664142588 /nfs/dbraw/zinc/14/25/88/664142588.db2.gz ZUIVZCKOQDWZFQ-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000954318799 664142590 /nfs/dbraw/zinc/14/25/90/664142590.db2.gz ZUIVZCKOQDWZFQ-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171819 664241861 /nfs/dbraw/zinc/24/18/61/664241861.db2.gz MWARMZUONVMCRQ-QWHCGFSZSA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171819 664241864 /nfs/dbraw/zinc/24/18/64/664241864.db2.gz MWARMZUONVMCRQ-QWHCGFSZSA-N 2 1 324.425 -1.243 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592952 664280097 /nfs/dbraw/zinc/28/00/97/664280097.db2.gz YZVYMYMMSMHCHC-RYUDHWBXSA-N 2 1 310.398 -1.763 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592952 664280101 /nfs/dbraw/zinc/28/01/01/664280101.db2.gz YZVYMYMMSMHCHC-RYUDHWBXSA-N 2 1 310.398 -1.763 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592953 664280870 /nfs/dbraw/zinc/28/08/70/664280870.db2.gz YZVYMYMMSMHCHC-VXGBXAGGSA-N 2 1 310.398 -1.763 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592953 664280871 /nfs/dbraw/zinc/28/08/71/664280871.db2.gz YZVYMYMMSMHCHC-VXGBXAGGSA-N 2 1 310.398 -1.763 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962021447 664365135 /nfs/dbraw/zinc/36/51/35/664365135.db2.gz XGBJQIKZTFWJFX-IMRBUKKESA-N 2 1 320.397 -1.410 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962021447 664365137 /nfs/dbraw/zinc/36/51/37/664365137.db2.gz XGBJQIKZTFWJFX-IMRBUKKESA-N 2 1 320.397 -1.410 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963453035 664390892 /nfs/dbraw/zinc/39/08/92/664390892.db2.gz RPFUPEFVWZUZAW-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963512815 664391985 /nfs/dbraw/zinc/39/19/85/664391985.db2.gz AAHQGGAZQNNAST-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000967923720 664467794 /nfs/dbraw/zinc/46/77/94/664467794.db2.gz BPIPXDXNGMIYAV-NEPJUHHUSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870832 664521590 /nfs/dbraw/zinc/52/15/90/664521590.db2.gz GIXPWOBVXDTYML-UONOGXRCSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870832 664521593 /nfs/dbraw/zinc/52/15/93/664521593.db2.gz GIXPWOBVXDTYML-UONOGXRCSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001010870832 664521598 /nfs/dbraw/zinc/52/15/98/664521598.db2.gz GIXPWOBVXDTYML-UONOGXRCSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001010870832 664521602 /nfs/dbraw/zinc/52/16/02/664521602.db2.gz GIXPWOBVXDTYML-UONOGXRCSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870831 664521743 /nfs/dbraw/zinc/52/17/43/664521743.db2.gz GIXPWOBVXDTYML-KGLIPLIRSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870831 664521744 /nfs/dbraw/zinc/52/17/44/664521744.db2.gz GIXPWOBVXDTYML-KGLIPLIRSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001010870831 664521746 /nfs/dbraw/zinc/52/17/46/664521746.db2.gz GIXPWOBVXDTYML-KGLIPLIRSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001010870831 664521747 /nfs/dbraw/zinc/52/17/47/664521747.db2.gz GIXPWOBVXDTYML-KGLIPLIRSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256608 664572685 /nfs/dbraw/zinc/57/26/85/664572685.db2.gz RZFBCUKCPCSYPK-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256608 664572687 /nfs/dbraw/zinc/57/26/87/664572687.db2.gz RZFBCUKCPCSYPK-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256608 664572690 /nfs/dbraw/zinc/57/26/90/664572690.db2.gz RZFBCUKCPCSYPK-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256608 664572692 /nfs/dbraw/zinc/57/26/92/664572692.db2.gz RZFBCUKCPCSYPK-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018630931 664588063 /nfs/dbraw/zinc/58/80/63/664588063.db2.gz BPIPXDXNGMIYAV-RYUDHWBXSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058707839 677687002 /nfs/dbraw/zinc/68/70/02/677687002.db2.gz PWUXFSOPNMPICR-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654914 677819153 /nfs/dbraw/zinc/81/91/53/677819153.db2.gz MFIXXKVQAPVAJF-NRYGQCTKSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654914 677819155 /nfs/dbraw/zinc/81/91/55/677819155.db2.gz MFIXXKVQAPVAJF-NRYGQCTKSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654914 677819158 /nfs/dbraw/zinc/81/91/58/677819158.db2.gz MFIXXKVQAPVAJF-NRYGQCTKSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654914 677819162 /nfs/dbraw/zinc/81/91/62/677819162.db2.gz MFIXXKVQAPVAJF-NRYGQCTKSA-N 2 1 311.382 -1.997 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000912992919 677821350 /nfs/dbraw/zinc/82/13/50/677821350.db2.gz OIPQWUVENOYSGS-XUJVJEKNSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992919 677821352 /nfs/dbraw/zinc/82/13/52/677821352.db2.gz OIPQWUVENOYSGS-XUJVJEKNSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992919 677821357 /nfs/dbraw/zinc/82/13/57/677821357.db2.gz OIPQWUVENOYSGS-XUJVJEKNSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900171081 677830538 /nfs/dbraw/zinc/83/05/38/677830538.db2.gz GQPUFTZCIFPCBQ-DOMZBBRYSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999352192 677890487 /nfs/dbraw/zinc/89/04/87/677890487.db2.gz IZIXENIQYGIAOS-STQMWFEESA-N 2 1 322.413 -1.121 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174527 677916749 /nfs/dbraw/zinc/91/67/49/677916749.db2.gz OFQQMUWSVDEGGG-BFHYXJOUSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174527 677916754 /nfs/dbraw/zinc/91/67/54/677916754.db2.gz OFQQMUWSVDEGGG-BFHYXJOUSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174527 677916761 /nfs/dbraw/zinc/91/67/61/677916761.db2.gz OFQQMUWSVDEGGG-BFHYXJOUSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174527 677916767 /nfs/dbraw/zinc/91/67/67/677916767.db2.gz OFQQMUWSVDEGGG-BFHYXJOUSA-N 2 1 324.425 -1.278 20 0 DAADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760978 678163589 /nfs/dbraw/zinc/16/35/89/678163589.db2.gz XJHZGHIUEFIAPA-OLZOCXBDSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760978 678163590 /nfs/dbraw/zinc/16/35/90/678163590.db2.gz XJHZGHIUEFIAPA-OLZOCXBDSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760978 678163592 /nfs/dbraw/zinc/16/35/92/678163592.db2.gz XJHZGHIUEFIAPA-OLZOCXBDSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760978 678163594 /nfs/dbraw/zinc/16/35/94/678163594.db2.gz XJHZGHIUEFIAPA-OLZOCXBDSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760980 678163602 /nfs/dbraw/zinc/16/36/02/678163602.db2.gz XJHZGHIUEFIAPA-STQMWFEESA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760980 678163604 /nfs/dbraw/zinc/16/36/04/678163604.db2.gz XJHZGHIUEFIAPA-STQMWFEESA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760980 678163606 /nfs/dbraw/zinc/16/36/06/678163606.db2.gz XJHZGHIUEFIAPA-STQMWFEESA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760980 678163608 /nfs/dbraw/zinc/16/36/08/678163608.db2.gz XJHZGHIUEFIAPA-STQMWFEESA-N 2 1 322.409 -1.131 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)O1 ZINC001073660641 678177062 /nfs/dbraw/zinc/17/70/62/678177062.db2.gz KQRXBBOKSRXVGH-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)O1 ZINC001073660641 678177067 /nfs/dbraw/zinc/17/70/67/678177067.db2.gz KQRXBBOKSRXVGH-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)O1 ZINC001073660641 678177069 /nfs/dbraw/zinc/17/70/69/678177069.db2.gz KQRXBBOKSRXVGH-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073660641 678177072 /nfs/dbraw/zinc/17/70/72/678177072.db2.gz KQRXBBOKSRXVGH-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001074755610 678203940 /nfs/dbraw/zinc/20/39/40/678203940.db2.gz NQFQDXQREJTLGX-JRWADXHSSA-N 2 1 322.409 -1.086 20 0 DAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659735 678217869 /nfs/dbraw/zinc/21/78/69/678217869.db2.gz JWHGCWCXULVJPM-NSHDSACASA-N 2 1 305.386 -1.004 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043114760 678365415 /nfs/dbraw/zinc/36/54/15/678365415.db2.gz ARVHYKZYVHALTG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001043114760 678365416 /nfs/dbraw/zinc/36/54/16/678365416.db2.gz ARVHYKZYVHALTG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001043114760 678365417 /nfs/dbraw/zinc/36/54/17/678365417.db2.gz ARVHYKZYVHALTG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115884 678366071 /nfs/dbraw/zinc/36/60/71/678366071.db2.gz KXWCCIAPKJPTDB-GFCCVEGCSA-N 2 1 312.414 -1.421 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123885 678367209 /nfs/dbraw/zinc/36/72/09/678367209.db2.gz JQOWUFVVTWQVGB-ZDUSSCGKSA-N 2 1 324.425 -1.134 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043910930 678405576 /nfs/dbraw/zinc/40/55/76/678405576.db2.gz XILMJGGVOFGECJ-UHFFFAOYSA-N 2 1 323.397 -1.167 20 0 DAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001045710131 678469695 /nfs/dbraw/zinc/46/96/95/678469695.db2.gz CFSRASHIXJVUDT-GFCCVEGCSA-N 2 1 312.414 -1.278 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716549 678470006 /nfs/dbraw/zinc/47/00/06/678470006.db2.gz JURPSIPRFXXZRD-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 ZINC001045719917 678470067 /nfs/dbraw/zinc/47/00/67/678470067.db2.gz GBIMDVCYQYYJEK-UHFFFAOYSA-N 2 1 323.397 -1.017 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891926 678565696 /nfs/dbraw/zinc/56/56/96/678565696.db2.gz WKMOKKHCQXFQJW-XHJNMGKDSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891926 678565698 /nfs/dbraw/zinc/56/56/98/678565698.db2.gz WKMOKKHCQXFQJW-XHJNMGKDSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891926 678565699 /nfs/dbraw/zinc/56/56/99/678565699.db2.gz WKMOKKHCQXFQJW-XHJNMGKDSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891926 678565702 /nfs/dbraw/zinc/56/57/02/678565702.db2.gz WKMOKKHCQXFQJW-XHJNMGKDSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891925 678565848 /nfs/dbraw/zinc/56/58/48/678565848.db2.gz WKMOKKHCQXFQJW-XGFWRYKXSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891925 678565851 /nfs/dbraw/zinc/56/58/51/678565851.db2.gz WKMOKKHCQXFQJW-XGFWRYKXSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891925 678565855 /nfs/dbraw/zinc/56/58/55/678565855.db2.gz WKMOKKHCQXFQJW-XGFWRYKXSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891925 678565859 /nfs/dbraw/zinc/56/58/59/678565859.db2.gz WKMOKKHCQXFQJW-XGFWRYKXSA-N 2 1 324.425 -1.031 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116437 678574618 /nfs/dbraw/zinc/57/46/18/678574618.db2.gz PLWWRSLTJNJRHJ-MELADBBJSA-N 2 1 324.425 -1.027 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116437 678574620 /nfs/dbraw/zinc/57/46/20/678574620.db2.gz PLWWRSLTJNJRHJ-MELADBBJSA-N 2 1 324.425 -1.027 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051714369 678767495 /nfs/dbraw/zinc/76/74/95/678767495.db2.gz FPDNZONGWIDNQO-STQMWFEESA-N 2 1 321.381 -1.103 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097449 678854828 /nfs/dbraw/zinc/85/48/28/678854828.db2.gz SKMGYUGZENPTBH-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097449 678854830 /nfs/dbraw/zinc/85/48/30/678854830.db2.gz SKMGYUGZENPTBH-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097449 678854832 /nfs/dbraw/zinc/85/48/32/678854832.db2.gz SKMGYUGZENPTBH-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742997 678859862 /nfs/dbraw/zinc/85/98/62/678859862.db2.gz SKENVBVSEAXIRW-KBPBESRZSA-N 2 1 316.446 -1.288 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070326989 678864550 /nfs/dbraw/zinc/86/45/50/678864550.db2.gz MYMADPAQPFUTNC-UPJWGTAASA-N 2 1 308.386 -1.436 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327130 678864595 /nfs/dbraw/zinc/86/45/95/678864595.db2.gz TYWXYEZXAIALBO-UTUOFQBUSA-N 2 1 321.385 -1.943 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327129 678864642 /nfs/dbraw/zinc/86/46/42/678864642.db2.gz TYWXYEZXAIALBO-TUAOUCFPSA-N 2 1 321.385 -1.943 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001200183471 782193551 /nfs/dbraw/zinc/19/35/51/782193551.db2.gz YLPCCDVNDXQSCZ-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001200183471 782193554 /nfs/dbraw/zinc/19/35/54/782193554.db2.gz YLPCCDVNDXQSCZ-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001200183111 782193690 /nfs/dbraw/zinc/19/36/90/782193690.db2.gz VZPXROCNTVDNTC-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001200183111 782193695 /nfs/dbraw/zinc/19/36/95/782193695.db2.gz VZPXROCNTVDNTC-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)O1 ZINC001200787175 782208071 /nfs/dbraw/zinc/20/80/71/782208071.db2.gz NTNQBCLNVMWAAF-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)O1 ZINC001200787175 782208077 /nfs/dbraw/zinc/20/80/77/782208077.db2.gz NTNQBCLNVMWAAF-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201640422 782220339 /nfs/dbraw/zinc/22/03/39/782220339.db2.gz YFZPFEMEPKZEBM-AWEZNQCLSA-N 2 1 315.414 -1.092 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114410090 782246444 /nfs/dbraw/zinc/24/64/44/782246444.db2.gz SWBMKNHYVMRLRG-YGNMPJRFSA-N 2 1 323.397 -1.432 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114410090 782246453 /nfs/dbraw/zinc/24/64/53/782246453.db2.gz SWBMKNHYVMRLRG-YGNMPJRFSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275105216 782302800 /nfs/dbraw/zinc/30/28/00/782302800.db2.gz OAVGGJOVSAXIQO-QWRGUYRKSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275105216 782302807 /nfs/dbraw/zinc/30/28/07/782302807.db2.gz OAVGGJOVSAXIQO-QWRGUYRKSA-N 2 1 322.431 -2.040 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099975263 782519725 /nfs/dbraw/zinc/51/97/25/782519725.db2.gz ZVBFNTOBCSDELD-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985274 782523675 /nfs/dbraw/zinc/52/36/75/782523675.db2.gz AKUDCPFAGJJXAB-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985274 782523682 /nfs/dbraw/zinc/52/36/82/782523682.db2.gz AKUDCPFAGJJXAB-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986357 782523953 /nfs/dbraw/zinc/52/39/53/782523953.db2.gz JKJGZJSRFOKYNB-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986357 782523957 /nfs/dbraw/zinc/52/39/57/782523957.db2.gz JKJGZJSRFOKYNB-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099986854 782524179 /nfs/dbraw/zinc/52/41/79/782524179.db2.gz QFJPHMHGGFGROT-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986356 782524202 /nfs/dbraw/zinc/52/42/02/782524202.db2.gz JKJGZJSRFOKYNB-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986356 782524208 /nfs/dbraw/zinc/52/42/08/782524208.db2.gz JKJGZJSRFOKYNB-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100042310 782539451 /nfs/dbraw/zinc/53/94/51/782539451.db2.gz XNZWVVYAXCOVCQ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100042310 782539459 /nfs/dbraw/zinc/53/94/59/782539459.db2.gz XNZWVVYAXCOVCQ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100083856 782547826 /nfs/dbraw/zinc/54/78/26/782547826.db2.gz WOYCKUGUTQMFMF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100083856 782547833 /nfs/dbraw/zinc/54/78/33/782547833.db2.gz WOYCKUGUTQMFMF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100083856 782547816 /nfs/dbraw/zinc/54/78/16/782547816.db2.gz WOYCKUGUTQMFMF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100083856 782547823 /nfs/dbraw/zinc/54/78/23/782547823.db2.gz WOYCKUGUTQMFMF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109488 782554356 /nfs/dbraw/zinc/55/43/56/782554356.db2.gz GFRSSZTXPCMORQ-KBPBESRZSA-N 2 1 315.414 -1.358 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131340 782558788 /nfs/dbraw/zinc/55/87/88/782558788.db2.gz BPWNZYCBMHTOEA-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131340 782558796 /nfs/dbraw/zinc/55/87/96/782558796.db2.gz BPWNZYCBMHTOEA-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131340 782558804 /nfs/dbraw/zinc/55/88/04/782558804.db2.gz BPWNZYCBMHTOEA-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131340 782558811 /nfs/dbraw/zinc/55/88/11/782558811.db2.gz BPWNZYCBMHTOEA-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102510958 782617261 /nfs/dbraw/zinc/61/72/61/782617261.db2.gz CTJAQBACVYPFAL-CHWSQXEVSA-N 2 1 314.430 -1.005 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318621 782614495 /nfs/dbraw/zinc/61/44/95/782614495.db2.gz BEMBWFQSIYELMI-GHMZBOCLSA-N 2 1 313.402 -1.183 20 0 DAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819632 782622138 /nfs/dbraw/zinc/62/21/38/782622138.db2.gz YAVRIEPADNVFLH-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819632 782622144 /nfs/dbraw/zinc/62/21/44/782622144.db2.gz YAVRIEPADNVFLH-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819632 782622149 /nfs/dbraw/zinc/62/21/49/782622149.db2.gz YAVRIEPADNVFLH-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819632 782622154 /nfs/dbraw/zinc/62/21/54/782622154.db2.gz YAVRIEPADNVFLH-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104033861 782629396 /nfs/dbraw/zinc/62/93/96/782629396.db2.gz JQWQCMQIAYUTQT-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104033861 782629403 /nfs/dbraw/zinc/62/94/03/782629403.db2.gz JQWQCMQIAYUTQT-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241256 782647446 /nfs/dbraw/zinc/64/74/46/782647446.db2.gz FEZOCEBSSVSMOJ-SVDPJWKOSA-N 2 1 309.370 -1.821 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241256 782647447 /nfs/dbraw/zinc/64/74/47/782647447.db2.gz FEZOCEBSSVSMOJ-SVDPJWKOSA-N 2 1 309.370 -1.821 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241256 782647451 /nfs/dbraw/zinc/64/74/51/782647451.db2.gz FEZOCEBSSVSMOJ-SVDPJWKOSA-N 2 1 309.370 -1.821 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241256 782647455 /nfs/dbraw/zinc/64/74/55/782647455.db2.gz FEZOCEBSSVSMOJ-SVDPJWKOSA-N 2 1 309.370 -1.821 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115125870 782643613 /nfs/dbraw/zinc/64/36/13/782643613.db2.gz DGHYEJBDBWONAI-NHAGDIPZSA-N 2 1 315.414 -1.380 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123634 782643638 /nfs/dbraw/zinc/64/36/38/782643638.db2.gz SYCKTUPKGRXQOX-IAZYJMLFSA-N 2 1 321.381 -1.677 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123634 782643641 /nfs/dbraw/zinc/64/36/41/782643641.db2.gz SYCKTUPKGRXQOX-IAZYJMLFSA-N 2 1 321.381 -1.677 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115126373 782643771 /nfs/dbraw/zinc/64/37/71/782643771.db2.gz MXAIGXBNAJJZIU-SFDCQRBFSA-N 2 1 324.425 -1.110 20 0 DAADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118325769 782713906 /nfs/dbraw/zinc/71/39/06/782713906.db2.gz JZSHYLMQZBMCPV-QNWHQSFQSA-N 2 1 310.398 -1.493 20 0 DAADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118325770 782714311 /nfs/dbraw/zinc/71/43/11/782714311.db2.gz JZSHYLMQZBMCPV-ZDEQEGDKSA-N 2 1 310.398 -1.493 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118867321 782737461 /nfs/dbraw/zinc/73/74/61/782737461.db2.gz KFYIEHWTRLJEKF-CYBMUJFWSA-N 2 1 313.446 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC001118867638 782737868 /nfs/dbraw/zinc/73/78/68/782737868.db2.gz NBEBNMSKGRQVLW-AAEUAGOBSA-N 2 1 310.398 -1.142 20 0 DAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2)C1 ZINC001119236885 782750994 /nfs/dbraw/zinc/75/09/94/782750994.db2.gz HYOQISAMKNERMI-CYBMUJFWSA-N 2 1 311.430 -1.405 20 0 DAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2)C1 ZINC001119236886 782751346 /nfs/dbraw/zinc/75/13/46/782751346.db2.gz HYOQISAMKNERMI-ZDUSSCGKSA-N 2 1 311.430 -1.405 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001119351658 782753372 /nfs/dbraw/zinc/75/33/72/782753372.db2.gz ZFNAUARTCURYKX-RYUDHWBXSA-N 2 1 300.403 -1.076 20 0 DAADMP CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310008 775127629 /nfs/dbraw/zinc/12/76/29/775127629.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP CN1CCO[C@H](C(=O)N[C@H]2CCN(CCOCCO)C2)C1 ZINC001266310008 775127638 /nfs/dbraw/zinc/12/76/38/775127638.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP CC[C@@H](C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001282954917 775164480 /nfs/dbraw/zinc/16/44/80/775164480.db2.gz GBJUUKRWQHXVOJ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001282954917 775164482 /nfs/dbraw/zinc/16/44/82/775164482.db2.gz GBJUUKRWQHXVOJ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581242 775182455 /nfs/dbraw/zinc/18/24/55/775182455.db2.gz SOQXWDDNIPYHHE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581242 775182464 /nfs/dbraw/zinc/18/24/64/775182464.db2.gz SOQXWDDNIPYHHE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001267021029 775196307 /nfs/dbraw/zinc/19/63/07/775196307.db2.gz XHFGYZRSWMSYRY-AWEZNQCLSA-N 2 1 315.414 -1.092 20 0 DAADMP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562525 775200817 /nfs/dbraw/zinc/20/08/17/775200817.db2.gz YQDXVLYUFODQKG-UHFFFAOYSA-N 2 1 312.414 -1.147 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072392 775201277 /nfs/dbraw/zinc/20/12/77/775201277.db2.gz YKVVQSSGGSKZJG-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)C1 ZINC001267105907 775205030 /nfs/dbraw/zinc/20/50/30/775205030.db2.gz NXCFUFJEEURYOT-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)C1 ZINC001267105907 775205036 /nfs/dbraw/zinc/20/50/36/775205036.db2.gz NXCFUFJEEURYOT-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263490 775219547 /nfs/dbraw/zinc/21/95/47/775219547.db2.gz JYXCOLAIMNDTMP-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263490 775219556 /nfs/dbraw/zinc/21/95/56/775219556.db2.gz JYXCOLAIMNDTMP-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOCCO)C1 ZINC001267263490 775219561 /nfs/dbraw/zinc/21/95/61/775219561.db2.gz JYXCOLAIMNDTMP-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263490 775219571 /nfs/dbraw/zinc/21/95/71/775219571.db2.gz JYXCOLAIMNDTMP-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758789 775261068 /nfs/dbraw/zinc/26/10/68/775261068.db2.gz OLUCCMPMFIEWMU-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981686 775309034 /nfs/dbraw/zinc/30/90/34/775309034.db2.gz QNOPGGHKYZSOHL-RYUDHWBXSA-N 2 1 320.459 -1.028 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981687 775309518 /nfs/dbraw/zinc/30/95/18/775309518.db2.gz QNOPGGHKYZSOHL-VXGBXAGGSA-N 2 1 320.459 -1.028 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268315524 775366786 /nfs/dbraw/zinc/36/67/86/775366786.db2.gz BZMWWHBICWOHKA-WDEREUQCSA-N 2 1 322.431 -2.304 20 0 DAADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268355750 775379002 /nfs/dbraw/zinc/37/90/02/775379002.db2.gz ZSGDWRVBWZCZOD-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268355750 775379009 /nfs/dbraw/zinc/37/90/09/775379009.db2.gz ZSGDWRVBWZCZOD-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268640744 775410234 /nfs/dbraw/zinc/41/02/34/775410234.db2.gz CFQBLDGFNGIRCH-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268640744 775410235 /nfs/dbraw/zinc/41/02/35/775410235.db2.gz CFQBLDGFNGIRCH-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001268996328 775432917 /nfs/dbraw/zinc/43/29/17/775432917.db2.gz LNRLIUCMICDQBJ-QWRGUYRKSA-N 2 1 310.402 -1.425 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001268996328 775432923 /nfs/dbraw/zinc/43/29/23/775432923.db2.gz LNRLIUCMICDQBJ-QWRGUYRKSA-N 2 1 310.402 -1.425 20 0 DAADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269095777 775441529 /nfs/dbraw/zinc/44/15/29/775441529.db2.gz VRHSFCVTDDCWTK-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284877640 775488484 /nfs/dbraw/zinc/48/84/84/775488484.db2.gz HFJKDYNSQUWVOP-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+](C)CCN1CC2(CN(C(=O)C[NH+]3CCC3)C2)OCC1=O ZINC001271011450 775524467 /nfs/dbraw/zinc/52/44/67/775524467.db2.gz AUUAIEDTDKHMLK-UHFFFAOYSA-N 2 1 310.398 -1.307 20 0 DAADMP CS(=O)(=O)N1CC(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001168218834 775626002 /nfs/dbraw/zinc/62/60/02/775626002.db2.gz YYVXORCCJGLZOI-UHFFFAOYSA-N 2 1 312.399 -1.058 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CC(N)=O ZINC001088757222 775655758 /nfs/dbraw/zinc/65/57/58/775655758.db2.gz OFPSONJEGJWWNV-FAZPBVIHSA-N 2 1 322.409 -1.086 20 0 DAADMP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001272226492 775657164 /nfs/dbraw/zinc/65/71/64/775657164.db2.gz WEYJSOPSYAWPDV-GFCCVEGCSA-N 2 1 300.403 -1.373 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417139 775733042 /nfs/dbraw/zinc/73/30/42/775733042.db2.gz NHYCTRWNHRMWBY-UHFFFAOYSA-N 2 1 300.403 -1.059 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416930 775734363 /nfs/dbraw/zinc/73/43/63/775734363.db2.gz IIKRXOXUUDEEOX-UHFFFAOYSA-N 2 1 321.443 -1.151 20 0 DAADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272389490 775755955 /nfs/dbraw/zinc/75/59/55/775755955.db2.gz OQPHNQDTPXGTRY-STQMWFEESA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272389490 775755964 /nfs/dbraw/zinc/75/59/64/775755964.db2.gz OQPHNQDTPXGTRY-STQMWFEESA-N 2 1 303.403 -1.191 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254190 775763782 /nfs/dbraw/zinc/76/37/82/775763782.db2.gz CZMFZHJMTJNNLU-GHMZBOCLSA-N 2 1 311.386 -1.239 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272534243 775770502 /nfs/dbraw/zinc/77/05/02/775770502.db2.gz GUAHJHDSLVNSRZ-OAHLLOKOSA-N 2 1 312.414 -1.061 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272534243 775770510 /nfs/dbraw/zinc/77/05/10/775770510.db2.gz GUAHJHDSLVNSRZ-OAHLLOKOSA-N 2 1 312.414 -1.061 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272566623 775778298 /nfs/dbraw/zinc/77/82/98/775778298.db2.gz ABYATGTXKIVOBD-MNOVXSKESA-N 2 1 314.386 -1.800 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272582844 775784321 /nfs/dbraw/zinc/78/43/21/775784321.db2.gz BXHNPDNIRCHKLS-LBPRGKRZSA-N 2 1 307.358 -1.450 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272582841 775784560 /nfs/dbraw/zinc/78/45/60/775784560.db2.gz BXHNPDNIRCHKLS-GFCCVEGCSA-N 2 1 307.358 -1.450 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124838697 775829835 /nfs/dbraw/zinc/82/98/35/775829835.db2.gz YRHSTGGUVFYODN-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP Cn1c(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001124867417 775831864 /nfs/dbraw/zinc/83/18/64/775831864.db2.gz VPUHOGNIAWLFLU-GFCCVEGCSA-N 2 1 323.397 -1.616 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124879323 775832285 /nfs/dbraw/zinc/83/22/85/775832285.db2.gz RJKDQFOIBDVEAA-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124873555 775832448 /nfs/dbraw/zinc/83/24/48/775832448.db2.gz YAXDWQXUBLRGAV-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001125220687 775840509 /nfs/dbraw/zinc/84/05/09/775840509.db2.gz KTRWNFKYJDCWFV-JTQLQIEISA-N 2 1 313.358 -2.425 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001125220687 775840515 /nfs/dbraw/zinc/84/05/15/775840515.db2.gz KTRWNFKYJDCWFV-JTQLQIEISA-N 2 1 313.358 -2.425 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220923 775840832 /nfs/dbraw/zinc/84/08/32/775840832.db2.gz MWPBFDSREAYQSQ-LBPRGKRZSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220923 775840840 /nfs/dbraw/zinc/84/08/40/775840840.db2.gz MWPBFDSREAYQSQ-LBPRGKRZSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125227208 775841437 /nfs/dbraw/zinc/84/14/37/775841437.db2.gz OIPCGKXQJGPKHS-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125227208 775841447 /nfs/dbraw/zinc/84/14/47/775841447.db2.gz OIPCGKXQJGPKHS-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC001125222368 775841492 /nfs/dbraw/zinc/84/14/92/775841492.db2.gz VGIOFNCYRFDTDN-NSHDSACASA-N 2 1 322.431 -2.086 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC001125222368 775841497 /nfs/dbraw/zinc/84/14/97/775841497.db2.gz VGIOFNCYRFDTDN-NSHDSACASA-N 2 1 322.431 -2.086 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001125222274 775841722 /nfs/dbraw/zinc/84/17/22/775841722.db2.gz UOKAAVASBKASSO-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001125222274 775841726 /nfs/dbraw/zinc/84/17/26/775841726.db2.gz UOKAAVASBKASSO-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220190 775841736 /nfs/dbraw/zinc/84/17/36/775841736.db2.gz DUBUJECEXKRPML-QWHCGFSZSA-N 2 1 319.402 -1.953 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220190 775841739 /nfs/dbraw/zinc/84/17/39/775841739.db2.gz DUBUJECEXKRPML-QWHCGFSZSA-N 2 1 319.402 -1.953 20 0 DAADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221361 775842279 /nfs/dbraw/zinc/84/22/79/775842279.db2.gz PJTNHMREXDDOPG-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221361 775842285 /nfs/dbraw/zinc/84/22/85/775842285.db2.gz PJTNHMREXDDOPG-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125227521 775842388 /nfs/dbraw/zinc/84/23/88/775842388.db2.gz UMMGKWVXTUYGTL-UWVGGRQHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125227521 775842396 /nfs/dbraw/zinc/84/23/96/775842396.db2.gz UMMGKWVXTUYGTL-UWVGGRQHSA-N 2 1 315.374 -2.133 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC001127777784 775861136 /nfs/dbraw/zinc/86/11/36/775861136.db2.gz BQNARQAIKAHUHT-CHWSQXEVSA-N 2 1 310.398 -1.166 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777766 775861706 /nfs/dbraw/zinc/86/17/06/775861706.db2.gz BOOKIECLSDCQCR-OLZOCXBDSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777766 775861711 /nfs/dbraw/zinc/86/17/11/775861711.db2.gz BOOKIECLSDCQCR-OLZOCXBDSA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC001127779325 775863053 /nfs/dbraw/zinc/86/30/53/775863053.db2.gz LGPWOCAJQIEOQF-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778869 775863331 /nfs/dbraw/zinc/86/33/31/775863331.db2.gz HHVJXGXAKZNQOQ-CHWSQXEVSA-N 2 1 301.387 -1.436 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784752 775864696 /nfs/dbraw/zinc/86/46/96/775864696.db2.gz BBCLYPQSIQOVAU-STQMWFEESA-N 2 1 308.386 -1.153 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784747 775865018 /nfs/dbraw/zinc/86/50/18/775865018.db2.gz BBCLYPQSIQOVAU-OLZOCXBDSA-N 2 1 308.386 -1.153 20 0 DAADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001239131093 775873086 /nfs/dbraw/zinc/87/30/86/775873086.db2.gz ZORDKBIZOJQQKY-OUAUKWLOSA-N 2 1 305.400 -1.110 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)O1 ZINC001108023439 775923484 /nfs/dbraw/zinc/92/34/84/775923484.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276601 776057701 /nfs/dbraw/zinc/05/77/01/776057701.db2.gz NJRKZQRALDZIPH-AGIUHOORSA-N 2 1 310.402 -1.048 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276601 776057706 /nfs/dbraw/zinc/05/77/06/776057706.db2.gz NJRKZQRALDZIPH-AGIUHOORSA-N 2 1 310.402 -1.048 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099986935 776217092 /nfs/dbraw/zinc/21/70/92/776217092.db2.gz RJDCZCVEDHXLNE-STQMWFEESA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001273358973 776220292 /nfs/dbraw/zinc/22/02/92/776220292.db2.gz PYHFXJQRTSXSMW-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001273358973 776220298 /nfs/dbraw/zinc/22/02/98/776220298.db2.gz PYHFXJQRTSXSMW-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001129329098 776256801 /nfs/dbraw/zinc/25/68/01/776256801.db2.gz URRNRIAJSAWGPW-NSHDSACASA-N 2 1 313.402 -1.135 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100073420 776258144 /nfs/dbraw/zinc/25/81/44/776258144.db2.gz CPJYQJHWXVIOLD-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CN(c1ccnc(N2CC[NH+](C)CC2)n1)S(=O)(=O)CC[NH3+] ZINC001156240920 776283988 /nfs/dbraw/zinc/28/39/88/776283988.db2.gz ZURXFRHTMXQEQU-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129380935 776325187 /nfs/dbraw/zinc/32/51/87/776325187.db2.gz OBMFVRPDMLTOMC-CYBMUJFWSA-N 2 1 322.413 -1.249 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129385481 776328067 /nfs/dbraw/zinc/32/80/67/776328067.db2.gz FOLUJXJIPSBTSW-QWHCGFSZSA-N 2 1 322.413 -1.202 20 0 DAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129385021 776328351 /nfs/dbraw/zinc/32/83/51/776328351.db2.gz CLQXPXDGRKNDSF-QWHCGFSZSA-N 2 1 322.413 -1.250 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(=O)N(C)C ZINC001129386505 776331529 /nfs/dbraw/zinc/33/15/29/776331529.db2.gz MIPDIPBLJDPQSY-QWHCGFSZSA-N 2 1 324.429 -1.004 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129387196 776333018 /nfs/dbraw/zinc/33/30/18/776333018.db2.gz TXJOCAIPHOGLBW-NWDGAFQWSA-N 2 1 308.386 -1.592 20 0 DAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466642 776408761 /nfs/dbraw/zinc/40/87/61/776408761.db2.gz PZEKVIWAPXCTCT-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041103 776444698 /nfs/dbraw/zinc/44/46/98/776444698.db2.gz GPZKSKYRRTVVCT-SRRSOLGSSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041103 776444702 /nfs/dbraw/zinc/44/47/02/776444702.db2.gz GPZKSKYRRTVVCT-SRRSOLGSSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114041103 776444705 /nfs/dbraw/zinc/44/47/05/776444705.db2.gz GPZKSKYRRTVVCT-SRRSOLGSSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041103 776444708 /nfs/dbraw/zinc/44/47/08/776444708.db2.gz GPZKSKYRRTVVCT-SRRSOLGSSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416837 776469002 /nfs/dbraw/zinc/46/90/02/776469002.db2.gz KFYHUTAQNXITFS-JTQLQIEISA-N 2 1 322.369 -1.078 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129465606 776471503 /nfs/dbraw/zinc/47/15/03/776471503.db2.gz MBMFSGOVKRORBR-OLZOCXBDSA-N 2 1 310.402 -1.048 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129465606 776471512 /nfs/dbraw/zinc/47/15/12/776471512.db2.gz MBMFSGOVKRORBR-OLZOCXBDSA-N 2 1 310.402 -1.048 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129465606 776471519 /nfs/dbraw/zinc/47/15/19/776471519.db2.gz MBMFSGOVKRORBR-OLZOCXBDSA-N 2 1 310.402 -1.048 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129465606 776471526 /nfs/dbraw/zinc/47/15/26/776471526.db2.gz MBMFSGOVKRORBR-OLZOCXBDSA-N 2 1 310.402 -1.048 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130075118 776493071 /nfs/dbraw/zinc/49/30/71/776493071.db2.gz MFTJZWVANXHUCT-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107562 776494503 /nfs/dbraw/zinc/49/45/03/776494503.db2.gz QZQJRNXZIGZLNS-NEPJUHHUSA-N 2 1 323.401 -1.553 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)O1 ZINC001130180152 776495170 /nfs/dbraw/zinc/49/51/70/776495170.db2.gz DHPKQWQIMCDECC-GHMZBOCLSA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)O1 ZINC001130180152 776495174 /nfs/dbraw/zinc/49/51/74/776495174.db2.gz DHPKQWQIMCDECC-GHMZBOCLSA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001130180705 776495967 /nfs/dbraw/zinc/49/59/67/776495967.db2.gz VARKQXKRZHCXEZ-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001130180705 776495968 /nfs/dbraw/zinc/49/59/68/776495968.db2.gz VARKQXKRZHCXEZ-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)O1 ZINC001130182575 776497284 /nfs/dbraw/zinc/49/72/84/776497284.db2.gz NTZKQOYSAIUIMT-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)O1 ZINC001130182575 776497291 /nfs/dbraw/zinc/49/72/91/776497291.db2.gz NTZKQOYSAIUIMT-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001130184494 776497554 /nfs/dbraw/zinc/49/75/54/776497554.db2.gz SKVACJGUUZDHSD-OPRDCNLKSA-N 2 1 315.374 -2.005 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001130184494 776497559 /nfs/dbraw/zinc/49/75/59/776497559.db2.gz SKVACJGUUZDHSD-OPRDCNLKSA-N 2 1 315.374 -2.005 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186927 776497912 /nfs/dbraw/zinc/49/79/12/776497912.db2.gz MMEFVKVQOHKPFP-GHMZBOCLSA-N 2 1 311.386 -1.096 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186929 776497946 /nfs/dbraw/zinc/49/79/46/776497946.db2.gz MMEFVKVQOHKPFP-QWRGUYRKSA-N 2 1 311.386 -1.096 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130427941 776509869 /nfs/dbraw/zinc/50/98/69/776509869.db2.gz WDLMKAJIQREPTM-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131380508 776567609 /nfs/dbraw/zinc/56/76/09/776567609.db2.gz OBEIMBOVEMUKOX-UHFFFAOYSA-N 2 1 322.369 -2.144 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001131380193 776567801 /nfs/dbraw/zinc/56/78/01/776567801.db2.gz GDGSQVNNNFTKPZ-UHFFFAOYSA-N 2 1 322.369 -1.114 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001131380111 776568085 /nfs/dbraw/zinc/56/80/85/776568085.db2.gz CIFVUWPGLMEZTM-UHFFFAOYSA-N 2 1 317.415 -1.211 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387227 776569818 /nfs/dbraw/zinc/56/98/18/776569818.db2.gz GUXPYNMPQSSTON-JTQLQIEISA-N 2 1 310.358 -1.259 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001131387362 776570297 /nfs/dbraw/zinc/57/02/97/776570297.db2.gz MVCWOOATNRBCKO-UHFFFAOYSA-N 2 1 303.388 -1.553 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521989 776571247 /nfs/dbraw/zinc/57/12/47/776571247.db2.gz ODZPRTSJLKUHTB-JVWICGRDSA-N 2 1 320.397 -1.153 20 0 DAADMP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519280 776571300 /nfs/dbraw/zinc/57/13/00/776571300.db2.gz CJYFPSKBUGUPGY-OOLXCHQQSA-N 2 1 308.382 -1.556 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519299 776573246 /nfs/dbraw/zinc/57/32/46/776573246.db2.gz CSYSHRVKGYVXOC-OWYJLGKBSA-N 2 1 313.398 -1.436 20 0 DAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131521531 776574637 /nfs/dbraw/zinc/57/46/37/776574637.db2.gz ANKWMBQVYXAHCI-BWAOXVRWSA-N 2 1 322.409 -1.214 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519427 776574934 /nfs/dbraw/zinc/57/49/34/776574934.db2.gz FETZJAHCEVZWRQ-FMPXUHTOSA-N 2 1 313.398 -1.437 20 0 DAADMP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520238 776575116 /nfs/dbraw/zinc/57/51/16/776575116.db2.gz VQKGBMKFQKATSA-LGESCRJUSA-N 2 1 322.409 -1.166 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848845 776642318 /nfs/dbraw/zinc/64/23/18/776642318.db2.gz TZGMJWQMDHWAGJ-STQMWFEESA-N 2 1 303.403 -1.191 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001132892817 776645410 /nfs/dbraw/zinc/64/54/10/776645410.db2.gz BJCITNLUIWYNRC-RYUDHWBXSA-N 2 1 320.459 -1.028 20 0 DAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133823973 776678435 /nfs/dbraw/zinc/67/84/35/776678435.db2.gz USFQIGUPOZTNPN-NSHDSACASA-N 2 1 306.432 -1.274 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863780 776680395 /nfs/dbraw/zinc/68/03/95/776680395.db2.gz PFCZPEYRELPTDW-NEPJUHHUSA-N 2 1 320.459 -1.171 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849677 776680775 /nfs/dbraw/zinc/68/07/75/776680775.db2.gz BSTFLVNEJAQXMX-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133871215 776681114 /nfs/dbraw/zinc/68/11/14/776681114.db2.gz YQALWLFKYFHNBQ-RYUDHWBXSA-N 2 1 320.459 -1.219 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850124 776681316 /nfs/dbraw/zinc/68/13/16/776681316.db2.gz JIXIWWWABGPEOE-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NCC1CC1 ZINC001135350196 776753172 /nfs/dbraw/zinc/75/31/72/776753172.db2.gz PZRTXPADGRIFEO-UHFFFAOYSA-N 2 1 312.414 -1.059 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135352840 776753448 /nfs/dbraw/zinc/75/34/48/776753448.db2.gz VCNROLUHXCWVML-UHFFFAOYSA-N 2 1 312.414 -1.059 20 0 DAADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791740 /nfs/dbraw/zinc/79/17/40/776791740.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CCN(CC(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791743 /nfs/dbraw/zinc/79/17/43/776791743.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792291 /nfs/dbraw/zinc/79/22/91/776792291.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CCN(CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792298 /nfs/dbraw/zinc/79/22/98/776792298.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 1 312.414 -1.245 20 0 DAADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)CN1 ZINC001246162938 776794201 /nfs/dbraw/zinc/79/42/01/776794201.db2.gz SHKWASTXNSALMT-STQMWFEESA-N 2 1 303.403 -1.454 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731953 776835975 /nfs/dbraw/zinc/83/59/75/776835975.db2.gz YSJODWIAPFJIIQ-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731953 776835985 /nfs/dbraw/zinc/83/59/85/776835985.db2.gz YSJODWIAPFJIIQ-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090818900 776856841 /nfs/dbraw/zinc/85/68/41/776856841.db2.gz XLZMVTFLCVWQHW-ZIAGYGMSSA-N 2 1 322.413 -1.075 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001120456338 779522284 /nfs/dbraw/zinc/52/22/84/779522284.db2.gz UIMJZRWZHYASJM-SYQHCUMBSA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001120456336 779522556 /nfs/dbraw/zinc/52/25/56/779522556.db2.gz UIMJZRWZHYASJM-AAVRWANBSA-N 2 1 324.425 -1.103 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001120514988 779523822 /nfs/dbraw/zinc/52/38/22/779523822.db2.gz MBGXGEVKWUQCCG-OLZOCXBDSA-N 2 1 311.430 -1.454 20 0 DAADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC001120524345 779525163 /nfs/dbraw/zinc/52/51/63/779525163.db2.gz JBTDZIRKLBSKBQ-GFCCVEGCSA-N 2 1 311.430 -1.406 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121974263 779553081 /nfs/dbraw/zinc/55/30/81/779553081.db2.gz HWNGZBYZZAUYEQ-GFCCVEGCSA-N 2 1 310.398 -1.355 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001124867165 779604309 /nfs/dbraw/zinc/60/43/09/779604309.db2.gz STVTUHLWQRLTIX-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125204320 779607865 /nfs/dbraw/zinc/60/78/65/779607865.db2.gz ZOAGWZBNEQCGNR-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125204320 779607868 /nfs/dbraw/zinc/60/78/68/779607868.db2.gz ZOAGWZBNEQCGNR-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213655 779607918 /nfs/dbraw/zinc/60/79/18/779607918.db2.gz KIIDJPSKWHYCQG-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213655 779607922 /nfs/dbraw/zinc/60/79/22/779607922.db2.gz KIIDJPSKWHYCQG-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220298 779608059 /nfs/dbraw/zinc/60/80/59/779608059.db2.gz GLGYIRJBJPNPKW-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220298 779608062 /nfs/dbraw/zinc/60/80/62/779608062.db2.gz GLGYIRJBJPNPKW-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001125215032 779609657 /nfs/dbraw/zinc/60/96/57/779609657.db2.gz ZOBRMKOEKGDDIK-LLVKDONJSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001125215032 779609663 /nfs/dbraw/zinc/60/96/63/779609663.db2.gz ZOBRMKOEKGDDIK-LLVKDONJSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150587990 779663680 /nfs/dbraw/zinc/66/36/80/779663680.db2.gz LHLXIJSVNXLBDI-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048998 779668965 /nfs/dbraw/zinc/66/89/65/779668965.db2.gz GNNDBMRHOSMKLX-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151049479 779669588 /nfs/dbraw/zinc/66/95/88/779669588.db2.gz QBWPMLDWBAZSDZ-NSHDSACASA-N 2 1 308.386 -1.034 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151049479 779669590 /nfs/dbraw/zinc/66/95/90/779669590.db2.gz QBWPMLDWBAZSDZ-NSHDSACASA-N 2 1 308.386 -1.034 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001151147003 779673593 /nfs/dbraw/zinc/67/35/93/779673593.db2.gz CVFDTTKFSKFXSP-UHFFFAOYSA-N 2 1 322.369 -2.144 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151748054 779683173 /nfs/dbraw/zinc/68/31/73/779683173.db2.gz CZHLPXJZVHWABT-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151748054 779683178 /nfs/dbraw/zinc/68/31/78/779683178.db2.gz CZHLPXJZVHWABT-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151740406 779684083 /nfs/dbraw/zinc/68/40/83/779684083.db2.gz SHVTWOACDBMDKM-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151740406 779684087 /nfs/dbraw/zinc/68/40/87/779684087.db2.gz SHVTWOACDBMDKM-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155811708 779735919 /nfs/dbraw/zinc/73/59/19/779735919.db2.gz JEGZVQLCBVBFHJ-LLVKDONJSA-N 2 1 306.432 -1.274 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155813053 779736348 /nfs/dbraw/zinc/73/63/48/779736348.db2.gz QVLCGVXAQQFQGH-NSHDSACASA-N 2 1 311.386 -1.272 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001156144896 779740053 /nfs/dbraw/zinc/74/00/53/779740053.db2.gz GYZCEIPWKCFCCE-GHMZBOCLSA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001156144896 779740059 /nfs/dbraw/zinc/74/00/59/779740059.db2.gz GYZCEIPWKCFCCE-GHMZBOCLSA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001156146086 779740939 /nfs/dbraw/zinc/74/09/39/779740939.db2.gz STFXVDRQPIAJET-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001156146086 779740945 /nfs/dbraw/zinc/74/09/45/779740945.db2.gz STFXVDRQPIAJET-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH2+]CCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001156891176 779745950 /nfs/dbraw/zinc/74/59/50/779745950.db2.gz QPQVNDKROWGURY-UHFFFAOYSA-N 2 1 323.401 -1.402 20 0 DAADMP [NH3+]C1CCN(c2cc[nH+]c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)CC1 ZINC001157279093 779750460 /nfs/dbraw/zinc/75/04/60/779750460.db2.gz SGLYGNFZXMVFJA-IMJCEVDSSA-N 2 1 323.397 -1.081 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@H]([NH3+])C(=O)OC ZINC001157323004 779752118 /nfs/dbraw/zinc/75/21/18/779752118.db2.gz IACOCSYEDOTBHC-UWVGGRQHSA-N 2 1 302.375 -1.373 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccnn21 ZINC001157323691 779752221 /nfs/dbraw/zinc/75/22/21/779752221.db2.gz VPZHLHLNHALSER-NWDGAFQWSA-N 2 1 308.386 -1.113 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157536215 779756332 /nfs/dbraw/zinc/75/63/32/779756332.db2.gz IVIIZOFESGDXGJ-WOPDTQHZSA-N 3 1 300.378 -1.053 20 0 DAADMP CN1C[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157536215 779756338 /nfs/dbraw/zinc/75/63/38/779756338.db2.gz IVIIZOFESGDXGJ-WOPDTQHZSA-N 2 1 300.378 -1.053 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862213 779760777 /nfs/dbraw/zinc/76/07/77/779760777.db2.gz CDPCLVSQVXOKHJ-GFCCVEGCSA-N 2 1 323.397 -1.903 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158102722 779767070 /nfs/dbraw/zinc/76/70/70/779767070.db2.gz WDGRSBJQQHFMGK-LRDDRELGSA-N 2 1 323.441 -1.251 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158102723 779767213 /nfs/dbraw/zinc/76/72/13/779767213.db2.gz WDGRSBJQQHFMGK-MLGOLLRUSA-N 2 1 323.441 -1.251 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428781 779775848 /nfs/dbraw/zinc/77/58/48/779775848.db2.gz RZSJZULOWJSGEC-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545946 779778194 /nfs/dbraw/zinc/77/81/94/779778194.db2.gz HULXHULILSWQBT-UEKVPHQBSA-N 2 1 318.381 -1.026 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158890818 779781813 /nfs/dbraw/zinc/78/18/13/779781813.db2.gz NXIDLLVRJCLIPY-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2 ZINC001158890250 779781969 /nfs/dbraw/zinc/78/19/69/779781969.db2.gz BWNBYKZTGGRQTA-OLZOCXBDSA-N 2 1 323.441 -1.121 20 0 DAADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001158890250 779781972 /nfs/dbraw/zinc/78/19/72/779781972.db2.gz BWNBYKZTGGRQTA-OLZOCXBDSA-N 2 1 323.441 -1.121 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001158890250 779781979 /nfs/dbraw/zinc/78/19/79/779781979.db2.gz BWNBYKZTGGRQTA-OLZOCXBDSA-N 2 1 323.441 -1.121 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515993 779794809 /nfs/dbraw/zinc/79/48/09/779794809.db2.gz XVOITPGCDIVHLT-NSHDSACASA-N 2 1 318.385 -1.069 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C[C@H](O)C[NH3+])CC[C@@H]2C1 ZINC001159635371 779795188 /nfs/dbraw/zinc/79/51/88/779795188.db2.gz MHNBRSONQPNLJO-HZSPNIEDSA-N 2 1 315.414 -1.108 20 0 DAADMP OC[C@H]1C[NH2+]C[C@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159678945 779795598 /nfs/dbraw/zinc/79/55/98/779795598.db2.gz AKEYDZCVQSLSAI-ZYHUDNBSSA-N 2 1 320.397 -1.091 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159877969 779796772 /nfs/dbraw/zinc/79/67/72/779796772.db2.gz UFRGSROLBAPVQK-STQMWFEESA-N 2 1 322.413 -1.202 20 0 DAADMP NS(=O)(=O)c1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160517064 779809223 /nfs/dbraw/zinc/80/92/23/779809223.db2.gz ARNIQLZARXJNPU-GFCCVEGCSA-N 2 1 312.399 -1.041 20 0 DAADMP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160495907 779809446 /nfs/dbraw/zinc/80/94/46/779809446.db2.gz ZXMGOPYDRITOTE-LKEWCRSYSA-N 2 1 305.356 -1.721 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705189 779816125 /nfs/dbraw/zinc/81/61/25/779816125.db2.gz UNLIJAUHKSWBOK-MMWGEVLESA-N 2 1 311.386 -2.286 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771973 779818721 /nfs/dbraw/zinc/81/87/21/779818721.db2.gz KLKAKAJSFVPWRK-UHFFFAOYSA-N 2 1 310.398 -1.164 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNCCC[NH3+])C[C@H]1C2 ZINC001160794789 779819899 /nfs/dbraw/zinc/81/98/99/779819899.db2.gz QVSNKRIQQDVWHU-IATRGZMQSA-N 2 1 324.425 -1.218 20 0 DAADMP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811984 779819931 /nfs/dbraw/zinc/81/99/31/779819931.db2.gz CINYVCRTHSWYLM-OXJKWZBOSA-N 2 1 310.398 -1.323 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)O1 ZINC001160862628 779821745 /nfs/dbraw/zinc/82/17/45/779821745.db2.gz SHGCOMALNNDIQV-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)O1 ZINC001160862628 779821752 /nfs/dbraw/zinc/82/17/52/779821752.db2.gz SHGCOMALNNDIQV-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001161049918 779824494 /nfs/dbraw/zinc/82/44/94/779824494.db2.gz JOGDTDALZQATJX-SRVKXCTJSA-N 2 1 300.403 -1.248 20 0 DAADMP O=C1C[NH2+]CCN1CCNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001161018957 779825265 /nfs/dbraw/zinc/82/52/65/779825265.db2.gz HUVMXHONLUXDHY-UHFFFAOYSA-N 2 1 305.386 -1.270 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1 ZINC001161379971 779835673 /nfs/dbraw/zinc/83/56/73/779835673.db2.gz SKAFVKCWYUAKHH-KGLIPLIRSA-N 4 1 307.442 -1.181 20 0 DAADMP C[NH+]1CCN(c2nccnc2N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001162123862 779850866 /nfs/dbraw/zinc/85/08/66/779850866.db2.gz GUNNZMCWRPJPIY-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP [NH3+]C1CCN(c2cccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2)CC1 ZINC001162446158 779858701 /nfs/dbraw/zinc/85/87/01/779858701.db2.gz HCHFGXBRINRRAT-QLFBSQMISA-N 2 1 318.429 -1.494 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606340 779862097 /nfs/dbraw/zinc/86/20/97/779862097.db2.gz PXUMLIMOLCFPNO-UHFFFAOYSA-N 2 1 310.358 -1.257 20 0 DAADMP CN(CC[NH3+])c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001163687773 779868993 /nfs/dbraw/zinc/86/89/93/779868993.db2.gz SXMCBLPJCSNVNM-UHFFFAOYSA-N 2 1 323.401 -1.060 20 0 DAADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939527 779874342 /nfs/dbraw/zinc/87/43/42/779874342.db2.gz BZEJSXKOKOALDG-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939527 779874348 /nfs/dbraw/zinc/87/43/48/779874348.db2.gz BZEJSXKOKOALDG-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP CN(c1cc(N2CC[NH+](C)CC2)ncn1)S(=O)(=O)CC[NH3+] ZINC001164287051 779877520 /nfs/dbraw/zinc/87/75/20/779877520.db2.gz ICONUKGLBOQVMJ-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535735 779879406 /nfs/dbraw/zinc/87/94/06/779879406.db2.gz CUWWGFYZYDXACL-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166691820 779891775 /nfs/dbraw/zinc/89/17/75/779891775.db2.gz NXGUCKDSHNRYJD-NWDGAFQWSA-N 2 1 320.459 -1.171 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001166677200 779891948 /nfs/dbraw/zinc/89/19/48/779891948.db2.gz GQADACGOKARAOL-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166708780 779892136 /nfs/dbraw/zinc/89/21/36/779892136.db2.gz WAMRILRHZLLRMD-MNOVXSKESA-N 2 1 313.402 -1.264 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166667924 779892358 /nfs/dbraw/zinc/89/23/58/779892358.db2.gz LKNAUPWYWPCLNV-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP NC(=O)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)CC[NH2+]1 ZINC001166726015 779893301 /nfs/dbraw/zinc/89/33/01/779893301.db2.gz ULMBUELSEQIKTH-NSHDSACASA-N 2 1 305.386 -1.332 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207683984 779923729 /nfs/dbraw/zinc/92/37/29/779923729.db2.gz JCDPMRNJWCNATF-GHMZBOCLSA-N 2 1 311.386 -1.144 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734168 779924371 /nfs/dbraw/zinc/92/43/71/779924371.db2.gz DQQTYKNCBKBPJO-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734168 779924379 /nfs/dbraw/zinc/92/43/79/779924379.db2.gz DQQTYKNCBKBPJO-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208570511 779943091 /nfs/dbraw/zinc/94/30/91/779943091.db2.gz ZIGSUIPDGLESLO-LLVKDONJSA-N 2 1 322.369 -1.033 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209635938 779953827 /nfs/dbraw/zinc/95/38/27/779953827.db2.gz ZWZNWUQOKRESGP-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209635938 779953830 /nfs/dbraw/zinc/95/38/30/779953830.db2.gz ZWZNWUQOKRESGP-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298688 779962109 /nfs/dbraw/zinc/96/21/09/779962109.db2.gz RGCWLKMWHDHNLY-GRYCIOLGSA-N 2 1 300.403 -1.125 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298688 779962117 /nfs/dbraw/zinc/96/21/17/779962117.db2.gz RGCWLKMWHDHNLY-GRYCIOLGSA-N 2 1 300.403 -1.125 20 0 DAADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578338 779981077 /nfs/dbraw/zinc/98/10/77/779981077.db2.gz MICDJNQRLOIQOE-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578338 779981084 /nfs/dbraw/zinc/98/10/84/779981084.db2.gz MICDJNQRLOIQOE-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857810 779985370 /nfs/dbraw/zinc/98/53/70/779985370.db2.gz XHBIMJJPHBYXCU-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857810 779985375 /nfs/dbraw/zinc/98/53/75/779985375.db2.gz XHBIMJJPHBYXCU-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857810 779985379 /nfs/dbraw/zinc/98/53/79/779985379.db2.gz XHBIMJJPHBYXCU-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCCO ZINC001214386387 779993908 /nfs/dbraw/zinc/99/39/08/779993908.db2.gz GDCLSDOHQVYVOB-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCCO ZINC001214386387 779993916 /nfs/dbraw/zinc/99/39/16/779993916.db2.gz GDCLSDOHQVYVOB-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950664 780003766 /nfs/dbraw/zinc/00/37/66/780003766.db2.gz WFNVIQCCLNBKOQ-FDYHWXHSSA-N 2 1 312.414 -1.112 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950664 780003770 /nfs/dbraw/zinc/00/37/70/780003770.db2.gz WFNVIQCCLNBKOQ-FDYHWXHSSA-N 2 1 312.414 -1.112 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001216801076 780016446 /nfs/dbraw/zinc/01/64/46/780016446.db2.gz INVWODAJWOPSGP-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001216801076 780016452 /nfs/dbraw/zinc/01/64/52/780016452.db2.gz INVWODAJWOPSGP-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn2)CC1 ZINC001218579645 780035128 /nfs/dbraw/zinc/03/51/28/780035128.db2.gz ISVSUNZUOUSEIF-VXGBXAGGSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)cn2)CC1 ZINC001218580552 780035431 /nfs/dbraw/zinc/03/54/31/780035431.db2.gz ROSYFTUOWUAZOQ-NEPJUHHUSA-N 2 1 306.370 -1.110 20 0 DAADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970566 780045659 /nfs/dbraw/zinc/04/56/59/780045659.db2.gz JVYIIHYPDRBEJC-MELADBBJSA-N 2 1 315.414 -1.143 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219593646 780120748 /nfs/dbraw/zinc/12/07/48/780120748.db2.gz BQZDBICWKWNDJZ-SNVBAGLBSA-N 2 1 304.416 -1.393 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001219656255 780128879 /nfs/dbraw/zinc/12/88/79/780128879.db2.gz SEVRIWXGGGABOJ-SYQHCUMBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@H+]1C ZINC001219656255 780128885 /nfs/dbraw/zinc/12/88/85/780128885.db2.gz SEVRIWXGGGABOJ-SYQHCUMBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001219656255 780128892 /nfs/dbraw/zinc/12/88/92/780128892.db2.gz SEVRIWXGGGABOJ-SYQHCUMBSA-N 2 1 315.414 -1.503 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001219656255 780128898 /nfs/dbraw/zinc/12/88/98/780128898.db2.gz SEVRIWXGGGABOJ-SYQHCUMBSA-N 2 1 315.414 -1.503 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671600 780130815 /nfs/dbraw/zinc/13/08/15/780130815.db2.gz KUWZGAKKAHPUPO-WDEREUQCSA-N 2 1 304.416 -1.960 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001219676457 780132079 /nfs/dbraw/zinc/13/20/79/780132079.db2.gz LEXPWCRDIMYBQE-SDDRHHMPSA-N 2 1 316.427 -1.522 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219676603 780132101 /nfs/dbraw/zinc/13/21/01/780132101.db2.gz QMHGBVFBXZLRJS-JGPRNRPPSA-N 2 1 302.400 -2.197 20 0 DAADMP N[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219678164 780132114 /nfs/dbraw/zinc/13/21/14/780132114.db2.gz GAXQRBHTYAJKFB-NSHDSACASA-N 2 1 305.404 -2.972 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001219676723 780132120 /nfs/dbraw/zinc/13/21/20/780132120.db2.gz UTRLQTZCIVEVJW-MNOVXSKESA-N 2 1 320.415 -2.692 20 0 DAADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219676710 780132233 /nfs/dbraw/zinc/13/22/33/780132233.db2.gz UMTHRMCGLXHTMA-NEPJUHHUSA-N 2 1 318.443 -1.274 20 0 DAADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219676711 780132279 /nfs/dbraw/zinc/13/22/79/780132279.db2.gz UMTHRMCGLXHTMA-NWDGAFQWSA-N 2 1 318.443 -1.274 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCC[NH2+]C1 ZINC001219676135 780132299 /nfs/dbraw/zinc/13/22/99/780132299.db2.gz AEYMLYGKJWVSAT-LBPRGKRZSA-N 2 1 318.443 -1.273 20 0 DAADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676580 780132372 /nfs/dbraw/zinc/13/23/72/780132372.db2.gz PNWXHRWGWNZBHY-NWDGAFQWSA-N 2 1 318.443 -1.274 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001219676758 780132406 /nfs/dbraw/zinc/13/24/06/780132406.db2.gz WLYHRUONTMQBHS-WCQYABFASA-N 2 1 316.427 -1.663 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001219676536 780132510 /nfs/dbraw/zinc/13/25/10/780132510.db2.gz OCARMGUZCCDUFT-AAEUAGOBSA-N 2 1 316.427 -1.663 20 0 DAADMP C[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219678210 780132586 /nfs/dbraw/zinc/13/25/86/780132586.db2.gz HIZNAJXEJYVOPN-LBPRGKRZSA-N 2 1 304.416 -1.663 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219678255 780132625 /nfs/dbraw/zinc/13/26/25/780132625.db2.gz ILKCTXIIIKIRTB-WDEREUQCSA-N 2 1 322.406 -1.715 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219678496 780134589 /nfs/dbraw/zinc/13/45/89/780134589.db2.gz QMHGBVFBXZLRJS-URLYPYJESA-N 2 1 302.400 -2.197 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219697606 780135995 /nfs/dbraw/zinc/13/59/95/780135995.db2.gz VDXWPWPEWUIXBZ-LBPRGKRZSA-N 3 1 312.414 -1.720 20 0 DAADMP CN1C[C@@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219697606 780135998 /nfs/dbraw/zinc/13/59/98/780135998.db2.gz VDXWPWPEWUIXBZ-LBPRGKRZSA-N 2 1 312.414 -1.720 20 0 DAADMP CCOC(=O)C1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C[NH2+]C1 ZINC001219764563 780144475 /nfs/dbraw/zinc/14/44/75/780144475.db2.gz IBHPYAUYQGZFDW-NEPJUHHUSA-N 2 1 310.398 -1.451 20 0 DAADMP CCOC(=O)C1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C[NH2+]C1 ZINC001219764563 780144479 /nfs/dbraw/zinc/14/44/79/780144479.db2.gz IBHPYAUYQGZFDW-NEPJUHHUSA-N 2 1 310.398 -1.451 20 0 DAADMP [NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1=O ZINC001219764441 780144488 /nfs/dbraw/zinc/14/44/88/780144488.db2.gz FSSPDMKCGFLARK-RDBSUJKOSA-N 2 1 323.441 -1.264 20 0 DAADMP [NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1=O ZINC001219764441 780144491 /nfs/dbraw/zinc/14/44/91/780144491.db2.gz FSSPDMKCGFLARK-RDBSUJKOSA-N 2 1 323.441 -1.264 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC001219806315 780149642 /nfs/dbraw/zinc/14/96/42/780149642.db2.gz RFBWAQZFHBHUQT-GLXFQSAKSA-N 2 1 303.366 -1.039 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219803922 780149814 /nfs/dbraw/zinc/14/98/14/780149814.db2.gz IDMITAFFEPGDPY-HZSPNIEDSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219803922 780149818 /nfs/dbraw/zinc/14/98/18/780149818.db2.gz IDMITAFFEPGDPY-HZSPNIEDSA-N 2 1 315.414 -1.503 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CCN1 ZINC001219806462 780149961 /nfs/dbraw/zinc/14/99/61/780149961.db2.gz XQFYNMJXIBVSNU-LLVKDONJSA-N 2 1 306.370 -2.086 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219805752 780150048 /nfs/dbraw/zinc/15/00/48/780150048.db2.gz RCHGBJOZDSRCBH-RDBSUJKOSA-N 2 1 322.413 -1.220 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219805752 780150052 /nfs/dbraw/zinc/15/00/52/780150052.db2.gz RCHGBJOZDSRCBH-RDBSUJKOSA-N 2 1 322.413 -1.220 20 0 DAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805874 780150114 /nfs/dbraw/zinc/15/01/14/780150114.db2.gz FLYDMORCFAVHKN-LBPRGKRZSA-N 3 1 322.413 -1.191 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001219806443 780150167 /nfs/dbraw/zinc/15/01/67/780150167.db2.gz WSSXQFFKTFPUHP-CMPLNLGQSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219806270 780150214 /nfs/dbraw/zinc/15/02/14/780150214.db2.gz PXYGCXUZLJLAHO-QWRGUYRKSA-N 2 1 307.354 -2.067 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219806135 780150393 /nfs/dbraw/zinc/15/03/93/780150393.db2.gz LABPRSYZWBNWQM-YABSGUDNSA-N 2 1 303.366 -1.182 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814127 780151858 /nfs/dbraw/zinc/15/18/58/780151858.db2.gz UCOGAIJTRUJWFX-MCIONIFRSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814127 780151863 /nfs/dbraw/zinc/15/18/63/780151863.db2.gz UCOGAIJTRUJWFX-MCIONIFRSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814127 780151868 /nfs/dbraw/zinc/15/18/68/780151868.db2.gz UCOGAIJTRUJWFX-MCIONIFRSA-N 2 1 315.414 -1.361 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833344 780153446 /nfs/dbraw/zinc/15/34/46/780153446.db2.gz CCQDRARTRBEHJU-LNSITVRQSA-N 2 1 323.397 -1.209 20 0 DAADMP C[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COCC[NH2+]1 ZINC001219838209 780154721 /nfs/dbraw/zinc/15/47/21/780154721.db2.gz ORGNFNKKPNWAFO-YUELXQCFSA-N 2 1 313.398 -1.124 20 0 DAADMP [NH3+]CCCNCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836748 780155279 /nfs/dbraw/zinc/15/52/79/780155279.db2.gz DPZPMGDKMFZSIG-GXTWGEPZSA-N 2 1 300.403 -1.564 20 0 DAADMP [NH3+]CCCNCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836751 780155385 /nfs/dbraw/zinc/15/53/85/780155385.db2.gz DPZPMGDKMFZSIG-TZMCWYRMSA-N 2 1 300.403 -1.564 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001219902720 780160732 /nfs/dbraw/zinc/16/07/32/780160732.db2.gz IDTDPDUNAYLFHD-UPJWGTAASA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219902720 780160735 /nfs/dbraw/zinc/16/07/35/780160735.db2.gz IDTDPDUNAYLFHD-UPJWGTAASA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219902720 780160737 /nfs/dbraw/zinc/16/07/37/780160737.db2.gz IDTDPDUNAYLFHD-UPJWGTAASA-N 2 1 317.430 -1.115 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220269220 780198518 /nfs/dbraw/zinc/19/85/18/780198518.db2.gz SYEMCRCCERPXOR-KGLIPLIRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220269220 780198521 /nfs/dbraw/zinc/19/85/21/780198521.db2.gz SYEMCRCCERPXOR-KGLIPLIRSA-N 2 1 315.414 -1.502 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269139 780198613 /nfs/dbraw/zinc/19/86/13/780198613.db2.gz QHYVLFYDMLJUNH-MJBXVCDLSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220276871 780198886 /nfs/dbraw/zinc/19/88/86/780198886.db2.gz LVYWHZQWDHORNL-NEPJUHHUSA-N 2 1 313.402 -1.875 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220276871 780198890 /nfs/dbraw/zinc/19/88/90/780198890.db2.gz LVYWHZQWDHORNL-NEPJUHHUSA-N 2 1 313.402 -1.875 20 0 DAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001220290168 780199657 /nfs/dbraw/zinc/19/96/57/780199657.db2.gz PLYSVXVXDQXSCM-HZSPNIEDSA-N 2 1 317.430 -1.257 20 0 DAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001220290168 780199662 /nfs/dbraw/zinc/19/96/62/780199662.db2.gz PLYSVXVXDQXSCM-HZSPNIEDSA-N 2 1 317.430 -1.257 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297285 780200252 /nfs/dbraw/zinc/20/02/52/780200252.db2.gz SXODHOSFOBTYGD-RFQIPJPRSA-N 2 1 317.430 -1.259 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220379980 780208033 /nfs/dbraw/zinc/20/80/33/780208033.db2.gz LTTOCSQZOHWXPH-AGIUHOORSA-N 2 1 310.402 -1.220 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220379980 780208038 /nfs/dbraw/zinc/20/80/38/780208038.db2.gz LTTOCSQZOHWXPH-AGIUHOORSA-N 2 1 310.402 -1.220 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001220377866 780208113 /nfs/dbraw/zinc/20/81/13/780208113.db2.gz RDGSAXKRDXQRSG-RNJOBUHISA-N 2 1 303.403 -1.505 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001220377865 780209167 /nfs/dbraw/zinc/20/91/67/780209167.db2.gz RDGSAXKRDXQRSG-NDBYEHHHSA-N 2 1 303.403 -1.505 20 0 DAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387905 780209247 /nfs/dbraw/zinc/20/92/47/780209247.db2.gz VETTWDVYAVXJRW-MJBXVCDLSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387905 780209266 /nfs/dbraw/zinc/20/92/66/780209266.db2.gz VETTWDVYAVXJRW-MJBXVCDLSA-N 2 1 315.414 -1.359 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCOCCOCC[NH3+] ZINC001220519090 780221379 /nfs/dbraw/zinc/22/13/79/780221379.db2.gz AOMJMQPFPKXQNL-ZDUSSCGKSA-N 2 1 317.434 -2.155 20 0 DAADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553236 780225933 /nfs/dbraw/zinc/22/59/33/780225933.db2.gz CYXDWGAUEGBIGB-UPJWGTAASA-N 2 1 301.387 -1.749 20 0 DAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553236 780225936 /nfs/dbraw/zinc/22/59/36/780225936.db2.gz CYXDWGAUEGBIGB-UPJWGTAASA-N 2 1 301.387 -1.749 20 0 DAADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553239 780226673 /nfs/dbraw/zinc/22/66/73/780226673.db2.gz CYXDWGAUEGBIGB-XQQFMLRXSA-N 2 1 301.387 -1.749 20 0 DAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553239 780226682 /nfs/dbraw/zinc/22/66/82/780226682.db2.gz CYXDWGAUEGBIGB-XQQFMLRXSA-N 2 1 301.387 -1.749 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220582899 780230765 /nfs/dbraw/zinc/23/07/65/780230765.db2.gz JWCDJIOZAHTDHW-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220582899 780230768 /nfs/dbraw/zinc/23/07/68/780230768.db2.gz JWCDJIOZAHTDHW-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768401 780244931 /nfs/dbraw/zinc/24/49/31/780244931.db2.gz KAIYTQVZCFMUNN-UPJWGTAASA-N 2 1 319.402 -2.267 20 0 DAADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768355 780245895 /nfs/dbraw/zinc/24/58/95/780245895.db2.gz IJCNBYMZHHNHPN-UPJWGTAASA-N 2 1 303.403 -1.239 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771144 780247483 /nfs/dbraw/zinc/24/74/83/780247483.db2.gz GNLQMJOYFRLROE-OLZOCXBDSA-N 2 1 313.398 -1.748 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771144 780247486 /nfs/dbraw/zinc/24/74/86/780247486.db2.gz GNLQMJOYFRLROE-OLZOCXBDSA-N 2 1 313.398 -1.748 20 0 DAADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768689 780247552 /nfs/dbraw/zinc/24/75/52/780247552.db2.gz YPGUJMBWXFRHAC-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806412 780248639 /nfs/dbraw/zinc/24/86/39/780248639.db2.gz BQGYCJMPYHSOGN-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP CSCC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220839842 780250754 /nfs/dbraw/zinc/25/07/54/780250754.db2.gz DSJQIIDRSJRXSG-MNOVXSKESA-N 2 1 317.459 -1.540 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001220829526 780250974 /nfs/dbraw/zinc/25/09/74/780250974.db2.gz WCWPGWFVLWHETJ-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CCOC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CNC1 ZINC001220851224 780252527 /nfs/dbraw/zinc/25/25/27/780252527.db2.gz MXJDRAPFSNOUFN-NSHDSACASA-N 2 1 310.398 -1.118 20 0 DAADMP CCOC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CNC1 ZINC001220851223 780252632 /nfs/dbraw/zinc/25/26/32/780252632.db2.gz MXJDRAPFSNOUFN-LLVKDONJSA-N 2 1 310.398 -1.118 20 0 DAADMP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220875092 780254370 /nfs/dbraw/zinc/25/43/70/780254370.db2.gz SENQLUCKQMOPBU-NSHDSACASA-N 2 1 313.402 -1.976 20 0 DAADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874197 780254464 /nfs/dbraw/zinc/25/44/64/780254464.db2.gz DIHZSVMHGBQFPM-LBPRGKRZSA-N 2 1 313.402 -1.832 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cncc2c1CC[NH2+]C2 ZINC001220876988 780254593 /nfs/dbraw/zinc/25/45/93/780254593.db2.gz QYKCVUPBDRZACJ-UHFFFAOYSA-N 2 1 303.366 -1.111 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001220871899 780254704 /nfs/dbraw/zinc/25/47/04/780254704.db2.gz BTCOCWUUKOBMMM-LBPRGKRZSA-N 2 1 310.398 -1.307 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001220872168 780254881 /nfs/dbraw/zinc/25/48/81/780254881.db2.gz MQVREGSHSXBPCO-WFASDCNBSA-N 2 1 310.398 -1.307 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220875257 780254937 /nfs/dbraw/zinc/25/49/37/780254937.db2.gz ZPOBMBSPUHHQKX-KGLIPLIRSA-N 2 1 323.441 -1.392 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001220872165 780254946 /nfs/dbraw/zinc/25/49/46/780254946.db2.gz MQVREGSHSXBPCO-DOMZBBRYSA-N 2 1 310.398 -1.307 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001220872109 780255042 /nfs/dbraw/zinc/25/50/42/780255042.db2.gz KLIQKUIZFGJRBZ-LBPRGKRZSA-N 2 1 310.398 -1.307 20 0 DAADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874709 780255142 /nfs/dbraw/zinc/25/51/42/780255142.db2.gz MTFCMDZGLNFPNV-GHMZBOCLSA-N 2 1 312.370 -2.067 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCOCCN1C(=O)C=CC1=O ZINC001220876372 780255203 /nfs/dbraw/zinc/25/52/03/780255203.db2.gz JBAYGAPWQOASLE-UHFFFAOYSA-N 2 1 324.381 -1.614 20 0 DAADMP [NH3+]CCN(CCNC(=O)C[NH2+]C1CC[NH2+]CC1)N(O)N=O ZINC001220900332 780256174 /nfs/dbraw/zinc/25/61/74/780256174.db2.gz HHHHCNFCIGFGCF-UHFFFAOYSA-N 3 1 303.367 -2.008 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220981544 780267759 /nfs/dbraw/zinc/26/77/59/780267759.db2.gz WSHCYDSBDFEQLO-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2O)C1 ZINC001221019948 780271832 /nfs/dbraw/zinc/27/18/32/780271832.db2.gz ACHQTHSVNQYFEB-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2O)C1 ZINC001221019948 780271838 /nfs/dbraw/zinc/27/18/38/780271838.db2.gz ACHQTHSVNQYFEB-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019948 780271846 /nfs/dbraw/zinc/27/18/46/780271846.db2.gz ACHQTHSVNQYFEB-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019948 780271852 /nfs/dbraw/zinc/27/18/52/780271852.db2.gz ACHQTHSVNQYFEB-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221244318 780285460 /nfs/dbraw/zinc/28/54/60/780285460.db2.gz WGJAMDVPQONLSJ-PKFCDNJMSA-N 2 1 313.402 -1.706 20 0 DAADMP C[N@H+]1CCC[C@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221241330 780285941 /nfs/dbraw/zinc/28/59/41/780285941.db2.gz SOSWOIFYOBEQPV-LBPRGKRZSA-N 2 1 306.432 -1.193 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266885 780287636 /nfs/dbraw/zinc/28/76/36/780287636.db2.gz YYBRLDAYJKBHFN-LPEHRKFASA-N 2 1 321.407 -4.274 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@@H]2NCN[C@H]21 ZINC001221265400 780287985 /nfs/dbraw/zinc/28/79/85/780287985.db2.gz LJWJOXCVINTOLA-AIUMHDJVSA-N 2 1 324.429 -1.946 20 0 DAADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265569 780288286 /nfs/dbraw/zinc/28/82/86/780288286.db2.gz MOXIVIWZMNYLDV-YJQGPUDQSA-N 2 1 300.407 -1.962 20 0 DAADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001221267021 780288801 /nfs/dbraw/zinc/28/88/01/780288801.db2.gz ZNKSNPUOLTVVGN-WTPMCQDGSA-N 2 1 312.418 -1.949 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@H]2NCN[C@H]21 ZINC001221265403 780289112 /nfs/dbraw/zinc/28/91/12/780289112.db2.gz LJWJOXCVINTOLA-WHPHWUKISA-N 2 1 324.429 -1.946 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1 ZINC001221316912 780290703 /nfs/dbraw/zinc/29/07/03/780290703.db2.gz NVMPFKWRDCSAIT-LBPRGKRZSA-N 2 1 308.382 -1.041 20 0 DAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221946752 780304934 /nfs/dbraw/zinc/30/49/34/780304934.db2.gz ALRQGGQYARYYSM-MGPQQGTHSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221946752 780304941 /nfs/dbraw/zinc/30/49/41/780304941.db2.gz ALRQGGQYARYYSM-MGPQQGTHSA-N 2 1 324.425 -1.014 20 0 DAADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226721968 780335739 /nfs/dbraw/zinc/33/57/39/780335739.db2.gz BFFPEPMCDLFHMQ-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721968 780335744 /nfs/dbraw/zinc/33/57/44/780335744.db2.gz BFFPEPMCDLFHMQ-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001281603529 780390427 /nfs/dbraw/zinc/39/04/27/780390427.db2.gz QLSPMQCUSVBWPB-LBPRGKRZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001281603529 780390436 /nfs/dbraw/zinc/39/04/36/780390436.db2.gz QLSPMQCUSVBWPB-LBPRGKRZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001281603528 780390501 /nfs/dbraw/zinc/39/05/01/780390501.db2.gz QLSPMQCUSVBWPB-GFCCVEGCSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001281603528 780390509 /nfs/dbraw/zinc/39/05/09/780390509.db2.gz QLSPMQCUSVBWPB-GFCCVEGCSA-N 2 1 301.387 -1.748 20 0 DAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)O1 ZINC001234982871 780413024 /nfs/dbraw/zinc/41/30/24/780413024.db2.gz WPQNHXHTNKXSGQ-COMQUAJESA-N 2 1 315.414 -1.503 20 0 DAADMP [NH3+][C@@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1O ZINC001239406474 780444684 /nfs/dbraw/zinc/44/46/84/780444684.db2.gz LSEVAVNRLZDHRA-VXGBXAGGSA-N 2 1 302.444 -1.023 20 0 DAADMP O[C@H](CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025440 780447592 /nfs/dbraw/zinc/44/75/92/780447592.db2.gz REFGIZYWAVIHTG-KKUMJFAQSA-N 3 1 312.458 -1.122 20 0 DAADMP CCCOC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001245993641 780448083 /nfs/dbraw/zinc/44/80/83/780448083.db2.gz OFINTJDARWWYRM-LBPRGKRZSA-N 2 1 309.432 -1.402 20 0 DAADMP O[C@@H](C[NH2+]Cc1nnn2c1C[NH2+]CCC2)CC1(O)CC[NH2+]CC1 ZINC001245985656 780448211 /nfs/dbraw/zinc/44/82/11/780448211.db2.gz MSQNAJOISJFOJF-GFCCVEGCSA-N 3 1 324.429 -1.274 20 0 DAADMP O=C1C[NH2+]CCN1CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246008650 780448257 /nfs/dbraw/zinc/44/82/57/780448257.db2.gz DIIPAYVWLJQBBE-GFCCVEGCSA-N 3 1 300.403 -2.127 20 0 DAADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246046886 780449328 /nfs/dbraw/zinc/44/93/28/780449328.db2.gz APCQXTNPHLTQOI-CABCVRRESA-N 3 1 312.458 -1.041 20 0 DAADMP COC(=O)[C@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047913 780449401 /nfs/dbraw/zinc/44/94/01/780449401.db2.gz VDOIKPAWCJVGRV-IXRFVVGDSA-N 2 1 312.366 -1.149 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC1(O)CCOCC1 ZINC001246052879 780449590 /nfs/dbraw/zinc/44/95/90/780449590.db2.gz MGPYDZSZGKSNCG-UHFFFAOYSA-N 3 1 302.419 -1.356 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC1(O)CCOCC1 ZINC001246052879 780449595 /nfs/dbraw/zinc/44/95/95/780449595.db2.gz MGPYDZSZGKSNCG-UHFFFAOYSA-N 3 1 302.419 -1.356 20 0 DAADMP O=S(=O)(CC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246102719 780450898 /nfs/dbraw/zinc/45/08/98/780450898.db2.gz SPSNJYMDPKFDOL-NSHDSACASA-N 3 1 320.484 -1.342 20 0 DAADMP O=S1(=O)CC[C@@H](NC2C[C@@H]3COC[C@H](C2)[NH2+]3)C12C[NH2+]C2 ZINC001246144994 780451034 /nfs/dbraw/zinc/45/10/34/780451034.db2.gz LHHGDGLQYFOTBH-FGNRJIRKSA-N 2 1 301.412 -1.376 20 0 DAADMP O=C([C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246240336 780452302 /nfs/dbraw/zinc/45/23/02/780452302.db2.gz VGAVWNAUVDJIBT-QNWHQSFQSA-N 2 1 314.455 -1.190 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246214815 780453104 /nfs/dbraw/zinc/45/31/04/780453104.db2.gz SNYWEMNNCYMQFZ-MNOVXSKESA-N 3 1 312.418 -1.525 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246334699 780454193 /nfs/dbraw/zinc/45/41/93/780454193.db2.gz PBWNNFRQJBSADD-DCAQKATOSA-N 2 1 316.427 -1.270 20 0 DAADMP COC(=O)[C@@H]1C[C@H](n2cncc2CCNC(=O)CC[NH3+])C[NH2+]1 ZINC001246322022 780454495 /nfs/dbraw/zinc/45/44/95/780454495.db2.gz GTGBFJMNRWCHEB-RYUDHWBXSA-N 2 1 309.370 -1.033 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670071 780456726 /nfs/dbraw/zinc/45/67/26/780456726.db2.gz WCUQXADBOZIBAL-NFAWXSAZSA-N 2 1 313.398 -1.029 20 0 DAADMP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773316 780456749 /nfs/dbraw/zinc/45/67/49/780456749.db2.gz AOUUCWPEPRYYBW-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773316 780456753 /nfs/dbraw/zinc/45/67/53/780456753.db2.gz AOUUCWPEPRYYBW-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246761879 780456850 /nfs/dbraw/zinc/45/68/50/780456850.db2.gz WNFZWYZMQDWQQK-CJNGLKHVSA-N 2 1 321.425 -1.497 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670070 780457062 /nfs/dbraw/zinc/45/70/62/780457062.db2.gz WCUQXADBOZIBAL-KCQAQPDRSA-N 2 1 313.398 -1.029 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651992 780457149 /nfs/dbraw/zinc/45/71/49/780457149.db2.gz NMHNTJFCVPZCDR-TYNCELHUSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960857 780458026 /nfs/dbraw/zinc/45/80/26/780458026.db2.gz OQWFXKXGGCUFJP-CHWSQXEVSA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960857 780458027 /nfs/dbraw/zinc/45/80/27/780458027.db2.gz OQWFXKXGGCUFJP-CHWSQXEVSA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910757 780458065 /nfs/dbraw/zinc/45/80/65/780458065.db2.gz LJYDWDAIFLUYNP-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960859 780458229 /nfs/dbraw/zinc/45/82/29/780458229.db2.gz OQWFXKXGGCUFJP-OLZOCXBDSA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960859 780458234 /nfs/dbraw/zinc/45/82/34/780458234.db2.gz OQWFXKXGGCUFJP-OLZOCXBDSA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910760 780458332 /nfs/dbraw/zinc/45/83/32/780458332.db2.gz LJYDWDAIFLUYNP-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@H+]1CCCN(CC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251039703 780464944 /nfs/dbraw/zinc/46/49/44/780464944.db2.gz KJSQHQZXLZXBLC-HNNXBMFYSA-N 2 1 300.447 -1.093 20 0 DAADMP C[N@H+]1CCCN(CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251039704 780465043 /nfs/dbraw/zinc/46/50/43/780465043.db2.gz KJSQHQZXLZXBLC-OAHLLOKOSA-N 2 1 300.447 -1.093 20 0 DAADMP NC(=O)C([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(N)=O ZINC001254048378 780480509 /nfs/dbraw/zinc/48/05/09/780480509.db2.gz KUHNKBZTRNNIFQ-UHFFFAOYSA-N 2 1 320.393 -1.058 20 0 DAADMP C[C@@H]1O[C@@H](OCC[NH2+]C2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001256201964 780508229 /nfs/dbraw/zinc/50/82/29/780508229.db2.gz PFKKUIHOOKERTP-QIWZIZFYSA-N 2 1 304.387 -1.486 20 0 DAADMP [NH3+][C@@H]1NCN(C2CCC([NH+]3CCOCC3)CC2)[C@H]2NCN[C@@H]21 ZINC001256686782 780510206 /nfs/dbraw/zinc/51/02/06/780510206.db2.gz DHSBTRBQUAGQRZ-CLACGNGHSA-N 2 1 310.446 -1.378 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554716 780549144 /nfs/dbraw/zinc/54/91/44/780549144.db2.gz LILZVROAGFZQMS-FVCCEPFGSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001262034002 780565282 /nfs/dbraw/zinc/56/52/82/780565282.db2.gz OTXTWKXUTIBHEL-NSHDSACASA-N 2 1 313.402 -1.880 20 0 DAADMP C[NH+]1CCC(NC(=O)C[N@H+](CCO)CCOCCO)CC1 ZINC001262014735 780565364 /nfs/dbraw/zinc/56/53/64/780565364.db2.gz QXYQPAIQDZUVAQ-UHFFFAOYSA-N 2 1 303.403 -1.500 20 0 DAADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCOCCO)CC1 ZINC001262014735 780565371 /nfs/dbraw/zinc/56/53/71/780565371.db2.gz QXYQPAIQDZUVAQ-UHFFFAOYSA-N 2 1 303.403 -1.500 20 0 DAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001262203396 780567841 /nfs/dbraw/zinc/56/78/41/780567841.db2.gz SMCWYMZCEQHIQR-CQSZACIVSA-N 2 1 323.441 -1.296 20 0 DAADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001264525908 780586575 /nfs/dbraw/zinc/58/65/75/780586575.db2.gz YKIFAGPFDPJXTJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001264525908 780586580 /nfs/dbraw/zinc/58/65/80/780586580.db2.gz YKIFAGPFDPJXTJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264970511 780588180 /nfs/dbraw/zinc/58/81/80/780588180.db2.gz URQJUWGOUILAJW-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264970511 780588184 /nfs/dbraw/zinc/58/81/84/780588184.db2.gz URQJUWGOUILAJW-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001264970511 780588185 /nfs/dbraw/zinc/58/81/85/780588185.db2.gz URQJUWGOUILAJW-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265531254 780603443 /nfs/dbraw/zinc/60/34/43/780603443.db2.gz DQFKDYVUQAVGKQ-GRYCIOLGSA-N 2 1 318.443 -1.133 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966883 780615990 /nfs/dbraw/zinc/61/59/90/780615990.db2.gz INWTYWXPPCJUHL-KGLIPLIRSA-N 2 1 315.414 -1.236 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966883 780615995 /nfs/dbraw/zinc/61/59/95/780615995.db2.gz INWTYWXPPCJUHL-KGLIPLIRSA-N 2 1 315.414 -1.236 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283830870 780782012 /nfs/dbraw/zinc/78/20/12/780782012.db2.gz HKZFEHJCZAESBL-WDEREUQCSA-N 2 1 314.386 -1.802 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001284893476 780843752 /nfs/dbraw/zinc/84/37/52/780843752.db2.gz QSTBWRLPNADGOG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850814 781409424 /nfs/dbraw/zinc/40/94/24/781409424.db2.gz IJUZSOUOWBUHRC-JHJVBQTASA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850814 781409429 /nfs/dbraw/zinc/40/94/29/781409429.db2.gz IJUZSOUOWBUHRC-JHJVBQTASA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001146710294 781418686 /nfs/dbraw/zinc/41/86/86/781418686.db2.gz JZBVYTOQWPMMKY-SNVBAGLBSA-N 2 1 301.391 -1.122 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001147211955 781435117 /nfs/dbraw/zinc/43/51/17/781435117.db2.gz KGMFIRPVPWBRCY-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001147211955 781435121 /nfs/dbraw/zinc/43/51/21/781435121.db2.gz KGMFIRPVPWBRCY-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147211955 781435127 /nfs/dbraw/zinc/43/51/27/781435127.db2.gz KGMFIRPVPWBRCY-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147211955 781435135 /nfs/dbraw/zinc/43/51/35/781435135.db2.gz KGMFIRPVPWBRCY-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147899981 781460419 /nfs/dbraw/zinc/46/04/19/781460419.db2.gz FTMFXFRYTCRGAL-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605774 781476535 /nfs/dbraw/zinc/47/65/35/781476535.db2.gz UTVMTODTMDCLQV-LBPRGKRZSA-N 2 1 312.414 -1.027 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605773 781476732 /nfs/dbraw/zinc/47/67/32/781476732.db2.gz UTVMTODTMDCLQV-GFCCVEGCSA-N 2 1 312.414 -1.027 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001171762642 781587981 /nfs/dbraw/zinc/58/79/81/781587981.db2.gz JBERYNWKLUBDAG-UHFFFAOYSA-N 2 1 301.391 -1.120 20 0 DAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110747 781590220 /nfs/dbraw/zinc/59/02/20/781590220.db2.gz OJIVZDTXVVXDIY-ZWXHQPAFSA-N 2 1 316.398 -1.609 20 0 DAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110747 781590224 /nfs/dbraw/zinc/59/02/24/781590224.db2.gz OJIVZDTXVVXDIY-ZWXHQPAFSA-N 2 1 316.398 -1.609 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176063274 781613412 /nfs/dbraw/zinc/61/34/12/781613412.db2.gz APDBBKSOTXNDJS-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP CN(CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001176058096 781613469 /nfs/dbraw/zinc/61/34/69/781613469.db2.gz UMKUIGVGTCBKGP-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001176056643 781613548 /nfs/dbraw/zinc/61/35/48/781613548.db2.gz JAPAPNBTLWJGOJ-NSHDSACASA-N 2 1 306.432 -1.417 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001176055957 781613696 /nfs/dbraw/zinc/61/36/96/781613696.db2.gz CIMVFEXKTJSNRR-LLVKDONJSA-N 2 1 311.386 -1.414 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001176072545 781614220 /nfs/dbraw/zinc/61/42/20/781614220.db2.gz XVBNTGOGGVXQHM-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001176627639 781620493 /nfs/dbraw/zinc/62/04/93/781620493.db2.gz LUFKHEVEUINHKP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001176627639 781620496 /nfs/dbraw/zinc/62/04/96/781620496.db2.gz LUFKHEVEUINHKP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)C1 ZINC001176643910 781622312 /nfs/dbraw/zinc/62/23/12/781622312.db2.gz JIJOOLMERDOIJJ-OLZOCXBDSA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)C1 ZINC001176643910 781622315 /nfs/dbraw/zinc/62/23/15/781622315.db2.gz JIJOOLMERDOIJJ-OLZOCXBDSA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176635675 781622652 /nfs/dbraw/zinc/62/26/52/781622652.db2.gz DRLIINPSKGQKGH-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176635675 781622655 /nfs/dbraw/zinc/62/26/55/781622655.db2.gz DRLIINPSKGQKGH-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972295 781627946 /nfs/dbraw/zinc/62/79/46/781627946.db2.gz VLFQWRXPIUVMAF-UHFFFAOYSA-N 2 1 301.391 -1.122 20 0 DAADMP C[NH+]1CCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001178956452 781653990 /nfs/dbraw/zinc/65/39/90/781653990.db2.gz UKARJSKGIPEIDP-UHFFFAOYSA-N 2 1 303.367 -2.102 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124690 781665963 /nfs/dbraw/zinc/66/59/63/781665963.db2.gz MTQUGQNJGWMNBW-AXFHLTTASA-N 2 1 311.386 -1.288 20 0 DAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049387 781689138 /nfs/dbraw/zinc/68/91/38/781689138.db2.gz MUXWJTIFDPZFCK-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151044072 781689543 /nfs/dbraw/zinc/68/95/43/781689543.db2.gz NEZYGOIHQZFOBO-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001181652615 781690895 /nfs/dbraw/zinc/69/08/95/781690895.db2.gz NNIDHNIPIXXSTJ-VXGBXAGGSA-N 2 1 318.443 -1.180 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001182676585 781711349 /nfs/dbraw/zinc/71/13/49/781711349.db2.gz NHDJLTHCMHOWPQ-GMTAPVOTSA-N 2 1 311.386 -1.288 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184433788 781747424 /nfs/dbraw/zinc/74/74/24/781747424.db2.gz NHHCXZGUBUTACZ-LGESCRJUSA-N 2 1 322.409 -1.214 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001185267541 781756971 /nfs/dbraw/zinc/75/69/71/781756971.db2.gz ULHFUEWMYLSZKN-JTQLQIEISA-N 2 1 303.367 -2.103 20 0 DAADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185651099 781761997 /nfs/dbraw/zinc/76/19/97/781761997.db2.gz RTZOHWXWWWZRPZ-GHMZBOCLSA-N 2 1 311.386 -1.144 20 0 DAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)O1 ZINC001186055325 781772330 /nfs/dbraw/zinc/77/23/30/781772330.db2.gz PGFRITUNHNRWFS-BYNQJWBRSA-N 2 1 301.387 -1.106 20 0 DAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)O1 ZINC001186055325 781772334 /nfs/dbraw/zinc/77/23/34/781772334.db2.gz PGFRITUNHNRWFS-BYNQJWBRSA-N 2 1 301.387 -1.106 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355560 781777016 /nfs/dbraw/zinc/77/70/16/781777016.db2.gz GNDHMEXTXGWFTN-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186356562 781777097 /nfs/dbraw/zinc/77/70/97/781777097.db2.gz XHFGYZRSWMSYRY-CQSZACIVSA-N 2 1 315.414 -1.092 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@H+]1C ZINC001273546756 781806924 /nfs/dbraw/zinc/80/69/24/781806924.db2.gz SRQXFOAILMLBOM-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001187851809 781808088 /nfs/dbraw/zinc/80/80/88/781808088.db2.gz VDGJIMXCCRJERV-GXSJLCMTSA-N 2 1 322.369 -1.035 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187824964 781808248 /nfs/dbraw/zinc/80/82/48/781808248.db2.gz DOKOSAWHRKLWMM-WDEREUQCSA-N 2 1 311.386 -1.416 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001187982143 781811141 /nfs/dbraw/zinc/81/11/41/781811141.db2.gz GKEUMOHPIRRXNH-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001187982143 781811151 /nfs/dbraw/zinc/81/11/51/781811151.db2.gz GKEUMOHPIRRXNH-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001151739018 781830762 /nfs/dbraw/zinc/83/07/62/781830762.db2.gz KKPRRNRTJCABMY-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001151739018 781830770 /nfs/dbraw/zinc/83/07/70/781830770.db2.gz KKPRRNRTJCABMY-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CN1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001189515623 781845390 /nfs/dbraw/zinc/84/53/90/781845390.db2.gz AFTSYZVITRFROE-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515623 781845401 /nfs/dbraw/zinc/84/54/01/781845401.db2.gz AFTSYZVITRFROE-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515623 781845408 /nfs/dbraw/zinc/84/54/08/781845408.db2.gz AFTSYZVITRFROE-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515623 781845417 /nfs/dbraw/zinc/84/54/17/781845417.db2.gz AFTSYZVITRFROE-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126241 781906941 /nfs/dbraw/zinc/90/69/41/781906941.db2.gz KZOHDHCTAKXJLI-JYAVWHMHSA-N 2 1 312.414 -1.301 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376917750 921746875 /nfs/dbraw/zinc/74/68/75/921746875.db2.gz DOKOSAWHRKLWMM-MNOVXSKESA-N 2 1 311.386 -1.416 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001376942146 921752685 /nfs/dbraw/zinc/75/26/85/921752685.db2.gz KLXFQPLBCHOJRL-LLVKDONJSA-N 2 1 322.369 -1.175 20 0 DAADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001377179927 921780191 /nfs/dbraw/zinc/78/01/91/921780191.db2.gz GFWFSPLTBNVURK-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001377179927 921780200 /nfs/dbraw/zinc/78/02/00/921780200.db2.gz GFWFSPLTBNVURK-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001377266609 921796639 /nfs/dbraw/zinc/79/66/39/921796639.db2.gz OKVYBZLIVYRUEU-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001377340339 921805907 /nfs/dbraw/zinc/80/59/07/921805907.db2.gz NUMKYBNJJIUKMN-CHWSQXEVSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001377340339 921805918 /nfs/dbraw/zinc/80/59/18/921805918.db2.gz NUMKYBNJJIUKMN-CHWSQXEVSA-N 2 1 315.414 -1.359 20 0 DAADMP OCC[NH+](CCO)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251032774 916172892 /nfs/dbraw/zinc/17/28/92/916172892.db2.gz FMLCQSSZKKRWRX-AWEZNQCLSA-N 2 1 305.419 -2.054 20 0 DAADMP CC[C@H](C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317466737 916303483 /nfs/dbraw/zinc/30/34/83/916303483.db2.gz DNDJMJMHNWYTTJ-LLVKDONJSA-N 2 1 313.402 -1.074 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320922887 916538263 /nfs/dbraw/zinc/53/82/63/916538263.db2.gz YDZKKQLHTMAHKC-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320922887 916538275 /nfs/dbraw/zinc/53/82/75/916538275.db2.gz YDZKKQLHTMAHKC-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010966 916539792 /nfs/dbraw/zinc/53/97/92/916539792.db2.gz MWWIACRIPUHPIP-IBUXWKBASA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010966 916539813 /nfs/dbraw/zinc/53/98/13/916539813.db2.gz MWWIACRIPUHPIP-IBUXWKBASA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010969 916542197 /nfs/dbraw/zinc/54/21/97/916542197.db2.gz MWWIACRIPUHPIP-ZRMMWKCHSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010969 916542209 /nfs/dbraw/zinc/54/22/09/916542209.db2.gz MWWIACRIPUHPIP-ZRMMWKCHSA-N 2 1 310.398 -1.142 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)C1 ZINC001321249146 916559046 /nfs/dbraw/zinc/55/90/46/916559046.db2.gz IZCCMVPMTZSFAP-OTDNITJGSA-N 2 1 311.386 -1.215 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001323293879 916709849 /nfs/dbraw/zinc/70/98/49/916709849.db2.gz QAHLSCRHVKSPKZ-NSHDSACASA-N 2 1 311.386 -1.320 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001323293879 916709871 /nfs/dbraw/zinc/70/98/71/916709871.db2.gz QAHLSCRHVKSPKZ-NSHDSACASA-N 2 1 311.386 -1.320 20 0 DAADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326844128 916960217 /nfs/dbraw/zinc/96/02/17/916960217.db2.gz FLPMLWOSJWHGRI-FRRDWIJNSA-N 2 1 310.398 -1.478 20 0 DAADMP OC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067536 916988936 /nfs/dbraw/zinc/98/89/36/916988936.db2.gz PUKXVDNIKDXBQD-AJNGGQMLSA-N 2 1 302.415 -1.273 20 0 DAADMP [NH3+]CCOCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328580849 917096168 /nfs/dbraw/zinc/09/61/68/917096168.db2.gz BNLHZCVHGWNOIX-CYBMUJFWSA-N 2 1 300.403 -1.516 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114847 917142966 /nfs/dbraw/zinc/14/29/66/917142966.db2.gz JVMMZIYUYQPWOB-GRYCIOLGSA-N 2 1 312.370 -2.632 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001329163365 917147685 /nfs/dbraw/zinc/14/76/85/917147685.db2.gz SAAUQKQIJGYQCU-ZDUSSCGKSA-N 2 1 313.446 -1.112 20 0 DAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001329479730 917173514 /nfs/dbraw/zinc/17/35/14/917173514.db2.gz CDLGXDAFCYEEGK-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329951258 917214223 /nfs/dbraw/zinc/21/42/23/917214223.db2.gz QVYSLGUBGYPMIH-QJPTWQEYSA-N 2 1 312.370 -2.632 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329951260 917214334 /nfs/dbraw/zinc/21/43/34/917214334.db2.gz QVYSLGUBGYPMIH-TUAOUCFPSA-N 2 1 312.370 -2.632 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001330527309 917253117 /nfs/dbraw/zinc/25/31/17/917253117.db2.gz YHCFMKRYIWBKAG-CYBMUJFWSA-N 2 1 313.446 -1.146 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001330869123 917269614 /nfs/dbraw/zinc/26/96/14/917269614.db2.gz AXLVBBRVSWOQRU-NSHDSACASA-N 2 1 300.403 -1.245 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001331168204 917282488 /nfs/dbraw/zinc/28/24/88/917282488.db2.gz QIGJNHHILZPIJQ-XQHKEYJVSA-N 2 1 310.398 -1.181 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331573124 917299447 /nfs/dbraw/zinc/29/94/47/917299447.db2.gz NVUBGUZLKGGYFI-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001331742428 917327454 /nfs/dbraw/zinc/32/74/54/917327454.db2.gz BGAWOXFREGIWEA-UPJWGTAASA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001331772611 917333413 /nfs/dbraw/zinc/33/34/13/917333413.db2.gz PTQOVDXONOHAAJ-VXGBXAGGSA-N 2 1 321.443 -1.418 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001331853128 917345831 /nfs/dbraw/zinc/34/58/31/917345831.db2.gz PROREQDKVUVFEY-UHFFFAOYSA-N 2 1 313.446 -1.111 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001332250692 917361637 /nfs/dbraw/zinc/36/16/37/917361637.db2.gz NOVNHFWFUNQRGD-HZSPNIEDSA-N 2 1 323.441 -1.299 20 0 DAADMP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001332603162 917390088 /nfs/dbraw/zinc/39/00/88/917390088.db2.gz VFUWMBHNOCWXCM-NWDGAFQWSA-N 2 1 321.443 -1.608 20 0 DAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC001333376964 917438158 /nfs/dbraw/zinc/43/81/58/917438158.db2.gz FFIOKPLCALTTGC-CHWSQXEVSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001333532673 917447066 /nfs/dbraw/zinc/44/70/66/917447066.db2.gz SMTJSWBPGUBKSC-AVERBVTBSA-N 2 1 309.414 -1.783 20 0 DAADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC001333541885 917447228 /nfs/dbraw/zinc/44/72/28/917447228.db2.gz DXCGFYJGQSMRCG-CYBMUJFWSA-N 2 1 313.446 -1.207 20 0 DAADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001334763047 917506682 /nfs/dbraw/zinc/50/66/82/917506682.db2.gz IXHGDCQJONPVLA-HTVCTNPSSA-N 2 1 322.409 -1.398 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337377937 917619181 /nfs/dbraw/zinc/61/91/81/917619181.db2.gz SHYYPXARHCQOHX-XQQFMLRXSA-N 2 1 309.414 -1.689 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340044659 917728119 /nfs/dbraw/zinc/72/81/19/917728119.db2.gz MWIHGVFUNOFWTB-LBPRGKRZSA-N 2 1 312.414 -1.109 20 0 DAADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001342564045 917784575 /nfs/dbraw/zinc/78/45/75/917784575.db2.gz DOFSDKAMDXGJQY-KBPBESRZSA-N 3 1 323.441 -1.249 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131932 917928992 /nfs/dbraw/zinc/92/89/92/917928992.db2.gz MHLCWNSYOYMKIG-KGLIPLIRSA-N 2 1 314.430 -1.568 20 0 DAADMP O[C@@H]1C[C@H]2CN(CCN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC001349772077 918035248 /nfs/dbraw/zinc/03/52/48/918035248.db2.gz YMPCOFFHYCYQNG-CAOSSQGBSA-N 2 1 310.442 -1.512 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001352080810 918114473 /nfs/dbraw/zinc/11/44/73/918114473.db2.gz PSEHCGHHGDZINT-ZFWWWQNUSA-N 2 1 307.442 -1.167 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001352080808 918114536 /nfs/dbraw/zinc/11/45/36/918114536.db2.gz PSEHCGHHGDZINT-HIFRSBDPSA-N 2 1 307.442 -1.167 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001352080809 918115785 /nfs/dbraw/zinc/11/57/85/918115785.db2.gz PSEHCGHHGDZINT-UKRRQHHQSA-N 2 1 307.442 -1.167 20 0 DAADMP Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1=O ZINC001353354647 918151792 /nfs/dbraw/zinc/15/17/92/918151792.db2.gz QMAXCJVMOLORAY-ZDUSSCGKSA-N 2 1 310.398 -1.018 20 0 DAADMP Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1=O ZINC001353354647 918151803 /nfs/dbraw/zinc/15/18/03/918151803.db2.gz QMAXCJVMOLORAY-ZDUSSCGKSA-N 2 1 310.398 -1.018 20 0 DAADMP COC(=O)C1CCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001354184236 918168732 /nfs/dbraw/zinc/16/87/32/918168732.db2.gz HMYYOMLHJGKWBP-UHFFFAOYSA-N 2 1 312.414 -1.107 20 0 DAADMP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[C@H]1O ZINC001363604461 918841029 /nfs/dbraw/zinc/84/10/29/918841029.db2.gz UAPKOTUUUITSAY-YRGRVCCFSA-N 2 1 301.387 -1.701 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[C@H]1O ZINC001363604461 918841050 /nfs/dbraw/zinc/84/10/50/918841050.db2.gz UAPKOTUUUITSAY-YRGRVCCFSA-N 2 1 301.387 -1.701 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001364470335 919018757 /nfs/dbraw/zinc/01/87/57/919018757.db2.gz VFYLNWWXPMJWRV-QWRGUYRKSA-N 2 1 311.386 -2.331 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366035341 919272805 /nfs/dbraw/zinc/27/28/05/919272805.db2.gz SINGYDGNSKVFOW-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366035341 919272821 /nfs/dbraw/zinc/27/28/21/919272821.db2.gz SINGYDGNSKVFOW-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366035337 919273767 /nfs/dbraw/zinc/27/37/67/919273767.db2.gz SINGYDGNSKVFOW-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366035337 919273778 /nfs/dbraw/zinc/27/37/78/919273778.db2.gz SINGYDGNSKVFOW-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366170392 919289711 /nfs/dbraw/zinc/28/97/11/919289711.db2.gz SMAYWXBYCVQYKD-CRWXNKLISA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366170392 919289731 /nfs/dbraw/zinc/28/97/31/919289731.db2.gz SMAYWXBYCVQYKD-CRWXNKLISA-N 2 1 315.414 -1.049 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001366560335 919347444 /nfs/dbraw/zinc/34/74/44/919347444.db2.gz XLKRDAXRYZWXRM-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001366560335 919347460 /nfs/dbraw/zinc/34/74/60/919347460.db2.gz XLKRDAXRYZWXRM-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001366560338 919348771 /nfs/dbraw/zinc/34/87/71/919348771.db2.gz XLKRDAXRYZWXRM-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001366560338 919348786 /nfs/dbraw/zinc/34/87/86/919348786.db2.gz XLKRDAXRYZWXRM-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC(N)=O ZINC001366638550 919357094 /nfs/dbraw/zinc/35/70/94/919357094.db2.gz MVRXSWDTCKBIQD-UHFFFAOYSA-N 2 1 311.386 -1.285 20 0 DAADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC(N)=O ZINC001366638550 919357109 /nfs/dbraw/zinc/35/71/09/919357109.db2.gz MVRXSWDTCKBIQD-UHFFFAOYSA-N 2 1 311.386 -1.285 20 0 DAADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366697307 919368198 /nfs/dbraw/zinc/36/81/98/919368198.db2.gz BBDRTYXTCRCHNO-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(=O)NC ZINC001367140969 919438111 /nfs/dbraw/zinc/43/81/11/919438111.db2.gz OAXMSAUCYTXNAQ-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367371678 919460915 /nfs/dbraw/zinc/46/09/15/919460915.db2.gz CXSVAGVYCIUSKM-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367392783 919461828 /nfs/dbraw/zinc/46/18/28/919461828.db2.gz DMBPVHSGFLCWNI-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367401154 919465464 /nfs/dbraw/zinc/46/54/64/919465464.db2.gz DHXLJYROKRLCPF-VIFPVBQESA-N 2 1 310.358 -1.177 20 0 DAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367586824 919499625 /nfs/dbraw/zinc/49/96/25/919499625.db2.gz PLHCSSKRSJAIKK-OLZOCXBDSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367586824 919499635 /nfs/dbraw/zinc/49/96/35/919499635.db2.gz PLHCSSKRSJAIKK-OLZOCXBDSA-N 2 1 311.386 -1.683 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001367592430 919506730 /nfs/dbraw/zinc/50/67/30/919506730.db2.gz VMHWSMZALKZHMT-STQMWFEESA-N 2 1 312.418 -1.032 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594839 919510626 /nfs/dbraw/zinc/51/06/26/919510626.db2.gz SMKUZAQNIQYHKJ-QWHCGFSZSA-N 2 1 312.414 -1.184 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367598244 919513001 /nfs/dbraw/zinc/51/30/01/919513001.db2.gz IUGQUKILSZBSNW-VXGBXAGGSA-N 2 1 309.370 -1.511 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001367621654 919534234 /nfs/dbraw/zinc/53/42/34/919534234.db2.gz LVXUSELJVXQOCZ-GFCCVEGCSA-N 2 1 308.386 -1.522 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622826 919534733 /nfs/dbraw/zinc/53/47/33/919534733.db2.gz HYYFSBAYTSWHLR-ZYHUDNBSSA-N 2 1 323.401 -1.474 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622826 919534742 /nfs/dbraw/zinc/53/47/42/919534742.db2.gz HYYFSBAYTSWHLR-ZYHUDNBSSA-N 2 1 323.401 -1.474 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001367619523 919536320 /nfs/dbraw/zinc/53/63/20/919536320.db2.gz OJFVHVMMCNVSSA-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001367619521 919536924 /nfs/dbraw/zinc/53/69/24/919536924.db2.gz OJFVHVMMCNVSSA-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367624427 919536990 /nfs/dbraw/zinc/53/69/90/919536990.db2.gz QARBWOVCAKGGPC-JTQLQIEISA-N 2 1 309.374 -2.127 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622807 919537411 /nfs/dbraw/zinc/53/74/11/919537411.db2.gz HYYFSBAYTSWHLR-JQWIXIFHSA-N 2 1 323.401 -1.474 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622807 919537430 /nfs/dbraw/zinc/53/74/30/919537430.db2.gz HYYFSBAYTSWHLR-JQWIXIFHSA-N 2 1 323.401 -1.474 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367626948 919541060 /nfs/dbraw/zinc/54/10/60/919541060.db2.gz XRBCFEHEACKUFF-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367666392 919552617 /nfs/dbraw/zinc/55/26/17/919552617.db2.gz QZUPNLQTRSBIMI-UONOGXRCSA-N 2 1 315.414 -1.188 20 0 DAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)NC(N)=O ZINC001367994266 919598487 /nfs/dbraw/zinc/59/84/87/919598487.db2.gz YXHJKYZZBCUZJJ-ZJUUUORDSA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368264295 919643428 /nfs/dbraw/zinc/64/34/28/919643428.db2.gz BIOKQHAEKOZZJZ-UKRRQHHQSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368264295 919643438 /nfs/dbraw/zinc/64/34/38/919643438.db2.gz BIOKQHAEKOZZJZ-UKRRQHHQSA-N 2 1 314.430 -1.128 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001368273071 919655887 /nfs/dbraw/zinc/65/58/87/919655887.db2.gz BWBRCCWLEIGTCV-HNNXBMFYSA-N 2 1 312.414 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001368273071 919655899 /nfs/dbraw/zinc/65/58/99/919655899.db2.gz BWBRCCWLEIGTCV-HNNXBMFYSA-N 2 1 312.414 -1.099 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001368410914 919719212 /nfs/dbraw/zinc/71/92/12/919719212.db2.gz ONKUTQIMKAXUKT-NWDGAFQWSA-N 2 1 300.403 -1.388 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508480 919731122 /nfs/dbraw/zinc/73/11/22/919731122.db2.gz GODYNVMNVKKONN-NWDGAFQWSA-N 2 1 314.386 -1.991 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508480 919731137 /nfs/dbraw/zinc/73/11/37/919731137.db2.gz GODYNVMNVKKONN-NWDGAFQWSA-N 2 1 314.386 -1.991 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001368510351 919736656 /nfs/dbraw/zinc/73/66/56/919736656.db2.gz ULNIEPTWEVWYHN-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001368510360 919736910 /nfs/dbraw/zinc/73/69/10/919736910.db2.gz ULNIEPTWEVWYHN-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001368631919 919750723 /nfs/dbraw/zinc/75/07/23/919750723.db2.gz SZVMTEXQYZCURY-CQSZACIVSA-N 2 1 300.403 -1.245 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368822225 919777608 /nfs/dbraw/zinc/77/76/08/919777608.db2.gz CZSXAZQUJVRDDX-UHFFFAOYSA-N 2 1 322.369 -1.129 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368931207 919787158 /nfs/dbraw/zinc/78/71/58/919787158.db2.gz KQRYMHNTFHLXQJ-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368931207 919787168 /nfs/dbraw/zinc/78/71/68/919787168.db2.gz KQRYMHNTFHLXQJ-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368931207 919787175 /nfs/dbraw/zinc/78/71/75/919787175.db2.gz KQRYMHNTFHLXQJ-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368931207 919787185 /nfs/dbraw/zinc/78/71/85/919787185.db2.gz KQRYMHNTFHLXQJ-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@H+](C)CC(N)=O ZINC001368944801 919789523 /nfs/dbraw/zinc/78/95/23/919789523.db2.gz ZRZKRBLSBKRLKQ-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@@H+](C)CC(N)=O ZINC001368944801 919789533 /nfs/dbraw/zinc/78/95/33/919789533.db2.gz ZRZKRBLSBKRLKQ-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001369171899 919827953 /nfs/dbraw/zinc/82/79/53/919827953.db2.gz WBPLEQHLICNAHE-JHJVBQTASA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001369171899 919827966 /nfs/dbraw/zinc/82/79/66/919827966.db2.gz WBPLEQHLICNAHE-JHJVBQTASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232055 919831623 /nfs/dbraw/zinc/83/16/23/919831623.db2.gz QBWNNWYGHWAEBJ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232055 919831632 /nfs/dbraw/zinc/83/16/32/919831632.db2.gz QBWNNWYGHWAEBJ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001369293916 919839504 /nfs/dbraw/zinc/83/95/04/919839504.db2.gz WBXONZCEYCUXMD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369342413 919878854 /nfs/dbraw/zinc/87/88/54/919878854.db2.gz TXLPOSGFJRRSME-QWHCGFSZSA-N 2 1 310.402 -1.171 20 0 DAADMP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001369350223 919892498 /nfs/dbraw/zinc/89/24/98/919892498.db2.gz TUCVLUWVYPENLU-ZJUUUORDSA-N 2 1 300.359 -1.203 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001369370903 919907178 /nfs/dbraw/zinc/90/71/78/919907178.db2.gz FYNAYIMRDVZXIW-GFCCVEGCSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001369381493 919912929 /nfs/dbraw/zinc/91/29/29/919912929.db2.gz NTNJONSFTFZIGA-NEPJUHHUSA-N 2 1 321.443 -1.561 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369378123 919913522 /nfs/dbraw/zinc/91/35/22/919913522.db2.gz BALOWUWXSIGMDH-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001369383329 919919235 /nfs/dbraw/zinc/91/92/35/919919235.db2.gz NKSKMIRQYIABHL-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369484346 919956187 /nfs/dbraw/zinc/95/61/87/919956187.db2.gz SWKNHDIQLUTAJY-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001369481305 919957111 /nfs/dbraw/zinc/95/71/11/919957111.db2.gz QBZGNUCFFKMVPO-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369489298 919962017 /nfs/dbraw/zinc/96/20/17/919962017.db2.gz ZNJRTWUZKPPOCD-NEPJUHHUSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369489298 919962024 /nfs/dbraw/zinc/96/20/24/919962024.db2.gz ZNJRTWUZKPPOCD-NEPJUHHUSA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369489336 919963133 /nfs/dbraw/zinc/96/31/33/919963133.db2.gz ZTCVARKVYNXQEZ-PWSUYJOCSA-N 2 1 311.386 -1.265 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001369499019 919967337 /nfs/dbraw/zinc/96/73/37/919967337.db2.gz QBMSWVRTEOCNOH-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001369499019 919967346 /nfs/dbraw/zinc/96/73/46/919967346.db2.gz QBMSWVRTEOCNOH-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369499019 919967359 /nfs/dbraw/zinc/96/73/59/919967359.db2.gz QBMSWVRTEOCNOH-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369499019 919967371 /nfs/dbraw/zinc/96/73/71/919967371.db2.gz QBMSWVRTEOCNOH-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369499020 919967597 /nfs/dbraw/zinc/96/75/97/919967597.db2.gz QBMSWVRTEOCNOH-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369499020 919967613 /nfs/dbraw/zinc/96/76/13/919967613.db2.gz QBMSWVRTEOCNOH-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369499020 919967627 /nfs/dbraw/zinc/96/76/27/919967627.db2.gz QBMSWVRTEOCNOH-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369499020 919967641 /nfs/dbraw/zinc/96/76/41/919967641.db2.gz QBMSWVRTEOCNOH-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369504423 919974317 /nfs/dbraw/zinc/97/43/17/919974317.db2.gz OFPJMIAIZGTCRH-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369504423 919974328 /nfs/dbraw/zinc/97/43/28/919974328.db2.gz OFPJMIAIZGTCRH-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369504423 919974338 /nfs/dbraw/zinc/97/43/38/919974338.db2.gz OFPJMIAIZGTCRH-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369504423 919974352 /nfs/dbraw/zinc/97/43/52/919974352.db2.gz OFPJMIAIZGTCRH-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515795 919981455 /nfs/dbraw/zinc/98/14/55/919981455.db2.gz SGXSBLUNISUZFS-RYUDHWBXSA-N 2 1 302.419 -1.176 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515795 919981467 /nfs/dbraw/zinc/98/14/67/919981467.db2.gz SGXSBLUNISUZFS-RYUDHWBXSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001370236268 920045893 /nfs/dbraw/zinc/04/58/93/920045893.db2.gz QIUHCSGGWBAHSK-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370617247 920074372 /nfs/dbraw/zinc/07/43/72/920074372.db2.gz QYNRJKOLJWWDKD-QNWHQSFQSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370617247 920074387 /nfs/dbraw/zinc/07/43/87/920074387.db2.gz QYNRJKOLJWWDKD-QNWHQSFQSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370617254 920075262 /nfs/dbraw/zinc/07/52/62/920075262.db2.gz QYNRJKOLJWWDKD-YVECIDJPSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370617254 920075277 /nfs/dbraw/zinc/07/52/77/920075277.db2.gz QYNRJKOLJWWDKD-YVECIDJPSA-N 2 1 301.387 -1.439 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001370702443 920130759 /nfs/dbraw/zinc/13/07/59/920130759.db2.gz INFBVFYJLKNYCN-MXWKQRLJSA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001370753054 920158112 /nfs/dbraw/zinc/15/81/12/920158112.db2.gz CIBSNPOLMSXBQT-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370751400 920158356 /nfs/dbraw/zinc/15/83/56/920158356.db2.gz IDSMDFSYFWIVJY-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371884678 920307925 /nfs/dbraw/zinc/30/79/25/920307925.db2.gz VYFMVKAIRRXTAV-VIFPVBQESA-N 2 1 310.358 -1.129 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372219934 920347623 /nfs/dbraw/zinc/34/76/23/920347623.db2.gz ALWWFJXOQAOUGJ-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372219934 920347638 /nfs/dbraw/zinc/34/76/38/920347638.db2.gz ALWWFJXOQAOUGJ-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001372942577 920439895 /nfs/dbraw/zinc/43/98/95/920439895.db2.gz FXIHHHZLXAZILA-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C[NH+]1CCCC1 ZINC001373387894 920484948 /nfs/dbraw/zinc/48/49/48/920484948.db2.gz FZHQELVSQGTGTE-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C[NH+]1CCCC1 ZINC001373387894 920484957 /nfs/dbraw/zinc/48/49/57/920484957.db2.gz FZHQELVSQGTGTE-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000320 920573357 /nfs/dbraw/zinc/57/33/57/920573357.db2.gz DAPOGFDWBMZEBU-ZJUUUORDSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000320 920573370 /nfs/dbraw/zinc/57/33/70/920573370.db2.gz DAPOGFDWBMZEBU-ZJUUUORDSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000319 920573784 /nfs/dbraw/zinc/57/37/84/920573784.db2.gz DAPOGFDWBMZEBU-VHSXEESVSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000319 920573797 /nfs/dbraw/zinc/57/37/97/920573797.db2.gz DAPOGFDWBMZEBU-VHSXEESVSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556235 920615771 /nfs/dbraw/zinc/61/57/71/920615771.db2.gz REYBGYSJPOPWGV-MNOVXSKESA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556235 920615778 /nfs/dbraw/zinc/61/57/78/920615778.db2.gz REYBGYSJPOPWGV-MNOVXSKESA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556235 920615786 /nfs/dbraw/zinc/61/57/86/920615786.db2.gz REYBGYSJPOPWGV-MNOVXSKESA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556235 920615794 /nfs/dbraw/zinc/61/57/94/920615794.db2.gz REYBGYSJPOPWGV-MNOVXSKESA-N 2 1 313.402 -1.088 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374588718 920628497 /nfs/dbraw/zinc/62/84/97/920628497.db2.gz FYAVKMCNZRZOOI-UWVGGRQHSA-N 2 1 315.374 -2.397 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374618320 920652266 /nfs/dbraw/zinc/65/22/66/920652266.db2.gz YAJNRODHXHRKPW-AAEUAGOBSA-N 2 1 312.418 -1.032 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374627596 920656818 /nfs/dbraw/zinc/65/68/18/920656818.db2.gz DQICHAXMJGYWLO-NWDGAFQWSA-N 2 1 309.370 -1.463 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374627598 920658079 /nfs/dbraw/zinc/65/80/79/920658079.db2.gz DQICHAXMJGYWLO-RYUDHWBXSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001374684829 920694322 /nfs/dbraw/zinc/69/43/22/920694322.db2.gz NUCFTWNFPATYAV-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374853952 920719815 /nfs/dbraw/zinc/71/98/15/920719815.db2.gz POECMPFBCFDSEM-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374853952 920719833 /nfs/dbraw/zinc/71/98/33/920719833.db2.gz POECMPFBCFDSEM-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374853954 920720451 /nfs/dbraw/zinc/72/04/51/920720451.db2.gz POECMPFBCFDSEM-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374853954 920720467 /nfs/dbraw/zinc/72/04/67/920720467.db2.gz POECMPFBCFDSEM-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375151892 920749024 /nfs/dbraw/zinc/74/90/24/920749024.db2.gz ATMGTQSRBUPYHX-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375151892 920749029 /nfs/dbraw/zinc/74/90/29/920749029.db2.gz ATMGTQSRBUPYHX-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375151892 920749041 /nfs/dbraw/zinc/74/90/41/920749041.db2.gz ATMGTQSRBUPYHX-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375151892 920749047 /nfs/dbraw/zinc/74/90/47/920749047.db2.gz ATMGTQSRBUPYHX-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375151895 920749116 /nfs/dbraw/zinc/74/91/16/920749116.db2.gz ATMGTQSRBUPYHX-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375151895 920749125 /nfs/dbraw/zinc/74/91/25/920749125.db2.gz ATMGTQSRBUPYHX-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375151895 920749134 /nfs/dbraw/zinc/74/91/34/920749134.db2.gz ATMGTQSRBUPYHX-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375151895 920749141 /nfs/dbraw/zinc/74/91/41/920749141.db2.gz ATMGTQSRBUPYHX-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375490525 920779973 /nfs/dbraw/zinc/77/99/73/920779973.db2.gz KWHFUFGQNOXWIB-JTQLQIEISA-N 2 1 311.386 -1.239 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001375751130 920804954 /nfs/dbraw/zinc/80/49/54/920804954.db2.gz RWCMFHLRAWAOGE-GHMZBOCLSA-N 2 1 311.386 -1.144 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042112 920831923 /nfs/dbraw/zinc/83/19/23/920831923.db2.gz KNENIFVFRIWMJH-ABAIWWIYSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042112 920831937 /nfs/dbraw/zinc/83/19/37/920831937.db2.gz KNENIFVFRIWMJH-ABAIWWIYSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376042112 920831953 /nfs/dbraw/zinc/83/19/53/920831953.db2.gz KNENIFVFRIWMJH-ABAIWWIYSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042112 920831974 /nfs/dbraw/zinc/83/19/74/920831974.db2.gz KNENIFVFRIWMJH-ABAIWWIYSA-N 2 1 312.414 -1.103 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376050002 920837409 /nfs/dbraw/zinc/83/74/09/920837409.db2.gz TVJJSCXBCCOSJG-HNNXBMFYSA-N 2 1 324.425 -1.086 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376050002 920837417 /nfs/dbraw/zinc/83/74/17/920837417.db2.gz TVJJSCXBCCOSJG-HNNXBMFYSA-N 2 1 324.425 -1.086 20 0 DAADMP C[NH+]1CCC(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001376081513 920848948 /nfs/dbraw/zinc/84/89/48/920848948.db2.gz LPVZJMRRZKZBME-OAHLLOKOSA-N 2 1 312.414 -1.243 20 0 DAADMP C[NH+]1CCC(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001376081513 920848962 /nfs/dbraw/zinc/84/89/62/920848962.db2.gz LPVZJMRRZKZBME-OAHLLOKOSA-N 2 1 312.414 -1.243 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376096219 920854434 /nfs/dbraw/zinc/85/44/34/920854434.db2.gz SHPWUWZPKRSZDS-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376096219 920854443 /nfs/dbraw/zinc/85/44/43/920854443.db2.gz SHPWUWZPKRSZDS-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376096219 920854454 /nfs/dbraw/zinc/85/44/54/920854454.db2.gz SHPWUWZPKRSZDS-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376096219 920854471 /nfs/dbraw/zinc/85/44/71/920854471.db2.gz SHPWUWZPKRSZDS-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102238 920857786 /nfs/dbraw/zinc/85/77/86/920857786.db2.gz YLEHJBPYIDQEAR-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102238 920857804 /nfs/dbraw/zinc/85/78/04/920857804.db2.gz YLEHJBPYIDQEAR-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376102238 920857818 /nfs/dbraw/zinc/85/78/18/920857818.db2.gz YLEHJBPYIDQEAR-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102238 920857830 /nfs/dbraw/zinc/85/78/30/920857830.db2.gz YLEHJBPYIDQEAR-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001376102217 920859370 /nfs/dbraw/zinc/85/93/70/920859370.db2.gz XWWWYLOGDWBFSX-OAHLLOKOSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001376102217 920859386 /nfs/dbraw/zinc/85/93/86/920859386.db2.gz XWWWYLOGDWBFSX-OAHLLOKOSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376102217 920859399 /nfs/dbraw/zinc/85/93/99/920859399.db2.gz XWWWYLOGDWBFSX-OAHLLOKOSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376102217 920859409 /nfs/dbraw/zinc/85/94/09/920859409.db2.gz XWWWYLOGDWBFSX-OAHLLOKOSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376378325 920930310 /nfs/dbraw/zinc/93/03/10/920930310.db2.gz QIHSHDILCUBCTN-XYPYZODXSA-N 2 1 322.369 -1.116 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376476886 920948006 /nfs/dbraw/zinc/94/80/06/920948006.db2.gz DCESHDWZTVSEGC-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CN(C)C(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376476886 920948019 /nfs/dbraw/zinc/94/80/19/920948019.db2.gz DCESHDWZTVSEGC-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505638 920959784 /nfs/dbraw/zinc/95/97/84/920959784.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@]2(CO)CCCN(CCO)C2)C1 ZINC001376505638 920959790 /nfs/dbraw/zinc/95/97/90/920959790.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001376629041 920997050 /nfs/dbraw/zinc/99/70/50/920997050.db2.gz OEXYWALTOWOHGX-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376625172 920997206 /nfs/dbraw/zinc/99/72/06/920997206.db2.gz IGOFEOAVHRDTFN-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376625172 920997213 /nfs/dbraw/zinc/99/72/13/920997213.db2.gz IGOFEOAVHRDTFN-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001376768855 921026612 /nfs/dbraw/zinc/02/66/12/921026612.db2.gz CEMIDCSTHYTHBJ-SNVBAGLBSA-N 2 1 311.386 -1.096 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377451278 921820994 /nfs/dbraw/zinc/82/09/94/921820994.db2.gz IGTHRMPQPFOXMW-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377451275 921822193 /nfs/dbraw/zinc/82/21/93/921822193.db2.gz IGTHRMPQPFOXMW-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001377603968 921845639 /nfs/dbraw/zinc/84/56/39/921845639.db2.gz SVSMXWMKRUNNJU-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001378090148 921913933 /nfs/dbraw/zinc/91/39/33/921913933.db2.gz TZPJRGXGNVELLE-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001378090148 921913943 /nfs/dbraw/zinc/91/39/43/921913943.db2.gz TZPJRGXGNVELLE-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)C2)C1 ZINC001378090148 921913953 /nfs/dbraw/zinc/91/39/53/921913953.db2.gz TZPJRGXGNVELLE-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001378090148 921913967 /nfs/dbraw/zinc/91/39/67/921913967.db2.gz TZPJRGXGNVELLE-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378543536 921974375 /nfs/dbraw/zinc/97/43/75/921974375.db2.gz XHSYHTNWQMBNPO-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378543536 921974385 /nfs/dbraw/zinc/97/43/85/921974385.db2.gz XHSYHTNWQMBNPO-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001378725058 922000654 /nfs/dbraw/zinc/00/06/54/922000654.db2.gz FEBQQYRXKDYCME-ZSOGYDGISA-N 2 1 324.425 -1.251 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001378725058 922000664 /nfs/dbraw/zinc/00/06/64/922000664.db2.gz FEBQQYRXKDYCME-ZSOGYDGISA-N 2 1 324.425 -1.251 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001378753581 922003531 /nfs/dbraw/zinc/00/35/31/922003531.db2.gz DQOYDZJBWXCCHN-NEPJUHHUSA-N 2 1 309.370 -1.118 20 0 DAADMP CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379135412 922037586 /nfs/dbraw/zinc/03/75/86/922037586.db2.gz YVTQPUADSWFIGO-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379135412 922037605 /nfs/dbraw/zinc/03/76/05/922037605.db2.gz YVTQPUADSWFIGO-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379135412 922037621 /nfs/dbraw/zinc/03/76/21/922037621.db2.gz YVTQPUADSWFIGO-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379135412 922037632 /nfs/dbraw/zinc/03/76/32/922037632.db2.gz YVTQPUADSWFIGO-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379135422 922039066 /nfs/dbraw/zinc/03/90/66/922039066.db2.gz YVTQPUADSWFIGO-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379135422 922039080 /nfs/dbraw/zinc/03/90/80/922039080.db2.gz YVTQPUADSWFIGO-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379135422 922039095 /nfs/dbraw/zinc/03/90/95/922039095.db2.gz YVTQPUADSWFIGO-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379135422 922039114 /nfs/dbraw/zinc/03/91/14/922039114.db2.gz YVTQPUADSWFIGO-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379203804 922067745 /nfs/dbraw/zinc/06/77/45/922067745.db2.gz HIGBDZMCEOPVHY-JTQLQIEISA-N 2 1 311.390 -1.739 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)C1 ZINC001379244995 922091909 /nfs/dbraw/zinc/09/19/09/922091909.db2.gz QJGHKQMLYZXTRH-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)C1 ZINC001379245038 922095172 /nfs/dbraw/zinc/09/51/72/922095172.db2.gz QJGHKQMLYZXTRH-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001379257689 922102268 /nfs/dbraw/zinc/10/22/68/922102268.db2.gz KNBXBNZWSCOHCQ-LBPRGKRZSA-N 2 1 308.386 -1.522 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001379299969 922120316 /nfs/dbraw/zinc/12/03/16/922120316.db2.gz YRMXTYNPMYRGJE-JTQLQIEISA-N 2 1 317.390 -2.151 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001379395444 922150253 /nfs/dbraw/zinc/15/02/53/922150253.db2.gz IUPSXTRLURHIIC-OPRDCNLKSA-N 2 1 315.374 -2.412 20 0 DAADMP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410959 922162030 /nfs/dbraw/zinc/16/20/30/922162030.db2.gz MDOHYFKYXAQDNJ-DGCLKSJQSA-N 2 1 312.414 -1.232 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379452818 922180315 /nfs/dbraw/zinc/18/03/15/922180315.db2.gz WDUWJYSAIIHPRZ-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379452819 922180740 /nfs/dbraw/zinc/18/07/40/922180740.db2.gz WDUWJYSAIIHPRZ-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP CCn1cc(CN[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001379465062 922185244 /nfs/dbraw/zinc/18/52/44/922185244.db2.gz NAVLHIIJKPVXHB-CHWSQXEVSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(CN[C@@H](CO)CNC(=O)[C@H]2CCCN2C)nn1 ZINC001379465062 922185255 /nfs/dbraw/zinc/18/52/55/922185255.db2.gz NAVLHIIJKPVXHB-CHWSQXEVSA-N 2 1 310.402 -1.041 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001379468293 922189458 /nfs/dbraw/zinc/18/94/58/922189458.db2.gz VPHXUIMGZKQWJN-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001379468293 922189463 /nfs/dbraw/zinc/18/94/63/922189463.db2.gz VPHXUIMGZKQWJN-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379473865 922193316 /nfs/dbraw/zinc/19/33/16/922193316.db2.gz COYHCVCNWJUPRL-QWHCGFSZSA-N 2 1 310.402 -1.313 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001379495929 922200314 /nfs/dbraw/zinc/20/03/14/922200314.db2.gz IFILFSMSDKBBNJ-LBPRGKRZSA-N 2 1 300.403 -1.469 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001379504037 922208063 /nfs/dbraw/zinc/20/80/63/922208063.db2.gz RVONOXKMXYMFAS-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379526711 922217460 /nfs/dbraw/zinc/21/74/60/922217460.db2.gz KNWKIPWQZZJSCW-NWDGAFQWSA-N 2 1 300.403 -1.471 20 0 DAADMP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379527537 922219110 /nfs/dbraw/zinc/21/91/10/922219110.db2.gz NPFUBRYUXHYKBF-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001379593388 922230908 /nfs/dbraw/zinc/23/09/08/922230908.db2.gz NBOKJIQZLVPSRH-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001379593388 922230920 /nfs/dbraw/zinc/23/09/20/922230920.db2.gz NBOKJIQZLVPSRH-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379676132 922237527 /nfs/dbraw/zinc/23/75/27/922237527.db2.gz ZPGMYAWZEZRXHF-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379676132 922237542 /nfs/dbraw/zinc/23/75/42/922237542.db2.gz ZPGMYAWZEZRXHF-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379745780 922249368 /nfs/dbraw/zinc/24/93/68/922249368.db2.gz UDGOJKHPKZPZEY-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379745780 922249381 /nfs/dbraw/zinc/24/93/81/922249381.db2.gz UDGOJKHPKZPZEY-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379836477 922276066 /nfs/dbraw/zinc/27/60/66/922276066.db2.gz SPKDTCDZCRAOBK-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001379839714 922276438 /nfs/dbraw/zinc/27/64/38/922276438.db2.gz HSDKCWXDDFPNNJ-VXGBXAGGSA-N 2 1 316.402 -2.009 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379836473 922277582 /nfs/dbraw/zinc/27/75/82/922277582.db2.gz SPKDTCDZCRAOBK-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001379943426 922300009 /nfs/dbraw/zinc/30/00/09/922300009.db2.gz YDUGYFJYHLLWGW-WDEREUQCSA-N 2 1 311.386 -1.383 20 0 DAADMP COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379969262 922304897 /nfs/dbraw/zinc/30/48/97/922304897.db2.gz PLTIRWKKDKCALU-HZSPNIEDSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@@H](O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379969262 922304912 /nfs/dbraw/zinc/30/49/12/922304912.db2.gz PLTIRWKKDKCALU-HZSPNIEDSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@@H](O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379969262 922304930 /nfs/dbraw/zinc/30/49/30/922304930.db2.gz PLTIRWKKDKCALU-HZSPNIEDSA-N 2 1 317.430 -1.161 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H](C)C(N)=O ZINC001379972939 922309379 /nfs/dbraw/zinc/30/93/79/922309379.db2.gz PJCOOFDRVRNMPO-NWDGAFQWSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H](C)C(N)=O ZINC001379972939 922309393 /nfs/dbraw/zinc/30/93/93/922309393.db2.gz PJCOOFDRVRNMPO-NWDGAFQWSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379972939 922309401 /nfs/dbraw/zinc/30/94/01/922309401.db2.gz PJCOOFDRVRNMPO-NWDGAFQWSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379972939 922309416 /nfs/dbraw/zinc/30/94/16/922309416.db2.gz PJCOOFDRVRNMPO-NWDGAFQWSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001379970092 922310112 /nfs/dbraw/zinc/31/01/12/922310112.db2.gz KTFFJNCDIMLJEP-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001379970092 922310127 /nfs/dbraw/zinc/31/01/27/922310127.db2.gz KTFFJNCDIMLJEP-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379970092 922310145 /nfs/dbraw/zinc/31/01/45/922310145.db2.gz KTFFJNCDIMLJEP-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972987 922311078 /nfs/dbraw/zinc/31/10/78/922311078.db2.gz ZGPSAUFJMQHIFP-VXGBXAGGSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972987 922311089 /nfs/dbraw/zinc/31/10/89/922311089.db2.gz ZGPSAUFJMQHIFP-VXGBXAGGSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549067 922382038 /nfs/dbraw/zinc/38/20/38/922382038.db2.gz LQUWXTIZJBJZAR-XHDPSFHLSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549067 922382053 /nfs/dbraw/zinc/38/20/53/922382053.db2.gz LQUWXTIZJBJZAR-XHDPSFHLSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549061 922382493 /nfs/dbraw/zinc/38/24/93/922382493.db2.gz LQUWXTIZJBJZAR-IAQYHMDHSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549061 922382506 /nfs/dbraw/zinc/38/25/06/922382506.db2.gz LQUWXTIZJBJZAR-IAQYHMDHSA-N 2 1 312.414 -1.245 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001380560540 922392461 /nfs/dbraw/zinc/39/24/61/922392461.db2.gz WPPHKEWRFWLITP-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001380560540 922392478 /nfs/dbraw/zinc/39/24/78/922392478.db2.gz WPPHKEWRFWLITP-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001380560540 922392489 /nfs/dbraw/zinc/39/24/89/922392489.db2.gz WPPHKEWRFWLITP-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001380560540 922392504 /nfs/dbraw/zinc/39/25/04/922392504.db2.gz WPPHKEWRFWLITP-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001380560536 922394701 /nfs/dbraw/zinc/39/47/01/922394701.db2.gz WPPHKEWRFWLITP-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001380560536 922394715 /nfs/dbraw/zinc/39/47/15/922394715.db2.gz WPPHKEWRFWLITP-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001380560536 922394732 /nfs/dbraw/zinc/39/47/32/922394732.db2.gz WPPHKEWRFWLITP-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001380560536 922394745 /nfs/dbraw/zinc/39/47/45/922394745.db2.gz WPPHKEWRFWLITP-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380572395 922395904 /nfs/dbraw/zinc/39/59/04/922395904.db2.gz MCRICZFEXNESDE-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001380767866 922454130 /nfs/dbraw/zinc/45/41/30/922454130.db2.gz RCRXRHRVSNMZGF-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001380767873 922455326 /nfs/dbraw/zinc/45/53/26/922455326.db2.gz RCRXRHRVSNMZGF-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001380774432 922458935 /nfs/dbraw/zinc/45/89/35/922458935.db2.gz PKQOCYARZOYMTH-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001381170384 922507972 /nfs/dbraw/zinc/50/79/72/922507972.db2.gz SCOHPYUDNIVDBN-UHFFFAOYSA-N 2 1 300.403 -1.245 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001381932929 922569593 /nfs/dbraw/zinc/56/95/93/922569593.db2.gz CEHVLRHUJCXFAA-PWSUYJOCSA-N 2 1 309.370 -1.118 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001381955569 922572167 /nfs/dbraw/zinc/57/21/67/922572167.db2.gz YLXJYYCAKLPVSA-XDQVBPFNSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001381955569 922572179 /nfs/dbraw/zinc/57/21/79/922572179.db2.gz YLXJYYCAKLPVSA-XDQVBPFNSA-N 2 1 315.414 -1.191 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066737 922580095 /nfs/dbraw/zinc/58/00/95/922580095.db2.gz XRXCMDRKXJOOIK-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066737 922580122 /nfs/dbraw/zinc/58/01/22/922580122.db2.gz XRXCMDRKXJOOIK-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001382209958 922619712 /nfs/dbraw/zinc/61/97/12/922619712.db2.gz MUZQIECEOPPCOP-GRYCIOLGSA-N 2 1 300.403 -1.471 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216237 922624418 /nfs/dbraw/zinc/62/44/18/922624418.db2.gz RMTSXGSRSUKQJA-QWRGUYRKSA-N 2 1 300.403 -1.328 20 0 DAADMP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001382221750 922627237 /nfs/dbraw/zinc/62/72/37/922627237.db2.gz HYZBMPACVVLAII-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001382238585 922634472 /nfs/dbraw/zinc/63/44/72/922634472.db2.gz OCWFQKHQTIIIAO-OLZOCXBDSA-N 2 1 314.430 -1.079 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001382250889 922643277 /nfs/dbraw/zinc/64/32/77/922643277.db2.gz ONOVPGCWCKWTPE-LLVKDONJSA-N 2 1 302.419 -1.223 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382268244 922650722 /nfs/dbraw/zinc/65/07/22/922650722.db2.gz UMTOJLGFENNAMW-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268244 922650731 /nfs/dbraw/zinc/65/07/31/922650731.db2.gz UMTOJLGFENNAMW-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382268245 922651950 /nfs/dbraw/zinc/65/19/50/922651950.db2.gz UMTOJLGFENNAMW-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268245 922651964 /nfs/dbraw/zinc/65/19/64/922651964.db2.gz UMTOJLGFENNAMW-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001382270290 922654652 /nfs/dbraw/zinc/65/46/52/922654652.db2.gz BPGAXGQGPFBJRF-ZWNOBZJWSA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001382270284 922655269 /nfs/dbraw/zinc/65/52/69/922655269.db2.gz BPGAXGQGPFBJRF-GXFFZTMASA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001382270248 922655753 /nfs/dbraw/zinc/65/57/53/922655753.db2.gz BOYVNUOQZVICPT-VXGBXAGGSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382270811 922656483 /nfs/dbraw/zinc/65/64/83/922656483.db2.gz DRPYYXARJKLTQM-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001382273610 922658774 /nfs/dbraw/zinc/65/87/74/922658774.db2.gz LRAXJIDVQDJJJA-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275444 922661570 /nfs/dbraw/zinc/66/15/70/922661570.db2.gz SYTOIRGZQWQVFP-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001382276795 922662482 /nfs/dbraw/zinc/66/24/82/922662482.db2.gz YAFWXQQFTCQHKP-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275439 922663238 /nfs/dbraw/zinc/66/32/38/922663238.db2.gz SYTOIRGZQWQVFP-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382385007 922711092 /nfs/dbraw/zinc/71/10/92/922711092.db2.gz GTISNVZWMRWLRQ-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382436572 922750546 /nfs/dbraw/zinc/75/05/46/922750546.db2.gz GZBMLFDFZJDSMQ-LLVKDONJSA-N 2 1 313.406 -1.541 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382436572 922750560 /nfs/dbraw/zinc/75/05/60/922750560.db2.gz GZBMLFDFZJDSMQ-LLVKDONJSA-N 2 1 313.406 -1.541 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382439920 922750697 /nfs/dbraw/zinc/75/06/97/922750697.db2.gz HGJRFWUTNSYNJE-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382436575 922751965 /nfs/dbraw/zinc/75/19/65/922751965.db2.gz GZBMLFDFZJDSMQ-NSHDSACASA-N 2 1 313.406 -1.541 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382436575 922751981 /nfs/dbraw/zinc/75/19/81/922751981.db2.gz GZBMLFDFZJDSMQ-NSHDSACASA-N 2 1 313.406 -1.541 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001382441592 922756303 /nfs/dbraw/zinc/75/63/03/922756303.db2.gz KXLMBGOFIOTUAI-ZDUSSCGKSA-N 2 1 323.397 -1.167 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382473376 922773714 /nfs/dbraw/zinc/77/37/14/922773714.db2.gz UQEPHPNQYHNVQZ-LLVKDONJSA-N 2 1 300.403 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382473376 922773726 /nfs/dbraw/zinc/77/37/26/922773726.db2.gz UQEPHPNQYHNVQZ-LLVKDONJSA-N 2 1 300.403 -1.435 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001382524487 922794094 /nfs/dbraw/zinc/79/40/94/922794094.db2.gz MNVLMLNCNAGQPF-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001382524487 922794104 /nfs/dbraw/zinc/79/41/04/922794104.db2.gz MNVLMLNCNAGQPF-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1 ZINC001382633237 922826119 /nfs/dbraw/zinc/82/61/19/922826119.db2.gz UJTYYALZMSUBIF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001383926281 922980602 /nfs/dbraw/zinc/98/06/02/922980602.db2.gz KVTSIMYJUPCUCI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383926281 922980612 /nfs/dbraw/zinc/98/06/12/922980612.db2.gz KVTSIMYJUPCUCI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383926281 922980627 /nfs/dbraw/zinc/98/06/27/922980627.db2.gz KVTSIMYJUPCUCI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001387751814 923410868 /nfs/dbraw/zinc/41/08/68/923410868.db2.gz MQVWZFKDUYLUMK-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001387751814 923410874 /nfs/dbraw/zinc/41/08/74/923410874.db2.gz MQVWZFKDUYLUMK-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387751814 923410880 /nfs/dbraw/zinc/41/08/80/923410880.db2.gz MQVWZFKDUYLUMK-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387751814 923410885 /nfs/dbraw/zinc/41/08/85/923410885.db2.gz MQVWZFKDUYLUMK-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001387751816 923411071 /nfs/dbraw/zinc/41/10/71/923411071.db2.gz MQVWZFKDUYLUMK-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001387751816 923411074 /nfs/dbraw/zinc/41/10/74/923411074.db2.gz MQVWZFKDUYLUMK-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387751816 923411084 /nfs/dbraw/zinc/41/10/84/923411084.db2.gz MQVWZFKDUYLUMK-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387751816 923411099 /nfs/dbraw/zinc/41/10/99/923411099.db2.gz MQVWZFKDUYLUMK-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001387769733 923417366 /nfs/dbraw/zinc/41/73/66/923417366.db2.gz BOBHECJPXNEBMU-QWHCGFSZSA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001387769733 923417379 /nfs/dbraw/zinc/41/73/79/923417379.db2.gz BOBHECJPXNEBMU-QWHCGFSZSA-N 2 1 312.414 -1.016 20 0 DAADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001387924279 923443850 /nfs/dbraw/zinc/44/38/50/923443850.db2.gz AVIFUVSFIZTWDX-ZDUSSCGKSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001387924279 923443862 /nfs/dbraw/zinc/44/38/62/923443862.db2.gz AVIFUVSFIZTWDX-ZDUSSCGKSA-N 2 1 312.414 -1.157 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001389095901 923548692 /nfs/dbraw/zinc/54/86/92/923548692.db2.gz ILJQNSUBLGZGPZ-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685674 923665756 /nfs/dbraw/zinc/66/57/56/923665756.db2.gz IYGGUXZPYLOZOH-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685674 923665770 /nfs/dbraw/zinc/66/57/70/923665770.db2.gz IYGGUXZPYLOZOH-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001389947090 923703206 /nfs/dbraw/zinc/70/32/06/923703206.db2.gz GXOUGUFTALFSTP-XQQFMLRXSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001389947090 923703217 /nfs/dbraw/zinc/70/32/17/923703217.db2.gz GXOUGUFTALFSTP-XQQFMLRXSA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001390016370 923710138 /nfs/dbraw/zinc/71/01/38/923710138.db2.gz SMFQVLQMXYKJMH-DBIOUOCHSA-N 2 1 311.386 -1.242 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390184975 923722529 /nfs/dbraw/zinc/72/25/29/923722529.db2.gz BDUHLUFZNVIOFH-PDWCTOEPSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390184975 923722541 /nfs/dbraw/zinc/72/25/41/923722541.db2.gz BDUHLUFZNVIOFH-PDWCTOEPSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390184975 923722561 /nfs/dbraw/zinc/72/25/61/923722561.db2.gz BDUHLUFZNVIOFH-PDWCTOEPSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390184975 923722571 /nfs/dbraw/zinc/72/25/71/923722571.db2.gz BDUHLUFZNVIOFH-PDWCTOEPSA-N 2 1 313.398 -1.629 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390329607 923727985 /nfs/dbraw/zinc/72/79/85/923727985.db2.gz RTPYSCVVOWZLHU-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390329607 923727992 /nfs/dbraw/zinc/72/79/92/923727992.db2.gz RTPYSCVVOWZLHU-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391217896 923820597 /nfs/dbraw/zinc/82/05/97/923820597.db2.gz GKPUCTVUCWDAFW-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001391514381 923849786 /nfs/dbraw/zinc/84/97/86/923849786.db2.gz ICRWRNROSDNETI-UHFFFAOYSA-N 2 1 313.402 -1.039 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884139 923883304 /nfs/dbraw/zinc/88/33/04/923883304.db2.gz IWVAYIZIQAMARI-WCQYABFASA-N 2 1 310.402 -1.012 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884139 923883313 /nfs/dbraw/zinc/88/33/13/923883313.db2.gz IWVAYIZIQAMARI-WCQYABFASA-N 2 1 310.402 -1.012 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880281 923883774 /nfs/dbraw/zinc/88/37/74/923883774.db2.gz CKMUQJHJZTWTQX-VXGBXAGGSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880281 923883781 /nfs/dbraw/zinc/88/37/81/923883781.db2.gz CKMUQJHJZTWTQX-VXGBXAGGSA-N 2 1 300.403 -1.253 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392099936 923934598 /nfs/dbraw/zinc/93/45/98/923934598.db2.gz QYHQNFCFXYXZNX-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392125874 923937668 /nfs/dbraw/zinc/93/76/68/923937668.db2.gz QVAXITGIRGGANE-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392142359 923940048 /nfs/dbraw/zinc/94/00/48/923940048.db2.gz MRBLQOLANVFGIS-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392142359 923940061 /nfs/dbraw/zinc/94/00/61/923940061.db2.gz MRBLQOLANVFGIS-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392149759 923944568 /nfs/dbraw/zinc/94/45/68/923944568.db2.gz ZHKOOHGJQZANLR-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392367313 923978537 /nfs/dbraw/zinc/97/85/37/923978537.db2.gz RSTHCUFUNXFMTN-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392375380 923985593 /nfs/dbraw/zinc/98/55/93/923985593.db2.gz NRNWBVHIQNBRIZ-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392375380 923985605 /nfs/dbraw/zinc/98/56/05/923985605.db2.gz NRNWBVHIQNBRIZ-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392377195 923989263 /nfs/dbraw/zinc/98/92/63/923989263.db2.gz RFDZINQEAXYFKJ-NEPJUHHUSA-N 2 1 323.401 -1.881 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389774 924003140 /nfs/dbraw/zinc/00/31/40/924003140.db2.gz OZIIKRYTVAUBJB-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001392390235 924003544 /nfs/dbraw/zinc/00/35/44/924003544.db2.gz HRPBCEHUMXUDDA-VXGBXAGGSA-N 2 1 300.403 -1.340 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392403334 924014147 /nfs/dbraw/zinc/01/41/47/924014147.db2.gz UXUWSAWCIXWQHD-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001392420498 924022490 /nfs/dbraw/zinc/02/24/90/924022490.db2.gz HIMAYLYJOKGLHO-ZJUUUORDSA-N 2 1 315.374 -2.410 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392429980 924029741 /nfs/dbraw/zinc/02/97/41/924029741.db2.gz SQOFDDYVAFBNAI-VHSXEESVSA-N 2 1 315.374 -2.540 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392688915 924067332 /nfs/dbraw/zinc/06/73/32/924067332.db2.gz QDXUBLTYUNZHAW-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392688915 924067341 /nfs/dbraw/zinc/06/73/41/924067341.db2.gz QDXUBLTYUNZHAW-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001392727693 924072671 /nfs/dbraw/zinc/07/26/71/924072671.db2.gz XIQGXVYGGTYONN-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001392727693 924072684 /nfs/dbraw/zinc/07/26/84/924072684.db2.gz XIQGXVYGGTYONN-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392727693 924072691 /nfs/dbraw/zinc/07/26/91/924072691.db2.gz XIQGXVYGGTYONN-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392727693 924072704 /nfs/dbraw/zinc/07/27/04/924072704.db2.gz XIQGXVYGGTYONN-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766219 924075248 /nfs/dbraw/zinc/07/52/48/924075248.db2.gz INMSZMRLSYOFBA-WDEREUQCSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957639 924102715 /nfs/dbraw/zinc/10/27/15/924102715.db2.gz XFXLNOIBCMRTTG-NXEZZACHSA-N 2 1 311.386 -1.240 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001393250099 924137387 /nfs/dbraw/zinc/13/73/87/924137387.db2.gz SEQHXRUZMPGUEX-INIZCTEOSA-N 2 1 324.425 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001393250099 924137394 /nfs/dbraw/zinc/13/73/94/924137394.db2.gz SEQHXRUZMPGUEX-INIZCTEOSA-N 2 1 324.425 -1.099 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393271903 924143444 /nfs/dbraw/zinc/14/34/44/924143444.db2.gz HOOCNMXVGLADER-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393272507 924145054 /nfs/dbraw/zinc/14/50/54/924145054.db2.gz CZQIMJFFFOCLPO-XJKSGUPXSA-N 2 1 324.425 -1.086 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277025 924147887 /nfs/dbraw/zinc/14/78/87/924147887.db2.gz AFKHGTNAVILBRV-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283293 924151144 /nfs/dbraw/zinc/15/11/44/924151144.db2.gz YJUAPLLKYOZBEX-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282047 924151622 /nfs/dbraw/zinc/15/16/22/924151622.db2.gz WIMYVDVIGWCXLI-FZMZJTMJSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282041 924152246 /nfs/dbraw/zinc/15/22/46/924152246.db2.gz WIMYVDVIGWCXLI-BXUZGUMPSA-N 2 1 300.403 -1.374 20 0 DAADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393398310 924195526 /nfs/dbraw/zinc/19/55/26/924195526.db2.gz SSYKLKCLVDTIOP-STQMWFEESA-N 2 1 312.414 -1.122 20 0 DAADMP COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393457111 924207958 /nfs/dbraw/zinc/20/79/58/924207958.db2.gz VJQOLCROEYIUGJ-DZGCQCFKSA-N 2 1 317.430 -1.112 20 0 DAADMP COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393457139 924209556 /nfs/dbraw/zinc/20/95/56/924209556.db2.gz VJQOLCROEYIUGJ-ZFWWWQNUSA-N 2 1 317.430 -1.112 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001393456707 924211276 /nfs/dbraw/zinc/21/12/76/924211276.db2.gz FFZWYDMHJPNJET-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393478114 924215824 /nfs/dbraw/zinc/21/58/24/924215824.db2.gz HPWQUEQCFYEZBT-NWDGAFQWSA-N 2 1 300.403 -1.388 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001393581996 924230233 /nfs/dbraw/zinc/23/02/33/924230233.db2.gz GVBWTJRJAIUVRS-CMPLNLGQSA-N 2 1 309.370 -1.118 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001394372926 924300358 /nfs/dbraw/zinc/30/03/58/924300358.db2.gz YZIXTYJLQXJJQI-LPWJVIDDSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001394372926 924300366 /nfs/dbraw/zinc/30/03/66/924300366.db2.gz YZIXTYJLQXJJQI-LPWJVIDDSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001394472416 924303604 /nfs/dbraw/zinc/30/36/04/924303604.db2.gz AWBAZYRUOBVFKM-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558886 924307305 /nfs/dbraw/zinc/30/73/05/924307305.db2.gz FBLNQQXKRZRFES-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558886 924307313 /nfs/dbraw/zinc/30/73/13/924307313.db2.gz FBLNQQXKRZRFES-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001394575359 924313181 /nfs/dbraw/zinc/31/31/81/924313181.db2.gz FZFJJTQKKSATSV-YPMHNXCESA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394575359 924313185 /nfs/dbraw/zinc/31/31/85/924313185.db2.gz FZFJJTQKKSATSV-YPMHNXCESA-N 2 1 310.402 -1.041 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394608825 924335120 /nfs/dbraw/zinc/33/51/20/924335120.db2.gz BOGQMAQXEYUOMP-AGIUHOORSA-N 2 1 303.403 -1.455 20 0 DAADMP COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394608842 924335679 /nfs/dbraw/zinc/33/56/79/924335679.db2.gz BOGQMAQXEYUOMP-XQQFMLRXSA-N 2 1 303.403 -1.455 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394608835 924335706 /nfs/dbraw/zinc/33/57/06/924335706.db2.gz BOGQMAQXEYUOMP-UPJWGTAASA-N 2 1 303.403 -1.455 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001394791409 924390485 /nfs/dbraw/zinc/39/04/85/924390485.db2.gz OPBFNLRBOLBRTF-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001394791409 924390496 /nfs/dbraw/zinc/39/04/96/924390496.db2.gz OPBFNLRBOLBRTF-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001394791409 924390502 /nfs/dbraw/zinc/39/05/02/924390502.db2.gz OPBFNLRBOLBRTF-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001394791409 924390510 /nfs/dbraw/zinc/39/05/10/924390510.db2.gz OPBFNLRBOLBRTF-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC1 ZINC001394787061 924390576 /nfs/dbraw/zinc/39/05/76/924390576.db2.gz PYWFSVYHSRAISV-ZDUSSCGKSA-N 2 1 314.430 -1.045 20 0 DAADMP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC1 ZINC001394787061 924390584 /nfs/dbraw/zinc/39/05/84/924390584.db2.gz PYWFSVYHSRAISV-ZDUSSCGKSA-N 2 1 314.430 -1.045 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001394859824 924396210 /nfs/dbraw/zinc/39/62/10/924396210.db2.gz JMJZWIVMIMEUES-UHFFFAOYSA-N 2 1 322.369 -1.035 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395797174 924480158 /nfs/dbraw/zinc/48/01/58/924480158.db2.gz APTDIYWVJAWDLG-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396394471 924519291 /nfs/dbraw/zinc/51/92/91/924519291.db2.gz SNBYWGNDMZLTEZ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001396916942 924547412 /nfs/dbraw/zinc/54/74/12/924547412.db2.gz YPFLCORHAFVOLJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001396916942 924547422 /nfs/dbraw/zinc/54/74/22/924547422.db2.gz YPFLCORHAFVOLJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397139688 924559633 /nfs/dbraw/zinc/55/96/33/924559633.db2.gz JCOLUOVOHPHBHR-JHJVBQTASA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397139688 924559642 /nfs/dbraw/zinc/55/96/42/924559642.db2.gz JCOLUOVOHPHBHR-JHJVBQTASA-N 2 1 312.414 -1.063 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398621599 924657370 /nfs/dbraw/zinc/65/73/70/924657370.db2.gz JENSESXMGHYYOW-OUAUKWLOSA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001398927259 924678709 /nfs/dbraw/zinc/67/87/09/924678709.db2.gz TZFCQAQQKXIEOG-GMTAPVOTSA-N 2 1 313.402 -1.124 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304282 924697337 /nfs/dbraw/zinc/69/73/37/924697337.db2.gz OSCVRTOSDHMEIF-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304282 924697340 /nfs/dbraw/zinc/69/73/40/924697340.db2.gz OSCVRTOSDHMEIF-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001399717147 924719833 /nfs/dbraw/zinc/71/98/33/924719833.db2.gz YTRJAEYAEQCPTM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001399717147 924719842 /nfs/dbraw/zinc/71/98/42/924719842.db2.gz YTRJAEYAEQCPTM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001399717147 924719860 /nfs/dbraw/zinc/71/98/60/924719860.db2.gz YTRJAEYAEQCPTM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001399717147 924719865 /nfs/dbraw/zinc/71/98/65/924719865.db2.gz YTRJAEYAEQCPTM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001399829779 924739638 /nfs/dbraw/zinc/73/96/38/924739638.db2.gz IHEQTUCHOZIHEY-QWHCGFSZSA-N 2 1 324.425 -1.373 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399858602 924747463 /nfs/dbraw/zinc/74/74/63/924747463.db2.gz SBVMZKTUVKHSBX-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399858602 924747471 /nfs/dbraw/zinc/74/74/71/924747471.db2.gz SBVMZKTUVKHSBX-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399858602 924747479 /nfs/dbraw/zinc/74/74/79/924747479.db2.gz SBVMZKTUVKHSBX-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400800072 924832663 /nfs/dbraw/zinc/83/26/63/924832663.db2.gz XFHGIAUNSWZLGZ-CYBMUJFWSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400800072 924832673 /nfs/dbraw/zinc/83/26/73/924832673.db2.gz XFHGIAUNSWZLGZ-CYBMUJFWSA-N 2 1 312.414 -1.062 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(N)=O ZINC001401108586 924841949 /nfs/dbraw/zinc/84/19/49/924841949.db2.gz RDLWPNCQBBTPNX-GMTAPVOTSA-N 2 1 313.402 -1.137 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353022 924859287 /nfs/dbraw/zinc/85/92/87/924859287.db2.gz RTFLGOHKJCTNSX-NWDGAFQWSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353022 924859296 /nfs/dbraw/zinc/85/92/96/924859296.db2.gz RTFLGOHKJCTNSX-NWDGAFQWSA-N 2 1 300.403 -1.077 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001401497966 924866293 /nfs/dbraw/zinc/86/62/93/924866293.db2.gz NBYUHASXQYRFRL-CHWSQXEVSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001401497966 924866299 /nfs/dbraw/zinc/86/62/99/924866299.db2.gz NBYUHASXQYRFRL-CHWSQXEVSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001401497976 924866763 /nfs/dbraw/zinc/86/67/63/924866763.db2.gz NBYUHASXQYRFRL-STQMWFEESA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001401497976 924866772 /nfs/dbraw/zinc/86/67/72/924866772.db2.gz NBYUHASXQYRFRL-STQMWFEESA-N 2 1 310.402 -1.041 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401499115 924868588 /nfs/dbraw/zinc/86/85/88/924868588.db2.gz CBLWIPZAVHDSST-GHMZBOCLSA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401499115 924868593 /nfs/dbraw/zinc/86/85/93/924868593.db2.gz CBLWIPZAVHDSST-GHMZBOCLSA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401499160 924869105 /nfs/dbraw/zinc/86/91/05/924869105.db2.gz CBLWIPZAVHDSST-MNOVXSKESA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401499160 924869110 /nfs/dbraw/zinc/86/91/10/924869110.db2.gz CBLWIPZAVHDSST-MNOVXSKESA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401499190 924869992 /nfs/dbraw/zinc/86/99/92/924869992.db2.gz CBLWIPZAVHDSST-WDEREUQCSA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401499190 924869994 /nfs/dbraw/zinc/86/99/94/924869994.db2.gz CBLWIPZAVHDSST-WDEREUQCSA-N 2 1 302.375 -2.480 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001401549831 924884533 /nfs/dbraw/zinc/88/45/33/924884533.db2.gz LAYIVRSLDYWUMZ-LBPRGKRZSA-N 2 1 307.358 -1.413 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555588 924889401 /nfs/dbraw/zinc/88/94/01/924889401.db2.gz LSZIZESTPQCBIY-MNOVXSKESA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555588 924889406 /nfs/dbraw/zinc/88/94/06/924889406.db2.gz LSZIZESTPQCBIY-MNOVXSKESA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001401562102 924892712 /nfs/dbraw/zinc/89/27/12/924892712.db2.gz UPSUBHHMXHENKK-VHSXEESVSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001401562105 924892863 /nfs/dbraw/zinc/89/28/63/924892863.db2.gz UPSUBHHMXHENKK-ZJUUUORDSA-N 2 1 315.374 -2.410 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001401572778 924897305 /nfs/dbraw/zinc/89/73/05/924897305.db2.gz RUYVKIMIZBFFEP-CYBMUJFWSA-N 2 1 310.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001401581494 924900629 /nfs/dbraw/zinc/90/06/29/924900629.db2.gz KZPDWQYWHJTDBR-WCQYABFASA-N 2 1 312.414 -1.327 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001401591129 924902525 /nfs/dbraw/zinc/90/25/25/924902525.db2.gz UHVPOVQCCRCSTJ-VIFPVBQESA-N 2 1 303.363 -2.412 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401591946 924902601 /nfs/dbraw/zinc/90/26/01/924902601.db2.gz VXMVXSLCHYUBHU-VXGBXAGGSA-N 2 1 300.403 -1.328 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001401591093 924903258 /nfs/dbraw/zinc/90/32/58/924903258.db2.gz UHVPOVQCCRCSTJ-SECBINFHSA-N 2 1 303.363 -2.412 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001401690411 924914513 /nfs/dbraw/zinc/91/45/13/924914513.db2.gz NIJBVPKHVWTFEW-VIFPVBQESA-N 2 1 310.358 -1.259 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001401942319 924935479 /nfs/dbraw/zinc/93/54/79/924935479.db2.gz SDEMAMJRGVRZAA-JTQLQIEISA-N 2 1 311.386 -1.225 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402288741 924965529 /nfs/dbraw/zinc/96/55/29/924965529.db2.gz LASWCYMOOVYKMG-DOMZBBRYSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402288741 924965536 /nfs/dbraw/zinc/96/55/36/924965536.db2.gz LASWCYMOOVYKMG-DOMZBBRYSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402288741 924965541 /nfs/dbraw/zinc/96/55/41/924965541.db2.gz LASWCYMOOVYKMG-DOMZBBRYSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402288741 924965546 /nfs/dbraw/zinc/96/55/46/924965546.db2.gz LASWCYMOOVYKMG-DOMZBBRYSA-N 2 1 312.414 -1.421 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001402295157 924968012 /nfs/dbraw/zinc/96/80/12/924968012.db2.gz UXAASPWMYATCHF-CQSZACIVSA-N 2 1 301.387 -1.746 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402295157 924968020 /nfs/dbraw/zinc/96/80/20/924968020.db2.gz UXAASPWMYATCHF-CQSZACIVSA-N 2 1 301.387 -1.746 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001402310000 924971224 /nfs/dbraw/zinc/97/12/24/924971224.db2.gz HWYBEHMEHXOUQW-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CCN1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001402310000 924971232 /nfs/dbraw/zinc/97/12/32/924971232.db2.gz HWYBEHMEHXOUQW-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001402309050 924971505 /nfs/dbraw/zinc/97/15/05/924971505.db2.gz HWYBEHMEHXOUQW-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP CCN1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001402309050 924971510 /nfs/dbraw/zinc/97/15/10/924971510.db2.gz HWYBEHMEHXOUQW-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313479 924973880 /nfs/dbraw/zinc/97/38/80/924973880.db2.gz JQIREVCTKGISLH-XHDPSFHLSA-N 2 1 310.398 -1.491 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313479 924973888 /nfs/dbraw/zinc/97/38/88/924973888.db2.gz JQIREVCTKGISLH-XHDPSFHLSA-N 2 1 310.398 -1.491 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001402448142 924997526 /nfs/dbraw/zinc/99/75/26/924997526.db2.gz VOQRJRRBWYKRCG-QWRGUYRKSA-N 2 1 322.369 -1.035 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001402595666 925014517 /nfs/dbraw/zinc/01/45/17/925014517.db2.gz JNPVFEZTXSVWQJ-GFCCVEGCSA-N 2 1 309.370 -1.245 20 0 DAADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402753764 925026506 /nfs/dbraw/zinc/02/65/06/925026506.db2.gz YLVILDBXXHVSQF-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402815749 925032448 /nfs/dbraw/zinc/03/24/48/925032448.db2.gz FFSXLPTVUKFHBS-AVGNSLFASA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402815749 925032455 /nfs/dbraw/zinc/03/24/55/925032455.db2.gz FFSXLPTVUKFHBS-AVGNSLFASA-N 2 1 303.403 -1.191 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402875104 925035381 /nfs/dbraw/zinc/03/53/81/925035381.db2.gz XUOIMFPKDHLTEG-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402875104 925035387 /nfs/dbraw/zinc/03/53/87/925035387.db2.gz XUOIMFPKDHLTEG-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402875101 925036799 /nfs/dbraw/zinc/03/67/99/925036799.db2.gz XUOIMFPKDHLTEG-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402875101 925036808 /nfs/dbraw/zinc/03/68/08/925036808.db2.gz XUOIMFPKDHLTEG-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001403697205 925120845 /nfs/dbraw/zinc/12/08/45/925120845.db2.gz AFXINPCGZBLWQP-UONOGXRCSA-N 2 1 315.414 -1.188 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001403723889 925130994 /nfs/dbraw/zinc/13/09/94/925130994.db2.gz JNIKZLCYUBDKOI-NXEZZACHSA-N 2 1 315.374 -2.410 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731931 925133018 /nfs/dbraw/zinc/13/30/18/925133018.db2.gz RCICLEMJHPQSHR-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCNS(C)(=O)=O ZINC001403729091 925133387 /nfs/dbraw/zinc/13/33/87/925133387.db2.gz FSDGEWRTCOJRIS-UHFFFAOYSA-N 2 1 318.443 -1.321 20 0 DAADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCNS(C)(=O)=O ZINC001403729091 925133392 /nfs/dbraw/zinc/13/33/92/925133392.db2.gz FSDGEWRTCOJRIS-UHFFFAOYSA-N 2 1 318.443 -1.321 20 0 DAADMP Cn1cc(CC[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001403749226 925137139 /nfs/dbraw/zinc/13/71/39/925137139.db2.gz PSKHFCUVVBBYMJ-KGLIPLIRSA-N 2 1 309.414 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001403854541 925155920 /nfs/dbraw/zinc/15/59/20/925155920.db2.gz RPVJNQBYIVSRON-RYUDHWBXSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[C@H](C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O)[NH+](C)C ZINC001403861609 925157342 /nfs/dbraw/zinc/15/73/42/925157342.db2.gz FLSUCRBIVUGPGG-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[C@H](C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O)[NH+](C)C ZINC001403861609 925157346 /nfs/dbraw/zinc/15/73/46/925157346.db2.gz FLSUCRBIVUGPGG-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001403873021 925159695 /nfs/dbraw/zinc/15/96/95/925159695.db2.gz FFMPZQDORUBMGG-RYUDHWBXSA-N 2 1 302.419 -1.130 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001403873020 925160695 /nfs/dbraw/zinc/16/06/95/925160695.db2.gz FFMPZQDORUBMGG-NWDGAFQWSA-N 2 1 302.419 -1.130 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001403878591 925161879 /nfs/dbraw/zinc/16/18/79/925161879.db2.gz KSNFJNHHOSNXIX-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891281 925164392 /nfs/dbraw/zinc/16/43/92/925164392.db2.gz BVBXGMDQQDTCGQ-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001403902752 925170785 /nfs/dbraw/zinc/17/07/85/925170785.db2.gz QXQDHLDJGOJVOJ-GFCCVEGCSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001403902752 925170790 /nfs/dbraw/zinc/17/07/90/925170790.db2.gz QXQDHLDJGOJVOJ-GFCCVEGCSA-N 2 1 312.414 -1.149 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404081014 925183098 /nfs/dbraw/zinc/18/30/98/925183098.db2.gz LKPMSIXEFUESRU-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404081014 925183107 /nfs/dbraw/zinc/18/31/07/925183107.db2.gz LKPMSIXEFUESRU-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404081014 925183109 /nfs/dbraw/zinc/18/31/09/925183109.db2.gz LKPMSIXEFUESRU-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001404308012 925190600 /nfs/dbraw/zinc/19/06/00/925190600.db2.gz BFVNHFMRNVXUNY-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001404308012 925190602 /nfs/dbraw/zinc/19/06/02/925190602.db2.gz BFVNHFMRNVXUNY-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001404590252 925206307 /nfs/dbraw/zinc/20/63/07/925206307.db2.gz KOJUZMMZPBWDLY-NSHDSACASA-N 2 1 313.402 -1.087 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001404624908 925206449 /nfs/dbraw/zinc/20/64/49/925206449.db2.gz KBGVXHPGRYNRQS-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001404624908 925206459 /nfs/dbraw/zinc/20/64/59/925206459.db2.gz KBGVXHPGRYNRQS-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001404624906 925206934 /nfs/dbraw/zinc/20/69/34/925206934.db2.gz KBGVXHPGRYNRQS-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001404624906 925206941 /nfs/dbraw/zinc/20/69/41/925206941.db2.gz KBGVXHPGRYNRQS-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001405406198 925307498 /nfs/dbraw/zinc/30/74/98/925307498.db2.gz YKEYNZIZVRUONL-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405406198 925307505 /nfs/dbraw/zinc/30/75/05/925307505.db2.gz YKEYNZIZVRUONL-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405406198 925307514 /nfs/dbraw/zinc/30/75/14/925307514.db2.gz YKEYNZIZVRUONL-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001405406188 925308160 /nfs/dbraw/zinc/30/81/60/925308160.db2.gz YKEYNZIZVRUONL-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405406188 925308169 /nfs/dbraw/zinc/30/81/69/925308169.db2.gz YKEYNZIZVRUONL-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405406188 925308181 /nfs/dbraw/zinc/30/81/81/925308181.db2.gz YKEYNZIZVRUONL-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405792157 925336041 /nfs/dbraw/zinc/33/60/41/925336041.db2.gz GBQLCWHXAXYWNU-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405792157 925336052 /nfs/dbraw/zinc/33/60/52/925336052.db2.gz GBQLCWHXAXYWNU-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001405865930 925338694 /nfs/dbraw/zinc/33/86/94/925338694.db2.gz DCEGBDYPHUNRLF-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406241684 925371238 /nfs/dbraw/zinc/37/12/38/925371238.db2.gz BMUVGIVOAFAUKC-ZJUUUORDSA-N 2 1 300.359 -1.203 20 0 DAADMP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001406253168 925376886 /nfs/dbraw/zinc/37/68/86/925376886.db2.gz WYIQAIKVWOCZOA-STQMWFEESA-N 2 1 312.414 -1.055 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001406252555 925377859 /nfs/dbraw/zinc/37/78/59/925377859.db2.gz XUCRRZPMUVPQFB-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001406262855 925384104 /nfs/dbraw/zinc/38/41/04/925384104.db2.gz XTBOWIMXNOKQDX-CYBMUJFWSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001406266472 925385102 /nfs/dbraw/zinc/38/51/02/925385102.db2.gz MKYVKMIBWIXWEI-MNOVXSKESA-N 2 1 311.386 -1.053 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001406296953 925398395 /nfs/dbraw/zinc/39/83/95/925398395.db2.gz UJRYTQLCGUYEIG-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001406296959 925398584 /nfs/dbraw/zinc/39/85/84/925398584.db2.gz UJRYTQLCGUYEIG-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406681932 925428886 /nfs/dbraw/zinc/42/88/86/925428886.db2.gz UVCDXMLNAWINNN-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406681932 925428890 /nfs/dbraw/zinc/42/88/90/925428890.db2.gz UVCDXMLNAWINNN-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406681932 925428896 /nfs/dbraw/zinc/42/88/96/925428896.db2.gz UVCDXMLNAWINNN-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406681932 925428904 /nfs/dbraw/zinc/42/89/04/925428904.db2.gz UVCDXMLNAWINNN-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406681917 925428933 /nfs/dbraw/zinc/42/89/33/925428933.db2.gz UVCDXMLNAWINNN-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406681917 925428942 /nfs/dbraw/zinc/42/89/42/925428942.db2.gz UVCDXMLNAWINNN-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406681917 925428946 /nfs/dbraw/zinc/42/89/46/925428946.db2.gz UVCDXMLNAWINNN-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406681917 925428952 /nfs/dbraw/zinc/42/89/52/925428952.db2.gz UVCDXMLNAWINNN-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001407115849 925452936 /nfs/dbraw/zinc/45/29/36/925452936.db2.gz SSGRMABIFWWTLD-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407371862 925473157 /nfs/dbraw/zinc/47/31/57/925473157.db2.gz WDXRZUFDTJKSGC-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407371862 925473161 /nfs/dbraw/zinc/47/31/61/925473161.db2.gz WDXRZUFDTJKSGC-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001407368369 925473203 /nfs/dbraw/zinc/47/32/03/925473203.db2.gz SAQCECVCITVMRH-SLEUVZQESA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001407368369 925473206 /nfs/dbraw/zinc/47/32/06/925473206.db2.gz SAQCECVCITVMRH-SLEUVZQESA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001407368369 925473210 /nfs/dbraw/zinc/47/32/10/925473210.db2.gz SAQCECVCITVMRH-SLEUVZQESA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001407368369 925473214 /nfs/dbraw/zinc/47/32/14/925473214.db2.gz SAQCECVCITVMRH-SLEUVZQESA-N 2 1 312.414 -1.245 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001407866696 925531474 /nfs/dbraw/zinc/53/14/74/925531474.db2.gz RVSJWHDCVMYPNY-NWDGAFQWSA-N 2 1 309.370 -1.118 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001407866720 925532077 /nfs/dbraw/zinc/53/20/77/925532077.db2.gz RVSJWHDCVMYPNY-VXGBXAGGSA-N 2 1 309.370 -1.118 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001408034498 925540994 /nfs/dbraw/zinc/54/09/94/925540994.db2.gz ITPSDDFARUXPIN-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001408034497 925541466 /nfs/dbraw/zinc/54/14/66/925541466.db2.gz ITPSDDFARUXPIN-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001408148289 925551918 /nfs/dbraw/zinc/55/19/18/925551918.db2.gz VHIADMQOOIVLNS-NSHDSACASA-N 2 1 314.386 -2.255 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001408148289 925551922 /nfs/dbraw/zinc/55/19/22/925551922.db2.gz VHIADMQOOIVLNS-NSHDSACASA-N 2 1 314.386 -2.255 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001409078733 925610143 /nfs/dbraw/zinc/61/01/43/925610143.db2.gz YRRJGANIITXQMM-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001409078733 925610147 /nfs/dbraw/zinc/61/01/47/925610147.db2.gz YRRJGANIITXQMM-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001409108392 925615677 /nfs/dbraw/zinc/61/56/77/925615677.db2.gz PYGQPMBMQHNMAG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001409108392 925615683 /nfs/dbraw/zinc/61/56/83/925615683.db2.gz PYGQPMBMQHNMAG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001409108392 925615693 /nfs/dbraw/zinc/61/56/93/925615693.db2.gz PYGQPMBMQHNMAG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001409108392 925615698 /nfs/dbraw/zinc/61/56/98/925615698.db2.gz PYGQPMBMQHNMAG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(=O)NC(N)=O ZINC001409627535 925640745 /nfs/dbraw/zinc/64/07/45/925640745.db2.gz OCUOXPHRUMQWAX-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409627535 925640748 /nfs/dbraw/zinc/64/07/48/925640748.db2.gz OCUOXPHRUMQWAX-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410129013 925690728 /nfs/dbraw/zinc/69/07/28/925690728.db2.gz LWPDMGLYKLRWAK-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001410143225 925694603 /nfs/dbraw/zinc/69/46/03/925694603.db2.gz WTUHWZAQYYCFBV-RTCCRHLQSA-N 2 1 311.386 -1.573 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410770012 925775198 /nfs/dbraw/zinc/77/51/98/925775198.db2.gz JLQRGHPLIIGQKL-NWDGAFQWSA-N 2 1 314.386 -2.336 20 0 DAADMP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775841 925778627 /nfs/dbraw/zinc/77/86/27/925778627.db2.gz AJZZRDWDOVXIAY-RYUDHWBXSA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001410777641 925778905 /nfs/dbraw/zinc/77/89/05/925778905.db2.gz RFBZJNDNXUXDKY-MNOVXSKESA-N 2 1 302.375 -2.351 20 0 DAADMP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410780362 925780907 /nfs/dbraw/zinc/78/09/07/925780907.db2.gz FIUBMXFGCPTAQC-OLZOCXBDSA-N 2 1 309.414 -1.019 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001411036810 925802489 /nfs/dbraw/zinc/80/24/89/925802489.db2.gz BSRREHCTTIDDBF-PWSUYJOCSA-N 2 1 300.403 -1.247 20 0 DAADMP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001411044804 925805828 /nfs/dbraw/zinc/80/58/28/925805828.db2.gz PSOSSPLLFVPSQK-OLZOCXBDSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411138516 925818682 /nfs/dbraw/zinc/81/86/82/925818682.db2.gz LVEWAOCBNPMCPJ-STQMWFEESA-N 2 1 312.414 -1.421 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411148008 925821287 /nfs/dbraw/zinc/82/12/87/925821287.db2.gz ULIMSZBQJLEIMS-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001411170668 925825879 /nfs/dbraw/zinc/82/58/79/925825879.db2.gz PJHVRGCOKHEDRN-CHWSQXEVSA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001411170668 925825888 /nfs/dbraw/zinc/82/58/88/925825888.db2.gz PJHVRGCOKHEDRN-CHWSQXEVSA-N 2 1 312.414 -1.435 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976700 925997617 /nfs/dbraw/zinc/99/76/17/925997617.db2.gz WNBIUAUAGPXBQL-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001413326630 926036912 /nfs/dbraw/zinc/03/69/12/926036912.db2.gz COSACQPYPORIEO-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001413326612 926037762 /nfs/dbraw/zinc/03/77/62/926037762.db2.gz COSACQPYPORIEO-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCC[NH+]1C ZINC001415471327 926184999 /nfs/dbraw/zinc/18/49/99/926184999.db2.gz XCCMNWQBAWBNLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCC[NH+]1C ZINC001415471327 926185011 /nfs/dbraw/zinc/18/50/11/926185011.db2.gz XCCMNWQBAWBNLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001415471327 926185023 /nfs/dbraw/zinc/18/50/23/926185023.db2.gz XCCMNWQBAWBNLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CCC[N@H+]1C ZINC001415471327 926185028 /nfs/dbraw/zinc/18/50/28/926185028.db2.gz XCCMNWQBAWBNLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001415504255 926189019 /nfs/dbraw/zinc/18/90/19/926189019.db2.gz XSDXRCBJTFIMOX-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001415504255 926189022 /nfs/dbraw/zinc/18/90/22/926189022.db2.gz XSDXRCBJTFIMOX-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415504255 926189028 /nfs/dbraw/zinc/18/90/28/926189028.db2.gz XSDXRCBJTFIMOX-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415504255 926189034 /nfs/dbraw/zinc/18/90/34/926189034.db2.gz XSDXRCBJTFIMOX-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415605067 926198129 /nfs/dbraw/zinc/19/81/29/926198129.db2.gz AHSUZYQVODSSQK-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415605067 926198135 /nfs/dbraw/zinc/19/81/35/926198135.db2.gz AHSUZYQVODSSQK-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001416778966 926275027 /nfs/dbraw/zinc/27/50/27/926275027.db2.gz QOIBHPZAMSZITP-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NC(N)=O ZINC001418294965 926379468 /nfs/dbraw/zinc/37/94/68/926379468.db2.gz WUHPZDAWTVORSQ-JTQLQIEISA-N 2 1 315.374 -2.002 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001418330148 926384091 /nfs/dbraw/zinc/38/40/91/926384091.db2.gz ISYSTOZHXCAYHM-WDEREUQCSA-N 2 1 311.386 -1.273 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001418669058 926414850 /nfs/dbraw/zinc/41/48/50/926414850.db2.gz BKHDWDYCRZHTQS-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419173577 926463497 /nfs/dbraw/zinc/46/34/97/926463497.db2.gz GFJKTDITUJQPOM-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419173577 926463505 /nfs/dbraw/zinc/46/35/05/926463505.db2.gz GFJKTDITUJQPOM-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419578105 926489049 /nfs/dbraw/zinc/48/90/49/926489049.db2.gz VDARRIPHBYNQTG-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419578105 926489053 /nfs/dbraw/zinc/48/90/53/926489053.db2.gz VDARRIPHBYNQTG-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721420 926496348 /nfs/dbraw/zinc/49/63/48/926496348.db2.gz UQLLQLXKELUJJP-BDAKNGLRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721420 926496352 /nfs/dbraw/zinc/49/63/52/926496352.db2.gz UQLLQLXKELUJJP-BDAKNGLRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721428 926496905 /nfs/dbraw/zinc/49/69/05/926496905.db2.gz UQLLQLXKELUJJP-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721428 926496912 /nfs/dbraw/zinc/49/69/12/926496912.db2.gz UQLLQLXKELUJJP-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107618 926525180 /nfs/dbraw/zinc/52/51/80/926525180.db2.gz JPTNWHWSPNMBLE-KGLIPLIRSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107618 926525189 /nfs/dbraw/zinc/52/51/89/926525189.db2.gz JPTNWHWSPNMBLE-KGLIPLIRSA-N 2 1 308.382 -1.021 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001420174339 926551465 /nfs/dbraw/zinc/55/14/65/926551465.db2.gz KNBOGPZUKNIZFW-ZYHUDNBSSA-N 2 1 313.406 -1.637 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177180 926553119 /nfs/dbraw/zinc/55/31/19/926553119.db2.gz WFSXQPPSMPBAGT-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177180 926553130 /nfs/dbraw/zinc/55/31/30/926553130.db2.gz WFSXQPPSMPBAGT-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177184 926553489 /nfs/dbraw/zinc/55/34/89/926553489.db2.gz WFSXQPPSMPBAGT-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177184 926553502 /nfs/dbraw/zinc/55/35/02/926553502.db2.gz WFSXQPPSMPBAGT-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420192858 926558404 /nfs/dbraw/zinc/55/84/04/926558404.db2.gz RSRWDHBMAIMYEO-RYUDHWBXSA-N 2 1 300.403 -1.471 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001420193665 926558607 /nfs/dbraw/zinc/55/86/07/926558607.db2.gz KFVNUCFITLDJMF-GHMZBOCLSA-N 2 1 323.401 -1.566 20 0 DAADMP CN1CCO[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001420195799 926561288 /nfs/dbraw/zinc/56/12/88/926561288.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001420195799 926561296 /nfs/dbraw/zinc/56/12/96/926561296.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001420222554 926567418 /nfs/dbraw/zinc/56/74/18/926567418.db2.gz VJEWWKWUPFXZBD-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001420222554 926567428 /nfs/dbraw/zinc/56/74/28/926567428.db2.gz VJEWWKWUPFXZBD-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001420222554 926567436 /nfs/dbraw/zinc/56/74/36/926567436.db2.gz VJEWWKWUPFXZBD-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001420222554 926567445 /nfs/dbraw/zinc/56/74/45/926567445.db2.gz VJEWWKWUPFXZBD-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001420266529 926572326 /nfs/dbraw/zinc/57/23/26/926572326.db2.gz NSQHUZXXFIDLDL-WCQYABFASA-N 2 1 323.397 -1.075 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001420511148 926597132 /nfs/dbraw/zinc/59/71/32/926597132.db2.gz ATKMVARVCRTQGU-RWMBFGLXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001420511148 926597139 /nfs/dbraw/zinc/59/71/39/926597139.db2.gz ATKMVARVCRTQGU-RWMBFGLXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](O)COC)CC2)C1 ZINC001421008142 926634369 /nfs/dbraw/zinc/63/43/69/926634369.db2.gz WPBOJVABLHFIMQ-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]C[C@H](O)COC)CC2)C1 ZINC001421008142 926634373 /nfs/dbraw/zinc/63/43/73/926634373.db2.gz WPBOJVABLHFIMQ-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC001420993185 926634604 /nfs/dbraw/zinc/63/46/04/926634604.db2.gz GPTKWTAQDSVAAI-UHFFFAOYSA-N 2 1 320.397 -1.057 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001421342460 926668253 /nfs/dbraw/zinc/66/82/53/926668253.db2.gz UNXFGGXIQJVVQC-UKRRQHHQSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342460 926668262 /nfs/dbraw/zinc/66/82/62/926668262.db2.gz UNXFGGXIQJVVQC-UKRRQHHQSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342460 926668274 /nfs/dbraw/zinc/66/82/74/926668274.db2.gz UNXFGGXIQJVVQC-UKRRQHHQSA-N 2 1 322.413 -1.075 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001421366709 926676062 /nfs/dbraw/zinc/67/60/62/926676062.db2.gz WYOLADNTPZJCPR-NFAWXSAZSA-N 2 1 317.430 -1.113 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001421674079 926743435 /nfs/dbraw/zinc/74/34/35/926743435.db2.gz IYOCKWOHJHLXGG-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP C[NH+](C)CCC(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422192059 926795851 /nfs/dbraw/zinc/79/58/51/926795851.db2.gz AQWQISZIEMKTRH-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422202927 926799089 /nfs/dbraw/zinc/79/90/89/926799089.db2.gz ZYQNTMREEFZRGT-UHFFFAOYSA-N 2 1 301.391 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001422202927 926799094 /nfs/dbraw/zinc/79/90/94/926799094.db2.gz ZYQNTMREEFZRGT-UHFFFAOYSA-N 2 1 301.391 -1.216 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422278738 926809284 /nfs/dbraw/zinc/80/92/84/926809284.db2.gz VRSPAWMXAYCZIR-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422278738 926809290 /nfs/dbraw/zinc/80/92/90/926809290.db2.gz VRSPAWMXAYCZIR-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001422358716 926848946 /nfs/dbraw/zinc/84/89/46/926848946.db2.gz HZBUDSYNOQFUKH-DGCLKSJQSA-N 2 1 323.397 -1.433 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422366414 926853541 /nfs/dbraw/zinc/85/35/41/926853541.db2.gz ZQLKDLWZXTUZTE-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001422407452 926865860 /nfs/dbraw/zinc/86/58/60/926865860.db2.gz PLNVSKGDDPWPLX-YPMHNXCESA-N 2 1 312.418 -1.032 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001422408845 926866001 /nfs/dbraw/zinc/86/60/01/926866001.db2.gz WDGAGIZKBFCVIY-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001422406127 926867160 /nfs/dbraw/zinc/86/71/60/926867160.db2.gz XDAAOCBUPQOCMG-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001422406127 926867173 /nfs/dbraw/zinc/86/71/73/926867173.db2.gz XDAAOCBUPQOCMG-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001422412812 926869302 /nfs/dbraw/zinc/86/93/02/926869302.db2.gz VMHWSMZALKZHMT-QWHCGFSZSA-N 2 1 312.418 -1.032 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422902708 926929455 /nfs/dbraw/zinc/92/94/55/926929455.db2.gz SZJHMMVCVHRROH-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422902708 926929464 /nfs/dbraw/zinc/92/94/64/926929464.db2.gz SZJHMMVCVHRROH-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001422902708 926929471 /nfs/dbraw/zinc/92/94/71/926929471.db2.gz SZJHMMVCVHRROH-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001422902708 926929480 /nfs/dbraw/zinc/92/94/80/926929480.db2.gz SZJHMMVCVHRROH-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422917644 926929635 /nfs/dbraw/zinc/92/96/35/926929635.db2.gz MREGILQMPCCFEW-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422917644 926929645 /nfs/dbraw/zinc/92/96/45/926929645.db2.gz MREGILQMPCCFEW-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001422917644 926929652 /nfs/dbraw/zinc/92/96/52/926929652.db2.gz MREGILQMPCCFEW-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001422917644 926929658 /nfs/dbraw/zinc/92/96/58/926929658.db2.gz MREGILQMPCCFEW-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423046810 926938340 /nfs/dbraw/zinc/93/83/40/926938340.db2.gz QIFYLIOZCNEWAG-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423046810 926938346 /nfs/dbraw/zinc/93/83/46/926938346.db2.gz QIFYLIOZCNEWAG-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001423213133 926972757 /nfs/dbraw/zinc/97/27/57/926972757.db2.gz FTSAEJNSPDOQAC-NSHDSACASA-N 2 1 300.403 -1.197 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001423230174 926986180 /nfs/dbraw/zinc/98/61/80/926986180.db2.gz MJFDBVQZZWHBMV-DGCLKSJQSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001423230174 926986196 /nfs/dbraw/zinc/98/61/96/926986196.db2.gz MJFDBVQZZWHBMV-DGCLKSJQSA-N 2 1 310.402 -1.134 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001423264009 927004827 /nfs/dbraw/zinc/00/48/27/927004827.db2.gz OOHKRMGOQDCECE-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001423264009 927004841 /nfs/dbraw/zinc/00/48/41/927004841.db2.gz OOHKRMGOQDCECE-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001423264014 927006539 /nfs/dbraw/zinc/00/65/39/927006539.db2.gz OOHKRMGOQDCECE-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001423264014 927006554 /nfs/dbraw/zinc/00/65/54/927006554.db2.gz OOHKRMGOQDCECE-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001423282172 927012200 /nfs/dbraw/zinc/01/22/00/927012200.db2.gz JTPFLOXHJOMFAB-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423487769 927075014 /nfs/dbraw/zinc/07/50/14/927075014.db2.gz UZNDJFHIVJWUSR-RYUDHWBXSA-N 2 1 300.403 -1.565 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423489766 927076100 /nfs/dbraw/zinc/07/61/00/927076100.db2.gz YHTPJOSAVPQGAP-AAEUAGOBSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423489766 927076117 /nfs/dbraw/zinc/07/61/17/927076117.db2.gz YHTPJOSAVPQGAP-AAEUAGOBSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423489768 927080226 /nfs/dbraw/zinc/08/02/26/927080226.db2.gz YHTPJOSAVPQGAP-DGCLKSJQSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423489768 927080243 /nfs/dbraw/zinc/08/02/43/927080243.db2.gz YHTPJOSAVPQGAP-DGCLKSJQSA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542445 927090742 /nfs/dbraw/zinc/09/07/42/927090742.db2.gz KAQRNMYAJOUUSJ-RYUDHWBXSA-N 2 1 311.386 -1.231 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541481 927091434 /nfs/dbraw/zinc/09/14/34/927091434.db2.gz DIOZUYRPNLQFKD-NEPJUHHUSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541481 927091447 /nfs/dbraw/zinc/09/14/47/927091447.db2.gz DIOZUYRPNLQFKD-NEPJUHHUSA-N 2 1 300.403 -1.293 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001423640305 927101304 /nfs/dbraw/zinc/10/13/04/927101304.db2.gz FKZYJCBOULTWTI-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001423640305 927101315 /nfs/dbraw/zinc/10/13/15/927101315.db2.gz FKZYJCBOULTWTI-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001423640305 927101324 /nfs/dbraw/zinc/10/13/24/927101324.db2.gz FKZYJCBOULTWTI-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001423640305 927101333 /nfs/dbraw/zinc/10/13/33/927101333.db2.gz FKZYJCBOULTWTI-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423673616 927105008 /nfs/dbraw/zinc/10/50/08/927105008.db2.gz YJMWMNXWZRXFOR-BPCQOVAHSA-N 2 1 312.414 -1.016 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423673616 927105019 /nfs/dbraw/zinc/10/50/19/927105019.db2.gz YJMWMNXWZRXFOR-BPCQOVAHSA-N 2 1 312.414 -1.016 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800582 927133323 /nfs/dbraw/zinc/13/33/23/927133323.db2.gz LILJIQPJUSQOFH-XJKSGUPXSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800582 927133335 /nfs/dbraw/zinc/13/33/35/927133335.db2.gz LILJIQPJUSQOFH-XJKSGUPXSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800582 927133339 /nfs/dbraw/zinc/13/33/39/927133339.db2.gz LILJIQPJUSQOFH-XJKSGUPXSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800582 927133356 /nfs/dbraw/zinc/13/33/56/927133356.db2.gz LILJIQPJUSQOFH-XJKSGUPXSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800578 927133523 /nfs/dbraw/zinc/13/35/23/927133523.db2.gz LILJIQPJUSQOFH-CZUORRHYSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800578 927133530 /nfs/dbraw/zinc/13/35/30/927133530.db2.gz LILJIQPJUSQOFH-CZUORRHYSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800578 927133546 /nfs/dbraw/zinc/13/35/46/927133546.db2.gz LILJIQPJUSQOFH-CZUORRHYSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800578 927133558 /nfs/dbraw/zinc/13/35/58/927133558.db2.gz LILJIQPJUSQOFH-CZUORRHYSA-N 2 1 324.425 -1.277 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423803464 927134146 /nfs/dbraw/zinc/13/41/46/927134146.db2.gz YSDUDKRVFPQRRD-WFASDCNBSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423803464 927134154 /nfs/dbraw/zinc/13/41/54/927134154.db2.gz YSDUDKRVFPQRRD-WFASDCNBSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423803463 927135677 /nfs/dbraw/zinc/13/56/77/927135677.db2.gz YSDUDKRVFPQRRD-SWLSCSKDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001423803463 927135688 /nfs/dbraw/zinc/13/56/88/927135688.db2.gz YSDUDKRVFPQRRD-SWLSCSKDSA-N 2 1 314.430 -1.032 20 0 DAADMP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001424049051 927188867 /nfs/dbraw/zinc/18/88/67/927188867.db2.gz JNDQYBARKHXFLC-STQMWFEESA-N 2 1 312.414 -1.421 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001424244832 927213034 /nfs/dbraw/zinc/21/30/34/927213034.db2.gz VELAQTGKWMTCNS-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001424244814 927213373 /nfs/dbraw/zinc/21/33/73/927213373.db2.gz VELAQTGKWMTCNS-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001424541373 927243165 /nfs/dbraw/zinc/24/31/65/927243165.db2.gz ATLSLJVHJBKILI-NEPJUHHUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)NC(N)=O ZINC001424997080 927271359 /nfs/dbraw/zinc/27/13/59/927271359.db2.gz KFIBSOKITNLVAM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424997080 927271373 /nfs/dbraw/zinc/27/13/73/927271373.db2.gz KFIBSOKITNLVAM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCNS(C)(=O)=O)C1 ZINC001425246118 927293253 /nfs/dbraw/zinc/29/32/53/927293253.db2.gz BPXUWZHACCCJKT-NSHDSACASA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796853 927451337 /nfs/dbraw/zinc/45/13/37/927451337.db2.gz DMKIVLCWOBMKKU-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796853 927451346 /nfs/dbraw/zinc/45/13/46/927451346.db2.gz DMKIVLCWOBMKKU-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001425797452 927453372 /nfs/dbraw/zinc/45/33/72/927453372.db2.gz MHYWJWJVVZQMRM-VXGBXAGGSA-N 2 1 300.403 -1.340 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001425797442 927453969 /nfs/dbraw/zinc/45/39/69/927453969.db2.gz MHYWJWJVVZQMRM-NWDGAFQWSA-N 2 1 300.403 -1.340 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425826877 927466527 /nfs/dbraw/zinc/46/65/27/927466527.db2.gz CRQCWTLOQHCVNK-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001425841472 927473806 /nfs/dbraw/zinc/47/38/06/927473806.db2.gz OQWUQJRZEDRVDE-OCCSQVGLSA-N 2 1 314.430 -1.081 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425848327 927477103 /nfs/dbraw/zinc/47/71/03/927477103.db2.gz ZXTHZRBUTQFEOQ-NEPJUHHUSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425848327 927477106 /nfs/dbraw/zinc/47/71/06/927477106.db2.gz ZXTHZRBUTQFEOQ-NEPJUHHUSA-N 2 1 310.402 -1.184 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[NH+]1CCCC1 ZINC001426046055 927517941 /nfs/dbraw/zinc/51/79/41/927517941.db2.gz BIEWBRSKKHCOKH-GFCCVEGCSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087613 927529068 /nfs/dbraw/zinc/52/90/68/927529068.db2.gz UZXMLGOBANQHTK-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001426674661 927571598 /nfs/dbraw/zinc/57/15/98/927571598.db2.gz DLABUYFKOVLGTF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001428939839 927828965 /nfs/dbraw/zinc/82/89/65/927828965.db2.gz KROXRYZPZFKCMO-AGIUHOORSA-N 2 1 312.414 -1.280 20 0 DAADMP C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001432201928 928113806 /nfs/dbraw/zinc/11/38/06/928113806.db2.gz SZELGIGCGQZYIA-CYBMUJFWSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001432201928 928113812 /nfs/dbraw/zinc/11/38/12/928113812.db2.gz SZELGIGCGQZYIA-CYBMUJFWSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432245638 928121569 /nfs/dbraw/zinc/12/15/69/928121569.db2.gz ULUHXSGPPOJZLH-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432245638 928121574 /nfs/dbraw/zinc/12/15/74/928121574.db2.gz ULUHXSGPPOJZLH-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436383687 928396669 /nfs/dbraw/zinc/39/66/69/928396669.db2.gz RIJVKQIIHCUSAH-SYQHCUMBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436383687 928396682 /nfs/dbraw/zinc/39/66/82/928396682.db2.gz RIJVKQIIHCUSAH-SYQHCUMBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436889271 928416837 /nfs/dbraw/zinc/41/68/37/928416837.db2.gz QYNRJKOLJWWDKD-ZDEQEGDKSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436889271 928416841 /nfs/dbraw/zinc/41/68/41/928416841.db2.gz QYNRJKOLJWWDKD-ZDEQEGDKSA-N 2 1 301.387 -1.439 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259873 928441354 /nfs/dbraw/zinc/44/13/54/928441354.db2.gz LEBANYUIJRDXIN-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259873 928441360 /nfs/dbraw/zinc/44/13/60/928441360.db2.gz LEBANYUIJRDXIN-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001437264638 928441847 /nfs/dbraw/zinc/44/18/47/928441847.db2.gz WZMNAWBJCMYQIS-DTWKUNHWSA-N 2 1 310.358 -1.131 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001437295748 928443788 /nfs/dbraw/zinc/44/37/88/928443788.db2.gz MAOLQHGCVAWVTF-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001437295748 928443796 /nfs/dbraw/zinc/44/37/96/928443796.db2.gz MAOLQHGCVAWVTF-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001437295723 928444212 /nfs/dbraw/zinc/44/42/12/928444212.db2.gz MAOLQHGCVAWVTF-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001437295723 928444223 /nfs/dbraw/zinc/44/42/23/928444223.db2.gz MAOLQHGCVAWVTF-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001437396786 928449733 /nfs/dbraw/zinc/44/97/33/928449733.db2.gz NMFZQXOVMKRWKA-SECBINFHSA-N 2 1 310.358 -1.129 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001437453701 928452519 /nfs/dbraw/zinc/45/25/19/928452519.db2.gz UQXKRPLFJKCSRA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001437453701 928452525 /nfs/dbraw/zinc/45/25/25/928452525.db2.gz UQXKRPLFJKCSRA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001437453701 928452532 /nfs/dbraw/zinc/45/25/32/928452532.db2.gz UQXKRPLFJKCSRA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001437453701 928452538 /nfs/dbraw/zinc/45/25/38/928452538.db2.gz UQXKRPLFJKCSRA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001437461973 928452863 /nfs/dbraw/zinc/45/28/63/928452863.db2.gz FMCLIHYFWWQKOY-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001437461973 928452867 /nfs/dbraw/zinc/45/28/67/928452867.db2.gz FMCLIHYFWWQKOY-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001437461973 928452871 /nfs/dbraw/zinc/45/28/71/928452871.db2.gz FMCLIHYFWWQKOY-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437461973 928452875 /nfs/dbraw/zinc/45/28/75/928452875.db2.gz FMCLIHYFWWQKOY-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001437515936 928458007 /nfs/dbraw/zinc/45/80/07/928458007.db2.gz GFWFSPLTBNVURK-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001437515936 928458014 /nfs/dbraw/zinc/45/80/14/928458014.db2.gz GFWFSPLTBNVURK-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437741099 928476187 /nfs/dbraw/zinc/47/61/87/928476187.db2.gz IKTUHJOUGUBQCF-LLVKDONJSA-N 2 1 311.386 -1.285 20 0 DAADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCOCC1 ZINC001437841211 928481610 /nfs/dbraw/zinc/48/16/10/928481610.db2.gz IZRJABCPBPTGSW-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC(C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001438833224 928537959 /nfs/dbraw/zinc/53/79/59/928537959.db2.gz VSVSAYHEJBFBDT-GFCCVEGCSA-N 2 1 300.403 -1.076 20 0 DAADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001438965447 928547003 /nfs/dbraw/zinc/54/70/03/928547003.db2.gz GMSLARKUCHPPPU-ZIAGYGMSSA-N 2 1 323.397 -1.318 20 0 DAADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001438965447 928547014 /nfs/dbraw/zinc/54/70/14/928547014.db2.gz GMSLARKUCHPPPU-ZIAGYGMSSA-N 2 1 323.397 -1.318 20 0 DAADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001438965446 928547248 /nfs/dbraw/zinc/54/72/48/928547248.db2.gz GMSLARKUCHPPPU-UONOGXRCSA-N 2 1 323.397 -1.318 20 0 DAADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001438965446 928547261 /nfs/dbraw/zinc/54/72/61/928547261.db2.gz GMSLARKUCHPPPU-UONOGXRCSA-N 2 1 323.397 -1.318 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001438989929 928562397 /nfs/dbraw/zinc/56/23/97/928562397.db2.gz JDBZRYHXZWUVOP-KGLIPLIRSA-N 2 1 322.413 -1.276 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)C ZINC001439007137 928571685 /nfs/dbraw/zinc/57/16/85/928571685.db2.gz IGTOJXJVWNYUDO-LBPRGKRZSA-N 2 1 311.386 -1.217 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001439014947 928577892 /nfs/dbraw/zinc/57/78/92/928577892.db2.gz NMMCHTHHKPWEIU-RYUDHWBXSA-N 2 1 311.386 -1.265 20 0 DAADMP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439040768 928588069 /nfs/dbraw/zinc/58/80/69/928588069.db2.gz FEBYUKOEBWCEHJ-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001439040888 928589670 /nfs/dbraw/zinc/58/96/70/928589670.db2.gz FMFOXAIRIMIPIQ-DGCLKSJQSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001439040888 928589683 /nfs/dbraw/zinc/58/96/83/928589683.db2.gz FMFOXAIRIMIPIQ-DGCLKSJQSA-N 2 1 310.402 -1.184 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001439061789 928596623 /nfs/dbraw/zinc/59/66/23/928596623.db2.gz SJKSQOHBHAFTIE-JQWIXIFHSA-N 2 1 311.386 -1.265 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001439624882 928633610 /nfs/dbraw/zinc/63/36/10/928633610.db2.gz CWQQZUDSSGKNNU-UHFFFAOYSA-N 2 1 308.342 -1.375 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001440022333 928670616 /nfs/dbraw/zinc/67/06/16/928670616.db2.gz KBRIERUYZIVCEN-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001440022333 928670623 /nfs/dbraw/zinc/67/06/23/928670623.db2.gz KBRIERUYZIVCEN-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440022333 928670626 /nfs/dbraw/zinc/67/06/26/928670626.db2.gz KBRIERUYZIVCEN-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440022333 928670631 /nfs/dbraw/zinc/67/06/31/928670631.db2.gz KBRIERUYZIVCEN-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001440027196 928673309 /nfs/dbraw/zinc/67/33/09/928673309.db2.gz ZDXHKUCWCFBSBF-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001440027196 928673316 /nfs/dbraw/zinc/67/33/16/928673316.db2.gz ZDXHKUCWCFBSBF-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440027196 928673326 /nfs/dbraw/zinc/67/33/26/928673326.db2.gz ZDXHKUCWCFBSBF-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440027196 928673334 /nfs/dbraw/zinc/67/33/34/928673334.db2.gz ZDXHKUCWCFBSBF-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001441183835 928773366 /nfs/dbraw/zinc/77/33/66/928773366.db2.gz GDEKOPZHCNCDRL-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001441183835 928773373 /nfs/dbraw/zinc/77/33/73/928773373.db2.gz GDEKOPZHCNCDRL-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441319638 928782726 /nfs/dbraw/zinc/78/27/26/928782726.db2.gz KVPOCEZNYLKGDJ-XDQVBPFNSA-N 2 1 324.425 -1.266 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001441360489 928784136 /nfs/dbraw/zinc/78/41/36/928784136.db2.gz GKEUMOHPIRRXNH-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001441360489 928784144 /nfs/dbraw/zinc/78/41/44/928784144.db2.gz GKEUMOHPIRRXNH-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001441360477 928784462 /nfs/dbraw/zinc/78/44/62/928784462.db2.gz GKEUMOHPIRRXNH-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001441360477 928784469 /nfs/dbraw/zinc/78/44/69/928784469.db2.gz GKEUMOHPIRRXNH-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001441384844 928786218 /nfs/dbraw/zinc/78/62/18/928786218.db2.gz GXOUGUFTALFSTP-JHJVBQTASA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001441384844 928786224 /nfs/dbraw/zinc/78/62/24/928786224.db2.gz GXOUGUFTALFSTP-JHJVBQTASA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001441441971 928789086 /nfs/dbraw/zinc/78/90/86/928789086.db2.gz SMFQVLQMXYKJMH-VLEAKVRGSA-N 2 1 311.386 -1.242 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001441626803 928804483 /nfs/dbraw/zinc/80/44/83/928804483.db2.gz OUYZYCULMGAMQD-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441696799 928817915 /nfs/dbraw/zinc/81/79/15/928817915.db2.gz NIGWAWDYPVPQLN-FRRDWIJNSA-N 2 1 314.430 -1.081 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441781950 928863531 /nfs/dbraw/zinc/86/35/31/928863531.db2.gz QCHYZCDJAJJKRP-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001441795144 928865503 /nfs/dbraw/zinc/86/55/03/928865503.db2.gz OBOGEWYVDFBLDN-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793301 928866912 /nfs/dbraw/zinc/86/69/12/928866912.db2.gz UAFJZROZNGKZJN-WDEREUQCSA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793301 928866919 /nfs/dbraw/zinc/86/69/19/928866919.db2.gz UAFJZROZNGKZJN-WDEREUQCSA-N 2 1 307.416 -1.544 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441800042 928870880 /nfs/dbraw/zinc/87/08/80/928870880.db2.gz ROCGOEUJSGNOFQ-UWVGGRQHSA-N 2 1 315.374 -2.540 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441827711 928873597 /nfs/dbraw/zinc/87/35/97/928873597.db2.gz OMSZDNHSQFVYHX-RYUDHWBXSA-N 2 1 300.403 -1.328 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001441995015 928902379 /nfs/dbraw/zinc/90/23/79/928902379.db2.gz KJYSCTPJRVAGOX-WDEREUQCSA-N 2 1 313.406 -1.368 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001441994996 928902924 /nfs/dbraw/zinc/90/29/24/928902924.db2.gz KJYSCTPJRVAGOX-GHMZBOCLSA-N 2 1 313.406 -1.368 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442025908 928907287 /nfs/dbraw/zinc/90/72/87/928907287.db2.gz AZCTYZOVAULXQW-YPMHNXCESA-N 2 1 312.414 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001442027191 928910851 /nfs/dbraw/zinc/91/08/51/928910851.db2.gz CWJOYRHCECORLA-NEPJUHHUSA-N 2 1 309.370 -1.511 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001442026540 928910917 /nfs/dbraw/zinc/91/09/17/928910917.db2.gz UYBPDQYODFTNQF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442026903 928911816 /nfs/dbraw/zinc/91/18/16/928911816.db2.gz DJXGRGJHMVGCMS-ZJUUUORDSA-N 2 1 315.374 -2.458 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001442035314 928912705 /nfs/dbraw/zinc/91/27/05/928912705.db2.gz QYLCJQUINFNKPG-WDEREUQCSA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442035314 928912712 /nfs/dbraw/zinc/91/27/12/928912712.db2.gz QYLCJQUINFNKPG-WDEREUQCSA-N 2 1 311.390 -1.929 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001442120095 928931177 /nfs/dbraw/zinc/93/11/77/928931177.db2.gz GUNPGETZXPVORO-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442577943 928954364 /nfs/dbraw/zinc/95/43/64/928954364.db2.gz RMELJAGEGITNBD-UHFFFAOYSA-N 2 1 311.386 -1.414 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442577943 928954371 /nfs/dbraw/zinc/95/43/71/928954371.db2.gz RMELJAGEGITNBD-UHFFFAOYSA-N 2 1 311.386 -1.414 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444125875 929065541 /nfs/dbraw/zinc/06/55/41/929065541.db2.gz PCCVYFQCFGOETF-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001444194477 929081920 /nfs/dbraw/zinc/08/19/20/929081920.db2.gz NQOQHVPCJSTDGW-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444369090 929117732 /nfs/dbraw/zinc/11/77/32/929117732.db2.gz WRKMOUXOKUNULF-JTQLQIEISA-N 2 1 324.385 -1.011 20 0 DAADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001444391554 929120735 /nfs/dbraw/zinc/12/07/35/929120735.db2.gz QYQVKIIJMKSKEV-QWRGUYRKSA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444727645 929149850 /nfs/dbraw/zinc/14/98/50/929149850.db2.gz NPGHQYCGSDTFEW-WDEREUQCSA-N 2 1 310.402 -1.003 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149679 929168262 /nfs/dbraw/zinc/16/82/62/929168262.db2.gz CTDGNNOOKIHNOV-ZIAGYGMSSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149679 929168271 /nfs/dbraw/zinc/16/82/71/929168271.db2.gz CTDGNNOOKIHNOV-ZIAGYGMSSA-N 2 1 308.382 -1.021 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445206923 929185341 /nfs/dbraw/zinc/18/53/41/929185341.db2.gz JQYCYKQGIYJDKE-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445216642 929189392 /nfs/dbraw/zinc/18/93/92/929189392.db2.gz VEZBZUTYGHOJMP-STQMWFEESA-N 2 1 310.402 -1.134 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001445226668 929193651 /nfs/dbraw/zinc/19/36/51/929193651.db2.gz BXLOYPZZMWVPDK-YPMHNXCESA-N 2 1 323.397 -1.433 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445246360 929198675 /nfs/dbraw/zinc/19/86/75/929198675.db2.gz FWEYRCHWENGNBF-NEPJUHHUSA-N 2 1 323.397 -1.038 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001445264876 929204390 /nfs/dbraw/zinc/20/43/90/929204390.db2.gz GHQVEZGHDLIYMK-NEPJUHHUSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001445267187 929205573 /nfs/dbraw/zinc/20/55/73/929205573.db2.gz ISKIWPYWTHLXJU-UONOGXRCSA-N 2 1 322.409 -1.096 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445267524 929206446 /nfs/dbraw/zinc/20/64/46/929206446.db2.gz ANRRGWNRCZJQGY-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445267524 929206455 /nfs/dbraw/zinc/20/64/55/929206455.db2.gz ANRRGWNRCZJQGY-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001445272305 929210634 /nfs/dbraw/zinc/21/06/34/929210634.db2.gz OVFHOMNUDICROL-NWDGAFQWSA-N 2 1 309.370 -1.463 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001445493171 929226886 /nfs/dbraw/zinc/22/68/86/929226886.db2.gz ATKMVARVCRTQGU-UPJWGTAASA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001445493171 929226900 /nfs/dbraw/zinc/22/69/00/929226900.db2.gz ATKMVARVCRTQGU-UPJWGTAASA-N 2 1 303.403 -1.191 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001445527251 929234133 /nfs/dbraw/zinc/23/41/33/929234133.db2.gz GIZJTCVHFKCHPY-JHJVBQTASA-N 2 1 312.414 -1.422 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001445623335 929241063 /nfs/dbraw/zinc/24/10/63/929241063.db2.gz COPXISAICBDLPA-JTQLQIEISA-N 2 1 315.374 -2.002 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001445664623 929249743 /nfs/dbraw/zinc/24/97/43/929249743.db2.gz IEORSROKTULCLD-OLZOCXBDSA-N 2 1 323.397 -1.169 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001446147833 929276641 /nfs/dbraw/zinc/27/66/41/929276641.db2.gz DWLIZNGAALETGS-NEPJUHHUSA-N 2 1 301.387 -1.437 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001446147833 929276652 /nfs/dbraw/zinc/27/66/52/929276652.db2.gz DWLIZNGAALETGS-NEPJUHHUSA-N 2 1 301.387 -1.437 20 0 DAADMP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446551160 929299163 /nfs/dbraw/zinc/29/91/63/929299163.db2.gz OKPSVLVMPMZAIG-AWEZNQCLSA-N 2 1 323.397 -1.142 20 0 DAADMP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446551160 929299172 /nfs/dbraw/zinc/29/91/72/929299172.db2.gz OKPSVLVMPMZAIG-AWEZNQCLSA-N 2 1 323.397 -1.142 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001446784036 929325065 /nfs/dbraw/zinc/32/50/65/929325065.db2.gz QFTHVCACDFVUJX-OAHLLOKOSA-N 2 1 315.414 -1.356 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001446784036 929325088 /nfs/dbraw/zinc/32/50/88/929325088.db2.gz QFTHVCACDFVUJX-OAHLLOKOSA-N 2 1 315.414 -1.356 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001447046818 929365763 /nfs/dbraw/zinc/36/57/63/929365763.db2.gz BATMNBYHOLAIPR-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001447056643 929368293 /nfs/dbraw/zinc/36/82/93/929368293.db2.gz BXLGRICHUMTOEG-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001447789010 929412416 /nfs/dbraw/zinc/41/24/16/929412416.db2.gz WBPLEQHLICNAHE-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001447789010 929412421 /nfs/dbraw/zinc/41/24/21/929412421.db2.gz WBPLEQHLICNAHE-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001448442349 929452997 /nfs/dbraw/zinc/45/29/97/929452997.db2.gz UIRKMSLTLHJDFW-WISYIIOYSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001448442349 929453001 /nfs/dbraw/zinc/45/30/01/929453001.db2.gz UIRKMSLTLHJDFW-WISYIIOYSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001448442349 929453007 /nfs/dbraw/zinc/45/30/07/929453007.db2.gz UIRKMSLTLHJDFW-WISYIIOYSA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448446556 929453198 /nfs/dbraw/zinc/45/31/98/929453198.db2.gz HYHKEXNMYXTQTJ-XDQVBPFNSA-N 2 1 324.425 -1.124 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448446556 929453200 /nfs/dbraw/zinc/45/32/00/929453200.db2.gz HYHKEXNMYXTQTJ-XDQVBPFNSA-N 2 1 324.425 -1.124 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448792718 929471879 /nfs/dbraw/zinc/47/18/79/929471879.db2.gz VRNWIIOBBPAIOM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001448867244 929499822 /nfs/dbraw/zinc/49/98/22/929499822.db2.gz HRDYERAYVZXQIT-VXGBXAGGSA-N 2 1 309.370 -1.511 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915298 929514008 /nfs/dbraw/zinc/51/40/08/929514008.db2.gz YRMUSBVHMSVMDL-NXEZZACHSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915298 929514013 /nfs/dbraw/zinc/51/40/13/929514013.db2.gz YRMUSBVHMSVMDL-NXEZZACHSA-N 2 1 315.374 -2.410 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001448914176 929514803 /nfs/dbraw/zinc/51/48/03/929514803.db2.gz WXIUHPFOSCFVAZ-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001448914176 929514809 /nfs/dbraw/zinc/51/48/09/929514809.db2.gz WXIUHPFOSCFVAZ-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915321 929515007 /nfs/dbraw/zinc/51/50/07/929515007.db2.gz YRMUSBVHMSVMDL-ZJUUUORDSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915321 929515013 /nfs/dbraw/zinc/51/50/13/929515013.db2.gz YRMUSBVHMSVMDL-ZJUUUORDSA-N 2 1 315.374 -2.410 20 0 DAADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001448944572 929523805 /nfs/dbraw/zinc/52/38/05/929523805.db2.gz IQGRZSWJJNDNND-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001448944572 929523807 /nfs/dbraw/zinc/52/38/07/929523807.db2.gz IQGRZSWJJNDNND-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001448951570 929524859 /nfs/dbraw/zinc/52/48/59/929524859.db2.gz JTFHFVXWJCGZML-JQWIXIFHSA-N 2 1 311.386 -1.265 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001448957429 929527419 /nfs/dbraw/zinc/52/74/19/929527419.db2.gz RXDHMHNVAHARIR-LBPRGKRZSA-N 2 1 307.358 -1.450 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001449149738 929553601 /nfs/dbraw/zinc/55/36/01/929553601.db2.gz POEDKYPSTWKWCO-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001449155415 929555977 /nfs/dbraw/zinc/55/59/77/929555977.db2.gz DUFJZMZUJQZFGP-GFCCVEGCSA-N 2 1 322.413 -1.180 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001449166360 929557729 /nfs/dbraw/zinc/55/77/29/929557729.db2.gz WFYMQOCIQMTUBA-CYBMUJFWSA-N 2 1 322.413 -1.180 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001449166361 929559004 /nfs/dbraw/zinc/55/90/04/929559004.db2.gz WFYMQOCIQMTUBA-ZDUSSCGKSA-N 2 1 322.413 -1.180 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCO)C1 ZINC001449238343 929573534 /nfs/dbraw/zinc/57/35/34/929573534.db2.gz WVEQAFIOSUSGAT-KGLIPLIRSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCO)C1 ZINC001449238343 929573542 /nfs/dbraw/zinc/57/35/42/929573542.db2.gz WVEQAFIOSUSGAT-KGLIPLIRSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)C1 ZINC001449238343 929573555 /nfs/dbraw/zinc/57/35/55/929573555.db2.gz WVEQAFIOSUSGAT-KGLIPLIRSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238343 929573559 /nfs/dbraw/zinc/57/35/59/929573559.db2.gz WVEQAFIOSUSGAT-KGLIPLIRSA-N 2 1 317.430 -1.159 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001521504477 929663546 /nfs/dbraw/zinc/66/35/46/929663546.db2.gz VAMNSDODQCNPNO-QWHCGFSZSA-N 2 1 311.430 -1.454 20 0 DAADMP CC[N@H+](C)CCC(=O)NCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001522567684 929682295 /nfs/dbraw/zinc/68/22/95/929682295.db2.gz ACHHASHWAUFVOB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001522567684 929682299 /nfs/dbraw/zinc/68/22/99/929682299.db2.gz ACHHASHWAUFVOB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522567684 929682303 /nfs/dbraw/zinc/68/23/03/929682303.db2.gz ACHHASHWAUFVOB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522567684 929682317 /nfs/dbraw/zinc/68/23/17/929682317.db2.gz ACHHASHWAUFVOB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522570605 929682853 /nfs/dbraw/zinc/68/28/53/929682853.db2.gz YWSHQVCWOXFZQI-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522570605 929682858 /nfs/dbraw/zinc/68/28/58/929682858.db2.gz YWSHQVCWOXFZQI-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001522872286 929710326 /nfs/dbraw/zinc/71/03/26/929710326.db2.gz XFKIMFMEFRDCND-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001522872286 929710338 /nfs/dbraw/zinc/71/03/38/929710338.db2.gz XFKIMFMEFRDCND-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001522872286 929710349 /nfs/dbraw/zinc/71/03/49/929710349.db2.gz XFKIMFMEFRDCND-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001522872286 929710359 /nfs/dbraw/zinc/71/03/59/929710359.db2.gz XFKIMFMEFRDCND-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001528007698 929790612 /nfs/dbraw/zinc/79/06/12/929790612.db2.gz ULRRZCQTIRMJHW-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001528007698 929790615 /nfs/dbraw/zinc/79/06/15/929790615.db2.gz ULRRZCQTIRMJHW-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001528007698 929790621 /nfs/dbraw/zinc/79/06/21/929790621.db2.gz ULRRZCQTIRMJHW-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528007698 929790627 /nfs/dbraw/zinc/79/06/27/929790627.db2.gz ULRRZCQTIRMJHW-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548572863 930031288 /nfs/dbraw/zinc/03/12/88/930031288.db2.gz RBNPFFCGXWVFPM-FQUUOJAGSA-N 2 1 324.425 -1.232 20 0 DAADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548572865 930031549 /nfs/dbraw/zinc/03/15/49/930031549.db2.gz RBNPFFCGXWVFPM-SYQHCUMBSA-N 2 1 324.425 -1.232 20 0 DAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548557006 930032083 /nfs/dbraw/zinc/03/20/83/930032083.db2.gz IVDPTAVMVXJSKV-UPJWGTAASA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548724599 930039339 /nfs/dbraw/zinc/03/93/39/930039339.db2.gz QHROGHMQMOSPSL-MCIONIFRSA-N 2 1 323.441 -1.047 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC001548700839 930039428 /nfs/dbraw/zinc/03/94/28/930039428.db2.gz DQWFYGLKMJVAOG-KFWWJZLASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001548700839 930039442 /nfs/dbraw/zinc/03/94/42/930039442.db2.gz DQWFYGLKMJVAOG-KFWWJZLASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC001548700839 930039453 /nfs/dbraw/zinc/03/94/53/930039453.db2.gz DQWFYGLKMJVAOG-KFWWJZLASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548724603 930039576 /nfs/dbraw/zinc/03/95/76/930039576.db2.gz QHROGHMQMOSPSL-RDBSUJKOSA-N 2 1 323.441 -1.047 20 0 DAADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC(=O)N1C ZINC001549043950 930047779 /nfs/dbraw/zinc/04/77/79/930047779.db2.gz SHBDNRWFTPFOCW-NHYWBVRUSA-N 2 1 320.397 -1.287 20 0 DAADMP CN1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC001550115549 930063504 /nfs/dbraw/zinc/06/35/04/930063504.db2.gz BETCWOFXGDTPLE-UONOGXRCSA-N 2 1 323.441 -1.297 20 0 DAADMP CNC(=O)[C@]12C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2 ZINC001551412278 930066925 /nfs/dbraw/zinc/06/69/25/930066925.db2.gz UUZPEMRMRNMRLO-XJKSGUPXSA-N 2 1 324.425 -1.107 20 0 DAADMP CNC(=O)[C@]12C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2 ZINC001551410449 930067752 /nfs/dbraw/zinc/06/77/52/930067752.db2.gz QFDNNLBDFOADCZ-SWLSCSKDSA-N 2 1 310.398 -1.497 20 0 DAADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC001552086642 930069834 /nfs/dbraw/zinc/06/98/34/930069834.db2.gz OLGAJYQJGIXKGK-WCQYABFASA-N 2 1 308.386 -1.246 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199462 930071191 /nfs/dbraw/zinc/07/11/91/930071191.db2.gz CDVAZKZKJNLETM-ABAIWWIYSA-N 2 1 310.398 -1.451 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201030 930071460 /nfs/dbraw/zinc/07/14/60/930071460.db2.gz KDHCFZVHLSJZSY-MLGOLLRUSA-N 2 1 324.425 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553354389 930073939 /nfs/dbraw/zinc/07/39/39/930073939.db2.gz QPPJEARNQXLNAN-ZBFHGGJFSA-N 3 1 309.458 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553354389 930073950 /nfs/dbraw/zinc/07/39/50/930073950.db2.gz QPPJEARNQXLNAN-ZBFHGGJFSA-N 3 1 309.458 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553354131 930074721 /nfs/dbraw/zinc/07/47/21/930074721.db2.gz QPPJEARNQXLNAN-GOEBONIOSA-N 3 1 309.458 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553354131 930074731 /nfs/dbraw/zinc/07/47/31/930074731.db2.gz QPPJEARNQXLNAN-GOEBONIOSA-N 3 1 309.458 -1.109 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553387628 930074785 /nfs/dbraw/zinc/07/47/85/930074785.db2.gz RNIHUASPFSMFKT-CJNGLKHVSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553387628 930074788 /nfs/dbraw/zinc/07/47/88/930074788.db2.gz RNIHUASPFSMFKT-CJNGLKHVSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553387630 930075381 /nfs/dbraw/zinc/07/53/81/930075381.db2.gz RNIHUASPFSMFKT-XJKSGUPXSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553387630 930075390 /nfs/dbraw/zinc/07/53/90/930075390.db2.gz RNIHUASPFSMFKT-XJKSGUPXSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)CC1 ZINC001553387629 930075436 /nfs/dbraw/zinc/07/54/36/930075436.db2.gz RNIHUASPFSMFKT-CZUORRHYSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)CC1 ZINC001553387629 930075445 /nfs/dbraw/zinc/07/54/45/930075445.db2.gz RNIHUASPFSMFKT-CZUORRHYSA-N 2 1 324.425 -1.155 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412564 930076735 /nfs/dbraw/zinc/07/67/35/930076735.db2.gz VEMGDQVLXMBGQU-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000358070118 545739535 /nfs/dbraw/zinc/73/95/35/545739535.db2.gz UKXNOCBRWLKXKS-DOMZBBRYSA-N 2 1 312.414 -1.421 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419283609 545765979 /nfs/dbraw/zinc/76/59/79/545765979.db2.gz JSLFPWPCRCASFI-UHFFFAOYSA-N 2 1 313.446 -1.144 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000418925994 545765472 /nfs/dbraw/zinc/76/54/72/545765472.db2.gz QZQQQHLSNPAIGG-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418914481 545765909 /nfs/dbraw/zinc/76/59/09/545765909.db2.gz FSUYFIDPNTXOPK-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP [NH3+]C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000424043024 545774592 /nfs/dbraw/zinc/77/45/92/545774592.db2.gz QIEMUFQUBKIBQZ-UHFFFAOYSA-N 2 1 302.400 -1.686 20 0 DAADMP CC(C)[C@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040984 545774674 /nfs/dbraw/zinc/77/46/74/545774674.db2.gz MUJBYYPEXLVRRF-LBPRGKRZSA-N 2 1 318.443 -1.337 20 0 DAADMP O=C(C[NH2+]CC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424045000 545776027 /nfs/dbraw/zinc/77/60/27/545776027.db2.gz SLCPXCZRMQQZFI-UHFFFAOYSA-N 2 1 316.427 -1.568 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1CCO ZINC000643580948 372769604 /nfs/dbraw/zinc/76/96/04/372769604.db2.gz APHWSXDGXHHWDP-UHFFFAOYSA-N 2 1 312.414 -1.277 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1CCO ZINC000643580948 372769613 /nfs/dbraw/zinc/76/96/13/372769613.db2.gz APHWSXDGXHHWDP-UHFFFAOYSA-N 2 1 312.414 -1.277 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C[NH3+])C1 ZINC000643577003 372769809 /nfs/dbraw/zinc/76/98/09/372769809.db2.gz YHYXBQCEQHECIQ-CQSZACIVSA-N 2 1 323.441 -1.216 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[N@H+]1CCO ZINC000643593922 372771234 /nfs/dbraw/zinc/77/12/34/372771234.db2.gz HXBYIUAULVWAJY-RQJABVFESA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[N@@H+]1CCO ZINC000643593922 372771236 /nfs/dbraw/zinc/77/12/36/372771236.db2.gz HXBYIUAULVWAJY-RQJABVFESA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643592613 372771871 /nfs/dbraw/zinc/77/18/71/372771871.db2.gz IXHXPFNHZOJNRW-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643592613 372771879 /nfs/dbraw/zinc/77/18/79/372771879.db2.gz IXHXPFNHZOJNRW-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565480610 372797120 /nfs/dbraw/zinc/79/71/20/372797120.db2.gz GMOQONSJWCUIKD-WDEREUQCSA-N 2 1 307.350 -1.187 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627355369 372842743 /nfs/dbraw/zinc/84/27/43/372842743.db2.gz FGXYHTDDGUHLCJ-VXGBXAGGSA-N 2 1 316.402 -1.697 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627355369 372842744 /nfs/dbraw/zinc/84/27/44/372842744.db2.gz FGXYHTDDGUHLCJ-VXGBXAGGSA-N 2 1 316.402 -1.697 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355808 372846244 /nfs/dbraw/zinc/84/62/44/372846244.db2.gz PZAMEFNWWQIRQA-NWDGAFQWSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355808 372846255 /nfs/dbraw/zinc/84/62/55/372846255.db2.gz PZAMEFNWWQIRQA-NWDGAFQWSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355810 372847226 /nfs/dbraw/zinc/84/72/26/372847226.db2.gz PZAMEFNWWQIRQA-VXGBXAGGSA-N 2 1 316.402 -1.826 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355810 372847230 /nfs/dbraw/zinc/84/72/30/372847230.db2.gz PZAMEFNWWQIRQA-VXGBXAGGSA-N 2 1 316.402 -1.826 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H](C[NH3+])C1 ZINC000583434836 372866507 /nfs/dbraw/zinc/86/65/07/372866507.db2.gz FSPMACRUXZSQOI-XJKSGUPXSA-N 2 1 323.441 -1.358 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000642907776 372859243 /nfs/dbraw/zinc/85/92/43/372859243.db2.gz HIUMLEFZAQXHCI-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000642907776 372859247 /nfs/dbraw/zinc/85/92/47/372859247.db2.gz HIUMLEFZAQXHCI-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000642907777 372859462 /nfs/dbraw/zinc/85/94/62/372859462.db2.gz HIUMLEFZAQXHCI-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000642907777 372859468 /nfs/dbraw/zinc/85/94/68/372859468.db2.gz HIUMLEFZAQXHCI-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000642907778 372859703 /nfs/dbraw/zinc/85/97/03/372859703.db2.gz HIUMLEFZAQXHCI-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000642907778 372859710 /nfs/dbraw/zinc/85/97/10/372859710.db2.gz HIUMLEFZAQXHCI-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000580096236 372924275 /nfs/dbraw/zinc/92/42/75/372924275.db2.gz YLAQUOKWUULCSX-GHMZBOCLSA-N 2 1 323.397 -1.049 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000580096236 372924280 /nfs/dbraw/zinc/92/42/80/372924280.db2.gz YLAQUOKWUULCSX-GHMZBOCLSA-N 2 1 323.397 -1.049 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317087094 373085762 /nfs/dbraw/zinc/08/57/62/373085762.db2.gz PATUVPRFILJBLP-MNOVXSKESA-N 2 1 311.386 -1.239 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317087094 373085763 /nfs/dbraw/zinc/08/57/63/373085763.db2.gz PATUVPRFILJBLP-MNOVXSKESA-N 2 1 311.386 -1.239 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000565432618 373125952 /nfs/dbraw/zinc/12/59/52/373125952.db2.gz VXQVRUVQFYJHKV-UHFFFAOYSA-N 2 1 313.446 -1.064 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000263260510 373144033 /nfs/dbraw/zinc/14/40/33/373144033.db2.gz SIPMLFTVYXEXHV-BZPMIXESSA-N 2 1 314.430 -1.001 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263254982 373145246 /nfs/dbraw/zinc/14/52/46/373145246.db2.gz QKBUVBMFDGUJEJ-YPMHNXCESA-N 2 1 300.403 -1.077 20 0 DAADMP O[C@@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628859 373189365 /nfs/dbraw/zinc/18/93/65/373189365.db2.gz GHISCPQVHGOBRV-YHUYYLMFSA-N 2 1 308.378 -1.239 20 0 DAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000633116139 373314493 /nfs/dbraw/zinc/31/44/93/373314493.db2.gz PJSFCIQJSHOKAC-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419355013 373319529 /nfs/dbraw/zinc/31/95/29/373319529.db2.gz LRCLVYCYACUQLA-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567111345 373319810 /nfs/dbraw/zinc/31/98/10/373319810.db2.gz WNTUUNLPJXJSSM-NSHDSACASA-N 2 1 314.386 -1.547 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419448975 373321226 /nfs/dbraw/zinc/32/12/26/373321226.db2.gz JOOPQKMDWDESGL-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419872614 373324012 /nfs/dbraw/zinc/32/40/12/373324012.db2.gz QXHXASQOVKYMFY-UHFFFAOYSA-N 2 1 323.441 -1.438 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877790 373324474 /nfs/dbraw/zinc/32/44/74/373324474.db2.gz IQJQMPYXIGIJIL-NWDGAFQWSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877790 373324478 /nfs/dbraw/zinc/32/44/78/373324478.db2.gz IQJQMPYXIGIJIL-NWDGAFQWSA-N 2 1 312.414 -1.232 20 0 DAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000628584846 373374684 /nfs/dbraw/zinc/37/46/84/373374684.db2.gz MATXCLKJRLTJLO-UONOGXRCSA-N 2 1 323.441 -1.168 20 0 DAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628584846 373374690 /nfs/dbraw/zinc/37/46/90/373374690.db2.gz MATXCLKJRLTJLO-UONOGXRCSA-N 2 1 323.441 -1.168 20 0 DAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628584846 373374698 /nfs/dbraw/zinc/37/46/98/373374698.db2.gz MATXCLKJRLTJLO-UONOGXRCSA-N 2 1 323.441 -1.168 20 0 DAADMP CC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000424036395 373348941 /nfs/dbraw/zinc/34/89/41/373348941.db2.gz DWZYLZZNVYOHQB-UHFFFAOYSA-N 2 1 302.400 -1.958 20 0 DAADMP CCC[N@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424044446 373349292 /nfs/dbraw/zinc/34/92/92/373349292.db2.gz RUDCXDZJGDLOBL-UHFFFAOYSA-N 2 1 318.443 -1.226 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424044446 373349305 /nfs/dbraw/zinc/34/93/05/373349305.db2.gz RUDCXDZJGDLOBL-UHFFFAOYSA-N 2 1 318.443 -1.226 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000626933784 373370212 /nfs/dbraw/zinc/37/02/12/373370212.db2.gz OLXSWWQVBIXHIL-LBPRGKRZSA-N 2 1 313.402 -1.562 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000629801414 373405648 /nfs/dbraw/zinc/40/56/48/373405648.db2.gz LYTYETYPVIIINL-ZDUSSCGKSA-N 2 1 312.414 -1.026 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000629812297 373411707 /nfs/dbraw/zinc/41/17/07/373411707.db2.gz PEHXUAJAURZFCU-UHFFFAOYSA-N 2 1 300.403 -1.291 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000629812297 373411717 /nfs/dbraw/zinc/41/17/17/373411717.db2.gz PEHXUAJAURZFCU-UHFFFAOYSA-N 2 1 300.403 -1.291 20 0 DAADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817196 373413781 /nfs/dbraw/zinc/41/37/81/373413781.db2.gz ZXTKLBMTVDPAKU-BFHYXJOUSA-N 2 1 324.425 -1.280 20 0 DAADMP COCC[NH2+]CCc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837122 373419919 /nfs/dbraw/zinc/41/99/19/373419919.db2.gz MFMJTDVVEPIPAP-UHFFFAOYSA-N 2 1 310.402 -1.169 20 0 DAADMP NS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641797267 373427031 /nfs/dbraw/zinc/42/70/31/373427031.db2.gz ZVMMZQOPOPZSPS-LBPRGKRZSA-N 2 1 318.443 -1.191 20 0 DAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000629569156 373397806 /nfs/dbraw/zinc/39/78/06/373397806.db2.gz OIXBNCVBFIGYOK-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000629569156 373397817 /nfs/dbraw/zinc/39/78/17/373397817.db2.gz OIXBNCVBFIGYOK-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576639 373399642 /nfs/dbraw/zinc/39/96/42/373399642.db2.gz VKOYATNVLCPIGA-GFCCVEGCSA-N 2 1 308.448 -1.135 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642222690 373440024 /nfs/dbraw/zinc/44/00/24/373440024.db2.gz VZJKANLVHYZVSS-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238063 373521407 /nfs/dbraw/zinc/52/14/07/373521407.db2.gz FMFUVVYNFSHBRI-BFHYXJOUSA-N 2 1 323.441 -1.217 20 0 DAADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238090 373522176 /nfs/dbraw/zinc/52/21/76/373522176.db2.gz FMFUVVYNFSHBRI-MELADBBJSA-N 2 1 323.441 -1.217 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000579091448 373587609 /nfs/dbraw/zinc/58/76/09/373587609.db2.gz VQCOYLIIHAFZDI-IHRRRGAJSA-N 2 1 313.446 -1.014 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCO1 ZINC000573711576 373556296 /nfs/dbraw/zinc/55/62/96/373556296.db2.gz OZJJHGQBYWLAIR-CYBMUJFWSA-N 2 1 310.398 -1.131 20 0 DAADMP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1C[NH2+]C1 ZINC000575747198 373564761 /nfs/dbraw/zinc/56/47/61/373564761.db2.gz FBZVPJFNGYXONX-JTQLQIEISA-N 2 1 316.427 -1.712 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002594 373567364 /nfs/dbraw/zinc/56/73/64/373567364.db2.gz ZQWNEJAPIVADLA-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002594 373567375 /nfs/dbraw/zinc/56/73/75/373567375.db2.gz ZQWNEJAPIVADLA-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000580541601 373570632 /nfs/dbraw/zinc/57/06/32/373570632.db2.gz OTRJQJSDHOBDJW-ZDUSSCGKSA-N 2 1 311.430 -1.360 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577208871 373574154 /nfs/dbraw/zinc/57/41/54/373574154.db2.gz PIXGXNMWVBFHPE-XBFCOCLRSA-N 2 1 323.441 -1.313 20 0 DAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313796 373646843 /nfs/dbraw/zinc/64/68/43/373646843.db2.gz MVZQYYQAEFHURS-CHWSQXEVSA-N 2 1 323.441 -1.251 20 0 DAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313796 373646850 /nfs/dbraw/zinc/64/68/50/373646850.db2.gz MVZQYYQAEFHURS-CHWSQXEVSA-N 2 1 323.441 -1.251 20 0 DAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCOCC1 ZINC000627346613 373653982 /nfs/dbraw/zinc/65/39/82/373653982.db2.gz YAVKIKZRUNWMCF-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627352902 373655530 /nfs/dbraw/zinc/65/55/30/373655530.db2.gz LXYRDCJLLXFAMY-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000581653034 373601893 /nfs/dbraw/zinc/60/18/93/373601893.db2.gz CKUMHGCBVFAIHP-BFHYXJOUSA-N 2 1 324.425 -1.062 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000627349166 373656066 /nfs/dbraw/zinc/65/60/66/373656066.db2.gz FGNKRGVBPFJLPP-IJLUTSLNSA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627356063 373670564 /nfs/dbraw/zinc/67/05/64/373670564.db2.gz XRSKQDZPYYZIHJ-RYUDHWBXSA-N 2 1 316.402 -1.745 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627356063 373670571 /nfs/dbraw/zinc/67/05/71/373670571.db2.gz XRSKQDZPYYZIHJ-RYUDHWBXSA-N 2 1 316.402 -1.745 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380814 373671168 /nfs/dbraw/zinc/67/11/68/373671168.db2.gz ZLTIHCKXVLWJBQ-CHWSQXEVSA-N 2 1 310.398 -1.309 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1 ZINC000627428601 373675657 /nfs/dbraw/zinc/67/56/57/373675657.db2.gz JLZSZCWVZPINGD-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627461360 373677553 /nfs/dbraw/zinc/67/75/53/373677553.db2.gz NJLHVHDJRFEADJ-NWDGAFQWSA-N 2 1 314.386 -2.384 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000627462808 373677708 /nfs/dbraw/zinc/67/77/08/373677708.db2.gz DQKWXQDACBQUKI-UHFFFAOYSA-N 2 1 318.443 -1.496 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000627464022 373679162 /nfs/dbraw/zinc/67/91/62/373679162.db2.gz PDKMLFPQNIZJHE-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470475 373681555 /nfs/dbraw/zinc/68/15/55/373681555.db2.gz STSVUYKEGFHSFI-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627504370 373688919 /nfs/dbraw/zinc/68/89/19/373688919.db2.gz KTYJMACHAKPSNA-KGLIPLIRSA-N 2 1 323.441 -1.297 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000627506076 373689220 /nfs/dbraw/zinc/68/92/20/373689220.db2.gz XSJNJIAVRCUEMN-GFCCVEGCSA-N 2 1 310.398 -1.212 20 0 DAADMP C[NH+](C)C1(CS(=O)(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000631901594 373699193 /nfs/dbraw/zinc/69/91/93/373699193.db2.gz ITXSSNUYDDLUEL-UHFFFAOYSA-N 2 1 304.416 -1.568 20 0 DAADMP COCCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631923558 373701789 /nfs/dbraw/zinc/70/17/89/373701789.db2.gz VZOQWMAGZPICHK-LBPRGKRZSA-N 2 1 309.432 -1.138 20 0 DAADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095368 373728312 /nfs/dbraw/zinc/72/83/12/373728312.db2.gz SORXOSQDIXYHGU-JSGCOSHPSA-N 2 1 322.409 -1.118 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)[N@H+]1CCO ZINC000633113095 373730710 /nfs/dbraw/zinc/73/07/10/373730710.db2.gz CFKGYDFRJSLUHF-RNJOBUHISA-N 2 1 310.398 -1.527 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)[N@@H+]1CCO ZINC000633113095 373730720 /nfs/dbraw/zinc/73/07/20/373730720.db2.gz CFKGYDFRJSLUHF-RNJOBUHISA-N 2 1 310.398 -1.527 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000633146650 373731340 /nfs/dbraw/zinc/73/13/40/373731340.db2.gz PSGZFGJEXAYETI-NDBYEHHHSA-N 2 1 312.414 -1.152 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000633146650 373731346 /nfs/dbraw/zinc/73/13/46/373731346.db2.gz PSGZFGJEXAYETI-NDBYEHHHSA-N 2 1 312.414 -1.152 20 0 DAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353639134 132151129 /nfs/dbraw/zinc/15/11/29/132151129.db2.gz MUJFAYMGACWZHS-LLVKDONJSA-N 2 1 313.402 -1.798 20 0 DAADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025065 545811173 /nfs/dbraw/zinc/81/11/73/545811173.db2.gz WZBIVXJBUJMIBT-NWDGAFQWSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656305032 545819202 /nfs/dbraw/zinc/81/92/02/545819202.db2.gz NNIYTTCHZRLXDQ-RWMBFGLXSA-N 2 1 312.414 -1.280 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380816 545829378 /nfs/dbraw/zinc/82/93/78/545829378.db2.gz ZLTIHCKXVLWJBQ-QWHCGFSZSA-N 2 1 310.398 -1.309 20 0 DAADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463801 782004279 /nfs/dbraw/zinc/00/42/79/782004279.db2.gz YNEQLODIEDKJBP-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463801 782004271 /nfs/dbraw/zinc/00/42/71/782004271.db2.gz YNEQLODIEDKJBP-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469447 782005878 /nfs/dbraw/zinc/00/58/78/782005878.db2.gz QBAMSVCEGGDPQG-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469447 782005888 /nfs/dbraw/zinc/00/58/88/782005888.db2.gz QBAMSVCEGGDPQG-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)c1 ZINC000269659028 286524202 /nfs/dbraw/zinc/52/42/02/286524202.db2.gz FXYWFLCCXHVQCB-LLVKDONJSA-N 2 1 307.354 -1.059 20 0 DAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114776 409328963 /nfs/dbraw/zinc/32/89/63/409328963.db2.gz WGLFCCFVSOAYFE-WWGRRREGSA-N 2 1 324.425 -1.074 20 0 DAADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178307 409342822 /nfs/dbraw/zinc/34/28/22/409342822.db2.gz OSLMYXOULZBCBJ-JLLWLGSASA-N 2 1 314.411 -1.817 20 0 DAADMP CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000647891557 409401565 /nfs/dbraw/zinc/40/15/65/409401565.db2.gz PVUGWONISFOYJK-LBPRGKRZSA-N 2 1 323.397 -1.223 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000652734543 409407699 /nfs/dbraw/zinc/40/76/99/409407699.db2.gz OGEPPRRXLJWRBN-AWEZNQCLSA-N 2 1 323.441 -1.391 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000333733139 409467063 /nfs/dbraw/zinc/46/70/63/409467063.db2.gz WLQKLGMVCWXBBL-ZIAGYGMSSA-N 2 1 313.446 -1.012 20 0 DAADMP CN(CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000352799741 409472564 /nfs/dbraw/zinc/47/25/64/409472564.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 2 1 316.398 -1.614 20 0 DAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355302977 409483995 /nfs/dbraw/zinc/48/39/95/409483995.db2.gz WJFUPJGWFHHDRD-QWHCGFSZSA-N 2 1 313.446 -1.195 20 0 DAADMP CC1(OCC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[NH2+]C1 ZINC000648110816 409493510 /nfs/dbraw/zinc/49/35/10/409493510.db2.gz RUTSDJTZUWIAEY-LBPRGKRZSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C([C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000428624532 409555691 /nfs/dbraw/zinc/55/56/91/409555691.db2.gz IUDUSWAFTFTATK-STQMWFEESA-N 2 1 310.398 -1.355 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512047 409562536 /nfs/dbraw/zinc/56/25/36/409562536.db2.gz CTPNMVYJBSYVBO-XDQVBPFNSA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512047 409562538 /nfs/dbraw/zinc/56/25/38/409562538.db2.gz CTPNMVYJBSYVBO-XDQVBPFNSA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512045 409562939 /nfs/dbraw/zinc/56/29/39/409562939.db2.gz CTPNMVYJBSYVBO-RQJABVFESA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512045 409562944 /nfs/dbraw/zinc/56/29/44/409562944.db2.gz CTPNMVYJBSYVBO-RQJABVFESA-N 2 1 324.425 -1.422 20 0 DAADMP CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372097 409508916 /nfs/dbraw/zinc/50/89/16/409508916.db2.gz PQCYHIUWFAGIRD-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372357019 409516571 /nfs/dbraw/zinc/51/65/71/409516571.db2.gz NSZVJYONNJWQRN-KGLIPLIRSA-N 2 1 312.414 -1.814 20 0 DAADMP Cn1c2ncn(CC[N@@H+](C)C3CC([NH3+])C3)c2c(=O)n(C)c1=O ZINC000420331903 409537506 /nfs/dbraw/zinc/53/75/06/409537506.db2.gz MVHDBDMWLWVELQ-UHFFFAOYSA-N 2 1 306.370 -1.145 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419895005 409537962 /nfs/dbraw/zinc/53/79/62/409537962.db2.gz OFUIAOUNTNSMMQ-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000420204079 409538375 /nfs/dbraw/zinc/53/83/75/409538375.db2.gz RYEQSUBWKGCXSV-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000420204079 409538386 /nfs/dbraw/zinc/53/83/86/409538386.db2.gz RYEQSUBWKGCXSV-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000419894080 409540913 /nfs/dbraw/zinc/54/09/13/409540913.db2.gz VSGNAUHIECWLNR-VXGBXAGGSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000419894080 409540918 /nfs/dbraw/zinc/54/09/18/409540918.db2.gz VSGNAUHIECWLNR-VXGBXAGGSA-N 2 1 312.414 -1.232 20 0 DAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CCOC ZINC000420188270 409541378 /nfs/dbraw/zinc/54/13/78/409541378.db2.gz SSAGWSINUAFONY-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423354175 409546305 /nfs/dbraw/zinc/54/63/05/409546305.db2.gz FOZVBZLVAOEHPN-STQMWFEESA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423354175 409546313 /nfs/dbraw/zinc/54/63/13/409546313.db2.gz FOZVBZLVAOEHPN-STQMWFEESA-N 2 1 312.414 -1.029 20 0 DAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000514824372 409553388 /nfs/dbraw/zinc/55/33/88/409553388.db2.gz DYYOMTOAVIXOSS-CQSZACIVSA-N 2 1 323.441 -1.144 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430600651 409571460 /nfs/dbraw/zinc/57/14/60/409571460.db2.gz BRAOTTRHIWEDJF-NSHDSACASA-N 2 1 311.386 -2.268 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000568998307 409659607 /nfs/dbraw/zinc/65/96/07/409659607.db2.gz TYTKNJPQSYOEHY-KBPBESRZSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000568998307 409659613 /nfs/dbraw/zinc/65/96/13/409659613.db2.gz TYTKNJPQSYOEHY-KBPBESRZSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000568998307 409659620 /nfs/dbraw/zinc/65/96/20/409659620.db2.gz TYTKNJPQSYOEHY-KBPBESRZSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000568998310 409660010 /nfs/dbraw/zinc/66/00/10/409660010.db2.gz TYTKNJPQSYOEHY-ZIAGYGMSSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000568998310 409660018 /nfs/dbraw/zinc/66/00/18/409660018.db2.gz TYTKNJPQSYOEHY-ZIAGYGMSSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000568998310 409660027 /nfs/dbraw/zinc/66/00/27/409660027.db2.gz TYTKNJPQSYOEHY-ZIAGYGMSSA-N 2 1 317.430 -1.038 20 0 DAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000581500408 409667574 /nfs/dbraw/zinc/66/75/74/409667574.db2.gz QZDYONFLGKVKMS-LBPRGKRZSA-N 2 1 311.430 -1.393 20 0 DAADMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCOCC1 ZINC000659692652 409688267 /nfs/dbraw/zinc/68/82/67/409688267.db2.gz UPHFFGJFWUNWAA-VEAWUBTESA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000659691619 409688553 /nfs/dbraw/zinc/68/85/53/409688553.db2.gz LOIUAGZWQHMPGL-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659682218 409688989 /nfs/dbraw/zinc/68/89/89/409688989.db2.gz HRHKBCXWSKFLCN-LBPRGKRZSA-N 2 1 311.430 -1.264 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659704971 409689027 /nfs/dbraw/zinc/68/90/27/409689027.db2.gz UGWLTVYQFAETHN-VXGBXAGGSA-N 2 1 318.393 -1.031 20 0 DAADMP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000659697799 409690721 /nfs/dbraw/zinc/69/07/21/409690721.db2.gz VRRHEPWEDGZSDD-BVWOZKJXSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697799 409690726 /nfs/dbraw/zinc/69/07/26/409690726.db2.gz VRRHEPWEDGZSDD-BVWOZKJXSA-N 2 1 310.398 -1.310 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1CCO ZINC000662975874 409723208 /nfs/dbraw/zinc/72/32/08/409723208.db2.gz KOHLMMNPEQNNBH-UHFFFAOYSA-N 2 1 324.425 -1.149 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1CCO ZINC000662975874 409723214 /nfs/dbraw/zinc/72/32/14/409723214.db2.gz KOHLMMNPEQNNBH-UHFFFAOYSA-N 2 1 324.425 -1.149 20 0 DAADMP Cc1cc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)no1 ZINC000584361813 409769073 /nfs/dbraw/zinc/76/90/73/409769073.db2.gz DVINTTJOXWJSSU-MNOVXSKESA-N 2 1 307.354 -0.445 20 0 DAADMP Cc1cc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)no1 ZINC000584361813 409769075 /nfs/dbraw/zinc/76/90/75/409769075.db2.gz DVINTTJOXWJSSU-MNOVXSKESA-N 2 1 307.354 -0.445 20 0 DAADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662767718 409718529 /nfs/dbraw/zinc/71/85/29/409718529.db2.gz YWAUDWPRTXWZRT-AVGNSLFASA-N 2 1 310.398 -1.227 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961519 782022389 /nfs/dbraw/zinc/02/23/89/782022389.db2.gz SXODHOSFOBTYGD-SYQHCUMBSA-N 2 1 317.430 -1.259 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001194095873 782028900 /nfs/dbraw/zinc/02/89/00/782028900.db2.gz UGTNQVVMVWIEDO-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001194095873 782028905 /nfs/dbraw/zinc/02/89/05/782028905.db2.gz UGTNQVVMVWIEDO-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001194095805 782028985 /nfs/dbraw/zinc/02/89/85/782028985.db2.gz RDGSAXKRDXQRSG-UMSGYPCISA-N 2 1 303.403 -1.505 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430670987 262627665 /nfs/dbraw/zinc/62/76/65/262627665.db2.gz WWCAIRPFMLWEPS-LLVKDONJSA-N 2 1 311.386 -1.414 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828022 263221131 /nfs/dbraw/zinc/22/11/31/263221131.db2.gz VKTJWZRTAQHPQB-GHMZBOCLSA-N 2 1 311.386 -1.273 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000423618340 263221647 /nfs/dbraw/zinc/22/16/47/263221647.db2.gz YOMBOOQXDVMECT-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000423618340 263221648 /nfs/dbraw/zinc/22/16/48/263221648.db2.gz YOMBOOQXDVMECT-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000516434824 263229802 /nfs/dbraw/zinc/22/98/02/263229802.db2.gz PMAXWOCXCXDDAC-MBNYWOFBSA-N 2 1 323.441 -1.171 20 0 DAADMP CN(CCN1C(=O)NC(C)(C)C1=O)CC(=O)N1CCNCC1 ZINC000261964745 263232650 /nfs/dbraw/zinc/23/26/50/263232650.db2.gz PENKLUPBNWJHGI-UHFFFAOYSA-N 2 1 311.386 -1.320 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419454723 263234395 /nfs/dbraw/zinc/23/43/95/263234395.db2.gz UXCAVQKCSAZAKD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643577 263234847 /nfs/dbraw/zinc/23/48/47/263234847.db2.gz XFNFNPGJJBBQHJ-NSHDSACASA-N 2 1 306.432 -1.287 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430801238 263238400 /nfs/dbraw/zinc/23/84/00/263238400.db2.gz YHFCAWCNWBZNAD-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC(C)(CNC(=O)C(=O)NCC(F)(F)C[NH3+])N1CCOCC1 ZINC000418836708 263238438 /nfs/dbraw/zinc/23/84/38/263238438.db2.gz QDKKVJMCYTVXOY-UHFFFAOYSA-N 2 1 322.356 -1.076 20 0 DAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262022850 263244828 /nfs/dbraw/zinc/24/48/28/263244828.db2.gz GIBVIMCAYSPNLD-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000330549269 263245097 /nfs/dbraw/zinc/24/50/97/263245097.db2.gz RHXCPJNWZJGQMX-CHWSQXEVSA-N 2 1 301.387 -1.532 20 0 DAADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000330549269 263245100 /nfs/dbraw/zinc/24/51/00/263245100.db2.gz RHXCPJNWZJGQMX-CHWSQXEVSA-N 2 1 301.387 -1.532 20 0 DAADMP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000375920991 263246245 /nfs/dbraw/zinc/24/62/45/263246245.db2.gz HJPUYUOKISZMSB-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000424491471 263247044 /nfs/dbraw/zinc/24/70/44/263247044.db2.gz DLACAZCHTUSDEF-UHFFFAOYSA-N 2 1 300.403 -1.027 20 0 DAADMP COC[C@@H](N)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000263247405 263253353 /nfs/dbraw/zinc/25/33/53/263253353.db2.gz NLYDKQGLWYIQEW-LLVKDONJSA-N 2 1 319.369 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000354511003 263263204 /nfs/dbraw/zinc/26/32/04/263263204.db2.gz OUWKZVXSPQFJIX-DZGCQCFKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[C@@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332033841 263264955 /nfs/dbraw/zinc/26/49/55/263264955.db2.gz WKZIUFSTDQELFM-SNVBAGLBSA-N 2 1 319.431 -1.648 20 0 DAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419417092 263275112 /nfs/dbraw/zinc/27/51/12/263275112.db2.gz WPGYYAVIWRZSKK-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H](CC[NH3+])NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331921369 263275748 /nfs/dbraw/zinc/27/57/48/263275748.db2.gz CIMVLVSHOSSBQK-JTQLQIEISA-N 2 1 319.431 -1.648 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+]1CCOCC1 ZINC000419306981 263275824 /nfs/dbraw/zinc/27/58/24/263275824.db2.gz ZGZHMIBGACITST-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[C@H](C(=O)NCC(=O)NCCN1CCOCC1)N(C)C ZINC000359234401 263276430 /nfs/dbraw/zinc/27/64/30/263276430.db2.gz QHTCARDLCSIQQW-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419358943 263279568 /nfs/dbraw/zinc/27/95/68/263279568.db2.gz QCGZUINDYYYGIS-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CC(=O)N1CCNCC1 ZINC000430617439 263283284 /nfs/dbraw/zinc/28/32/84/263283284.db2.gz MQOBKWZFYYJTLU-JTQLQIEISA-N 2 1 311.386 -1.273 20 0 DAADMP O=C([C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)N1CC[NH2+]CC1 ZINC000430651304 263289795 /nfs/dbraw/zinc/28/97/95/263289795.db2.gz LLFFTKXESQRFCY-LBPRGKRZSA-N 2 1 323.397 -1.318 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479289179 263293882 /nfs/dbraw/zinc/29/38/82/263293882.db2.gz WCFORBFNTCSUGC-JHJVBQTASA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C ZINC000332249024 263296374 /nfs/dbraw/zinc/29/63/74/263296374.db2.gz AAYOYINABODJRO-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C ZINC000332249024 263296376 /nfs/dbraw/zinc/29/63/76/263296376.db2.gz AAYOYINABODJRO-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP O=C([C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424021234 263303430 /nfs/dbraw/zinc/30/34/30/263303430.db2.gz BCTTWVCGOKHZKK-NSHDSACASA-N 2 1 302.400 -1.816 20 0 DAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189850 263306539 /nfs/dbraw/zinc/30/65/39/263306539.db2.gz FCUOYBXNQLJTKJ-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000422750462 263310282 /nfs/dbraw/zinc/31/02/82/263310282.db2.gz AYQCPMURDUIWAZ-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000345290422 263317731 /nfs/dbraw/zinc/31/77/31/263317731.db2.gz BGNZVLOQLAJIRZ-ZDUSSCGKSA-N 2 1 324.425 -1.061 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1[NH3+] ZINC000423230254 263318439 /nfs/dbraw/zinc/31/84/39/263318439.db2.gz DBSWJICASZXVSM-VXGBXAGGSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332491550 263319494 /nfs/dbraw/zinc/31/94/94/263319494.db2.gz VIRJBFBIGHHSBS-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262022849 263321110 /nfs/dbraw/zinc/32/11/10/263321110.db2.gz GIBVIMCAYSPNLD-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001195708985 782077078 /nfs/dbraw/zinc/07/70/78/782077078.db2.gz VFHDQNVPEONPAN-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001195708985 782077082 /nfs/dbraw/zinc/07/70/82/782077082.db2.gz VFHDQNVPEONPAN-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859208 782084200 /nfs/dbraw/zinc/08/42/00/782084200.db2.gz GGJYRMXZGYJALF-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578893030 332395431 /nfs/dbraw/zinc/39/54/31/332395431.db2.gz PWYFFQSJROZUCA-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP [NH3+]CCCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569692897 332661082 /nfs/dbraw/zinc/66/10/82/332661082.db2.gz VLIMAGPXTFAGDJ-UHFFFAOYSA-N 2 1 304.416 -1.439 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1)N1CCNCC1 ZINC000563150904 333398172 /nfs/dbraw/zinc/39/81/72/333398172.db2.gz CLTUJGCBQXIMDB-CQSZACIVSA-N 3 1 323.441 -1.296 20 0 DAADMP O=C(CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1)N1CCNCC1 ZINC000563150904 333398173 /nfs/dbraw/zinc/39/81/73/333398173.db2.gz CLTUJGCBQXIMDB-CQSZACIVSA-N 3 1 323.441 -1.296 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001196268306 782096399 /nfs/dbraw/zinc/09/63/99/782096399.db2.gz RDGSAXKRDXQRSG-FVCCEPFGSA-N 2 1 303.403 -1.505 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582253067 336395464 /nfs/dbraw/zinc/39/54/64/336395464.db2.gz BWXPXRJUZDSPBD-VXGBXAGGSA-N 2 1 313.402 -1.482 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582253064 336395479 /nfs/dbraw/zinc/39/54/79/336395479.db2.gz BWXPXRJUZDSPBD-NEPJUHHUSA-N 2 1 313.402 -1.482 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000582853788 337210690 /nfs/dbraw/zinc/21/06/90/337210690.db2.gz LXLKULGJCFIQBQ-AWEZNQCLSA-N 2 1 316.446 -1.369 20 0 DAADMP Cn1nncc1CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532931277 337393572 /nfs/dbraw/zinc/39/35/72/337393572.db2.gz CHCUDQGGIDUKAQ-GFCCVEGCSA-N 2 1 308.386 -1.162 20 0 DAADMP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000248733528 341385431 /nfs/dbraw/zinc/38/54/31/341385431.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 2 1 316.446 -1.025 20 0 DAADMP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000248733528 341385432 /nfs/dbraw/zinc/38/54/32/341385432.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 2 1 316.446 -1.025 20 0 DAADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000248733528 341385433 /nfs/dbraw/zinc/38/54/33/341385433.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 2 1 316.446 -1.025 20 0 DAADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)NC ZINC000248733528 341385434 /nfs/dbraw/zinc/38/54/34/341385434.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 2 1 316.446 -1.025 20 0 DAADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000565941199 341543221 /nfs/dbraw/zinc/54/32/21/341543221.db2.gz SGYAPPGAMFLYDC-CQSZACIVSA-N 2 1 313.446 -1.010 20 0 DAADMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000565941193 341543273 /nfs/dbraw/zinc/54/32/73/341543273.db2.gz SGYAPPGAMFLYDC-AWEZNQCLSA-N 2 1 313.446 -1.010 20 0 DAADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000574414489 341758087 /nfs/dbraw/zinc/75/80/87/341758087.db2.gz WCLKIHSKPZANOS-GFCCVEGCSA-N 2 1 300.403 -1.122 20 0 DAADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954007 782117959 /nfs/dbraw/zinc/11/79/59/782117959.db2.gz NACNWIULNYMEPO-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954007 782117965 /nfs/dbraw/zinc/11/79/65/782117965.db2.gz NACNWIULNYMEPO-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197049114 782122197 /nfs/dbraw/zinc/12/21/97/782122197.db2.gz JWCDJIOZAHTDHW-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197049114 782122201 /nfs/dbraw/zinc/12/22/01/782122201.db2.gz JWCDJIOZAHTDHW-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826474 782142516 /nfs/dbraw/zinc/14/25/16/782142516.db2.gz YPGUJMBWXFRHAC-MGPQQGTHSA-N 2 1 317.430 -1.113 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439164 782153813 /nfs/dbraw/zinc/15/38/13/782153813.db2.gz BXKFXFSALCIRNK-UHFFFAOYSA-N 2 1 301.391 -1.122 20 0 DAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC000336842854 519796118 /nfs/dbraw/zinc/79/61/18/519796118.db2.gz UKSQRZMVYOBXMW-CYBMUJFWSA-N 2 1 300.403 -1.076 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672597113 545654320 /nfs/dbraw/zinc/65/43/20/545654320.db2.gz NIQSCNISPYCANN-STQMWFEESA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672597113 545654326 /nfs/dbraw/zinc/65/43/26/545654326.db2.gz NIQSCNISPYCANN-STQMWFEESA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672597113 545654333 /nfs/dbraw/zinc/65/43/33/545654333.db2.gz NIQSCNISPYCANN-STQMWFEESA-N 2 1 311.430 -1.441 20 0 DAADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331995249 545729131 /nfs/dbraw/zinc/72/91/31/545729131.db2.gz PYQMIVFIEAEQFY-ZJUUUORDSA-N 2 1 319.431 -1.649 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332103263 545729985 /nfs/dbraw/zinc/72/99/85/545729985.db2.gz HFURWVASCNMOPN-AVGNSLFASA-N 2 1 310.398 -1.526 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332103263 545729987 /nfs/dbraw/zinc/72/99/87/545729987.db2.gz HFURWVASCNMOPN-AVGNSLFASA-N 2 1 310.398 -1.526 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419365507 545766461 /nfs/dbraw/zinc/76/64/61/545766461.db2.gz XMKLWVHAWQKFER-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419721354 545767073 /nfs/dbraw/zinc/76/70/73/545767073.db2.gz GWYTZNLYINARAY-ZDUSSCGKSA-N 2 1 312.414 -1.101 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419675888 545767159 /nfs/dbraw/zinc/76/71/59/545767159.db2.gz KXDJNBNIMDLWDO-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419702776 545767539 /nfs/dbraw/zinc/76/75/39/545767539.db2.gz BYPJGTOSSOUXJG-AGIUHOORSA-N 2 1 312.414 -1.063 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419874924 545768569 /nfs/dbraw/zinc/76/85/69/545768569.db2.gz WEJDKZXQGNSTPL-LBPRGKRZSA-N 2 1 312.414 -1.245 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419444193 545768992 /nfs/dbraw/zinc/76/89/92/545768992.db2.gz CCEXTMQQLLBVLF-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CC[NH2+]3)cn2)CC1 ZINC000444166061 545780839 /nfs/dbraw/zinc/78/08/39/545780839.db2.gz JAXNQFGWCRDPQV-GFCCVEGCSA-N 2 1 306.370 -1.043 20 0 DAADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025331 545810863 /nfs/dbraw/zinc/81/08/63/545810863.db2.gz HFZZPDAHOUCJCB-XQHKEYJVSA-N 2 1 310.398 -1.622 20 0 DAADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025654 545811552 /nfs/dbraw/zinc/81/15/52/545811552.db2.gz PEJVQURBVTZJOY-UONOGXRCSA-N 2 1 322.409 -1.310 20 0 DAADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656022340 545811847 /nfs/dbraw/zinc/81/18/47/545811847.db2.gz WSRBVTPQOYFIBL-QNWHQSFQSA-N 2 1 310.398 -1.350 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656081376 545815361 /nfs/dbraw/zinc/81/53/61/545815361.db2.gz DXOPXSFLQRUEEK-UONOGXRCSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081376 545815363 /nfs/dbraw/zinc/81/53/63/545815363.db2.gz DXOPXSFLQRUEEK-UONOGXRCSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081376 545815365 /nfs/dbraw/zinc/81/53/65/545815365.db2.gz DXOPXSFLQRUEEK-UONOGXRCSA-N 2 1 324.425 -1.184 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000656103971 545816592 /nfs/dbraw/zinc/81/65/92/545816592.db2.gz DOIMYUPAOATABB-XJFOESAGSA-N 2 1 322.409 -1.526 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000656104347 545816889 /nfs/dbraw/zinc/81/68/89/545816889.db2.gz OJTUYCSTDSUESN-RQJABVFESA-N 2 1 322.409 -1.526 20 0 DAADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656103610 545816930 /nfs/dbraw/zinc/81/69/30/545816930.db2.gz AFCVGIZXGHMSSG-MELADBBJSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656103609 545817247 /nfs/dbraw/zinc/81/72/47/545817247.db2.gz AFCVGIZXGHMSSG-HZSPNIEDSA-N 2 1 324.425 -1.278 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000656104348 545817460 /nfs/dbraw/zinc/81/74/60/545817460.db2.gz OJTUYCSTDSUESN-XJFOESAGSA-N 2 1 322.409 -1.526 20 0 DAADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104658 545817609 /nfs/dbraw/zinc/81/76/09/545817609.db2.gz TZWGTCZNVFCFFQ-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104158 545817771 /nfs/dbraw/zinc/81/77/71/545817771.db2.gz IVIOZDMNUDUNEI-FPMFFAJLSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+] ZINC000656104578 545817860 /nfs/dbraw/zinc/81/78/60/545817860.db2.gz RCIKFIVOHQVXRY-FQUUOJAGSA-N 2 1 324.425 -1.150 20 0 DAADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC000656104022 545817916 /nfs/dbraw/zinc/81/79/16/545817916.db2.gz FVEBITPXSOFBGU-XJFOESAGSA-N 2 1 324.425 -1.150 20 0 DAADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000656104021 545818043 /nfs/dbraw/zinc/81/80/43/545818043.db2.gz FVEBITPXSOFBGU-RQJABVFESA-N 2 1 324.425 -1.150 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000656104345 545818080 /nfs/dbraw/zinc/81/80/80/545818080.db2.gz OJTUYCSTDSUESN-IGQOVBAYSA-N 2 1 322.409 -1.526 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH2+]1 ZINC000656103708 545818177 /nfs/dbraw/zinc/81/81/77/545818177.db2.gz BKPAWYCTFKBVFV-ZDEQEGDKSA-N 2 1 310.398 -1.527 20 0 DAADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104564 545818241 /nfs/dbraw/zinc/81/82/41/545818241.db2.gz QMYWRZQTBLYIDR-UONOGXRCSA-N 2 1 324.425 -1.278 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000627398913 545830401 /nfs/dbraw/zinc/83/04/01/545830401.db2.gz ZFOZVPKUWSEDKC-ZDUSSCGKSA-N 2 1 313.446 -1.207 20 0 DAADMP CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658805793 545836251 /nfs/dbraw/zinc/83/62/51/545836251.db2.gz ZDEDSEBDSGVYNA-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](C)C1 ZINC000658805793 545836254 /nfs/dbraw/zinc/83/62/54/545836254.db2.gz ZDEDSEBDSGVYNA-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](C)C1 ZINC000658805793 545836260 /nfs/dbraw/zinc/83/62/60/545836260.db2.gz ZDEDSEBDSGVYNA-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000658785593 545836565 /nfs/dbraw/zinc/83/65/65/545836565.db2.gz OWCCCJMMZVGDBI-QWHCGFSZSA-N 2 1 310.398 -1.716 20 0 DAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662908133 545839435 /nfs/dbraw/zinc/83/94/35/545839435.db2.gz ZEEOJLPRUBJLEP-UONOGXRCSA-N 2 1 323.441 -1.249 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672597111 545863879 /nfs/dbraw/zinc/86/38/79/545863879.db2.gz NIQSCNISPYCANN-OLZOCXBDSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672597111 545863882 /nfs/dbraw/zinc/86/38/82/545863882.db2.gz NIQSCNISPYCANN-OLZOCXBDSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672597111 545863886 /nfs/dbraw/zinc/86/38/86/545863886.db2.gz NIQSCNISPYCANN-OLZOCXBDSA-N 2 1 311.430 -1.441 20 0 DAADMP O[C@@H]1C[C@H](O)C[NH+](CCOCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498930 545868408 /nfs/dbraw/zinc/86/84/08/545868408.db2.gz YPDRSZZQYKUICN-KPWCQOOUSA-N 2 1 304.387 -2.142 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001199787904 782187197 /nfs/dbraw/zinc/18/71/97/782187197.db2.gz HOIBNDUUKLHBPC-LLVKDONJSA-N 2 1 311.386 -1.144 20 0 DAADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000897901326 662746000 /nfs/dbraw/zinc/74/60/00/662746000.db2.gz PVPARBXFNDEKKG-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000897901326 662746002 /nfs/dbraw/zinc/74/60/02/662746002.db2.gz PVPARBXFNDEKKG-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021049128 662349132 /nfs/dbraw/zinc/34/91/32/662349132.db2.gz IKFRPBYQIFAGBT-DDHJBXDOSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021049129 662349308 /nfs/dbraw/zinc/34/93/08/662349308.db2.gz IKFRPBYQIFAGBT-FIQHERPVSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021927170 662383136 /nfs/dbraw/zinc/38/31/36/662383136.db2.gz CAVKPYXJEMUPLY-RNJOBUHISA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021927170 662383138 /nfs/dbraw/zinc/38/31/38/662383138.db2.gz CAVKPYXJEMUPLY-RNJOBUHISA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021926659 662383284 /nfs/dbraw/zinc/38/32/84/662383284.db2.gz RJCNQLOVGRYIRV-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021926659 662383286 /nfs/dbraw/zinc/38/32/86/662383286.db2.gz RJCNQLOVGRYIRV-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022451454 662392941 /nfs/dbraw/zinc/39/29/41/662392941.db2.gz ACHZSXJSKYTNGU-KSSLBASQSA-N 2 1 322.409 -1.040 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CC[C@H]1C[NH3+] ZINC000926417615 662407901 /nfs/dbraw/zinc/40/79/01/662407901.db2.gz HFWHSLPLYDMKIE-VOAKCMCISA-N 2 1 312.414 -1.389 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CC[C@H]1C[NH3+] ZINC000926417605 662408045 /nfs/dbraw/zinc/40/80/45/662408045.db2.gz HFWHSLPLYDMKIE-MROQNXINSA-N 2 1 312.414 -1.389 20 0 DAADMP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001023084310 662428524 /nfs/dbraw/zinc/42/85/24/662428524.db2.gz NBQVATXZRCGRIZ-GARJFASQSA-N 2 1 308.386 -1.203 20 0 DAADMP O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000091673348 662428704 /nfs/dbraw/zinc/42/87/04/662428704.db2.gz BADQYKHLYJPWOK-NEPJUHHUSA-N 2 1 304.416 -1.411 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)C1 ZINC001023788285 662460007 /nfs/dbraw/zinc/46/00/07/662460007.db2.gz VAGCODKMMGWTPL-RAIGVLPGSA-N 2 1 321.381 -1.408 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1 ZINC001023787653 662460261 /nfs/dbraw/zinc/46/02/61/662460261.db2.gz NDXJZGCOQOTEIH-JHJVBQTASA-N 2 1 321.381 -1.477 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719315 662527542 /nfs/dbraw/zinc/52/75/42/662527542.db2.gz HDMNZUUKWRDAEI-FPYNETTCSA-N 2 1 308.382 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719315 662527545 /nfs/dbraw/zinc/52/75/45/662527545.db2.gz HDMNZUUKWRDAEI-FPYNETTCSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719315 662527550 /nfs/dbraw/zinc/52/75/50/662527550.db2.gz HDMNZUUKWRDAEI-FPYNETTCSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719315 662527555 /nfs/dbraw/zinc/52/75/55/662527555.db2.gz HDMNZUUKWRDAEI-FPYNETTCSA-N 2 1 308.382 -1.748 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798646 662532414 /nfs/dbraw/zinc/53/24/14/662532414.db2.gz CBDSWKSRPJPBRT-DIACKHNESA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798646 662532415 /nfs/dbraw/zinc/53/24/15/662532415.db2.gz CBDSWKSRPJPBRT-DIACKHNESA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798646 662532416 /nfs/dbraw/zinc/53/24/16/662532416.db2.gz CBDSWKSRPJPBRT-DIACKHNESA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798646 662532417 /nfs/dbraw/zinc/53/24/17/662532417.db2.gz CBDSWKSRPJPBRT-DIACKHNESA-N 2 1 308.382 -1.619 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019772337 662535912 /nfs/dbraw/zinc/53/59/12/662535912.db2.gz AMNOZKQFZGDIII-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147796 662542725 /nfs/dbraw/zinc/54/27/25/662542725.db2.gz NMIRKYTZLWPBEJ-DGTMBMJNSA-N 2 1 324.425 -1.112 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000978626569 662615191 /nfs/dbraw/zinc/61/51/91/662615191.db2.gz FMZIWLMKOKOKBK-FQUUOJAGSA-N 2 1 324.425 -1.125 20 0 DAADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000978626569 662615193 /nfs/dbraw/zinc/61/51/93/662615193.db2.gz FMZIWLMKOKOKBK-FQUUOJAGSA-N 2 1 324.425 -1.125 20 0 DAADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000978626569 662615195 /nfs/dbraw/zinc/61/51/95/662615195.db2.gz FMZIWLMKOKOKBK-FQUUOJAGSA-N 2 1 324.425 -1.125 20 0 DAADMP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000931889308 662647748 /nfs/dbraw/zinc/64/77/48/662647748.db2.gz CPZUUFQZBACONK-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+](C)C ZINC000931889308 662647749 /nfs/dbraw/zinc/64/77/49/662647749.db2.gz CPZUUFQZBACONK-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632148 662768737 /nfs/dbraw/zinc/76/87/37/662768737.db2.gz RMBNLJIFKPMBJW-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632148 662768740 /nfs/dbraw/zinc/76/87/40/662768740.db2.gz RMBNLJIFKPMBJW-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990632148 662768747 /nfs/dbraw/zinc/76/87/47/662768747.db2.gz RMBNLJIFKPMBJW-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990632148 662768748 /nfs/dbraw/zinc/76/87/48/662768748.db2.gz RMBNLJIFKPMBJW-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000903601389 662790007 /nfs/dbraw/zinc/79/00/07/662790007.db2.gz JFBWRIQFWGJDOE-GFCCVEGCSA-N 2 1 306.432 -1.165 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755929 662790023 /nfs/dbraw/zinc/79/00/23/662790023.db2.gz MYEDDKBVDHRMBZ-CHWSQXEVSA-N 2 1 322.409 -1.212 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755929 662790026 /nfs/dbraw/zinc/79/00/26/662790026.db2.gz MYEDDKBVDHRMBZ-CHWSQXEVSA-N 2 1 322.409 -1.212 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1[NH3+] ZINC000903770613 662790274 /nfs/dbraw/zinc/79/02/74/662790274.db2.gz HMPRSKSWAHQESX-TUAOUCFPSA-N 2 1 310.398 -1.541 20 0 DAADMP O=C1NC[C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755933 662790798 /nfs/dbraw/zinc/79/07/98/662790798.db2.gz MYEDDKBVDHRMBZ-QWHCGFSZSA-N 2 1 322.409 -1.212 20 0 DAADMP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755933 662790801 /nfs/dbraw/zinc/79/08/01/662790801.db2.gz MYEDDKBVDHRMBZ-QWHCGFSZSA-N 2 1 322.409 -1.212 20 0 DAADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000903784314 662790954 /nfs/dbraw/zinc/79/09/54/662790954.db2.gz FYYWRFWCOZPIKY-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756473 662791019 /nfs/dbraw/zinc/79/10/19/662791019.db2.gz SBFDRMWLDODQDR-LALPHHSUSA-N 2 1 308.382 -1.602 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756473 662791021 /nfs/dbraw/zinc/79/10/21/662791021.db2.gz SBFDRMWLDODQDR-LALPHHSUSA-N 2 1 308.382 -1.602 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904965051 662793029 /nfs/dbraw/zinc/79/30/29/662793029.db2.gz PLCJXHFGSYUDRF-JMSVASOKSA-N 2 1 310.398 -1.417 20 0 DAADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905006885 662793294 /nfs/dbraw/zinc/79/32/94/662793294.db2.gz FTAMQKODAAKDKZ-OQMKEHIESA-N 2 1 322.409 -1.396 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H]1[NH3+] ZINC000904986937 662793612 /nfs/dbraw/zinc/79/36/12/662793612.db2.gz MBDVWKULVQUMPE-AAVRWANBSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904985751 662793716 /nfs/dbraw/zinc/79/37/16/662793716.db2.gz CPMKYAXXTUEGEV-XQQFMLRXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904985404 662793725 /nfs/dbraw/zinc/79/37/25/662793725.db2.gz BCZPUDQAJGAWGA-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H]1[NH3+] ZINC000904986938 662793793 /nfs/dbraw/zinc/79/37/93/662793793.db2.gz MBDVWKULVQUMPE-MQYQWHSLSA-N 2 1 324.425 -1.150 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985813 662793802 /nfs/dbraw/zinc/79/38/02/662793802.db2.gz DPVQTESXUNMPKA-BFHYXJOUSA-N 2 1 324.425 -1.006 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904987256 662793896 /nfs/dbraw/zinc/79/38/96/662793896.db2.gz OBJHUUUHMVWMTK-QWHCGFSZSA-N 2 1 312.414 -1.149 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985814 662793909 /nfs/dbraw/zinc/79/39/09/662793909.db2.gz DPVQTESXUNMPKA-IHRRRGAJSA-N 2 1 324.425 -1.006 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986064 662793921 /nfs/dbraw/zinc/79/39/21/662793921.db2.gz FMOKXWLEDVZMLE-QWHCGFSZSA-N 2 1 312.414 -1.149 20 0 DAADMP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989700 662793963 /nfs/dbraw/zinc/79/39/63/662793963.db2.gz NJBCYYRYFIUQLN-STQMWFEESA-N 2 1 310.398 -1.524 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000905021396 662794238 /nfs/dbraw/zinc/79/42/38/662794238.db2.gz KHULOWLKQZNIRQ-HEHGZKQESA-N 2 1 324.425 -1.157 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000905023726 662794344 /nfs/dbraw/zinc/79/43/44/662794344.db2.gz URBSSEIWHIYQET-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905110830 662794694 /nfs/dbraw/zinc/79/46/94/662794694.db2.gz OWJRBSZMFKWJQE-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911032380 663135832 /nfs/dbraw/zinc/13/58/32/663135832.db2.gz UDLBDCVKTUXHEX-NWDGAFQWSA-N 2 1 311.430 -1.456 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000911031342 663135837 /nfs/dbraw/zinc/13/58/37/663135837.db2.gz POMUUQZIDNLGDW-JHJVBQTASA-N 2 1 311.430 -1.598 20 0 DAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035312 663135879 /nfs/dbraw/zinc/13/58/79/663135879.db2.gz SQCPAKLMXUZSTL-LBPRGKRZSA-N 2 1 323.441 -1.121 20 0 DAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035312 663135880 /nfs/dbraw/zinc/13/58/80/663135880.db2.gz SQCPAKLMXUZSTL-LBPRGKRZSA-N 2 1 323.441 -1.121 20 0 DAADMP C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000911030876 663136013 /nfs/dbraw/zinc/13/60/13/663136013.db2.gz MROQHXHUZJECCX-ZDUSSCGKSA-N 2 1 313.446 -1.195 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911071925 663136216 /nfs/dbraw/zinc/13/62/16/663136216.db2.gz DLXWJZYSAUKNCQ-IAQYHMDHSA-N 2 1 310.398 -1.349 20 0 DAADMP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000911071695 663136335 /nfs/dbraw/zinc/13/63/35/663136335.db2.gz CZFKCCONUXYUPQ-ZDUSSCGKSA-N 2 1 323.441 -1.121 20 0 DAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911071689 663136739 /nfs/dbraw/zinc/13/67/39/663136739.db2.gz CYEVBMKAUCAXEO-GFCCVEGCSA-N 2 1 309.414 -1.639 20 0 DAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911146268 663137464 /nfs/dbraw/zinc/13/74/64/663137464.db2.gz KPPGGZYHXNBDLH-JSGCOSHPSA-N 2 1 323.441 -1.393 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000911147376 663137486 /nfs/dbraw/zinc/13/74/86/663137486.db2.gz QKIVOJNSNVCHMH-QWHCGFSZSA-N 2 1 323.441 -1.251 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000911139134 663137616 /nfs/dbraw/zinc/13/76/16/663137616.db2.gz XDOGPDLMFJKMLO-YNEHKIRRSA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911148680 663137655 /nfs/dbraw/zinc/13/76/55/663137655.db2.gz ZSIBYFUOAUOQIB-KFNAQCHYSA-N 2 1 324.425 -1.103 20 0 DAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000911139015 663137684 /nfs/dbraw/zinc/13/76/84/663137684.db2.gz VYKTZGBGBOQIHQ-JHJVBQTASA-N 2 1 312.414 -1.205 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911148480 663137824 /nfs/dbraw/zinc/13/78/24/663137824.db2.gz PESLKOBAYMIASG-ZOBORPQBSA-N 2 1 324.425 -1.063 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000911160999 663138030 /nfs/dbraw/zinc/13/80/30/663138030.db2.gz CXHKZBFWFIIXLX-FVCCEPFGSA-N 2 1 312.414 -1.207 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000911160999 663138031 /nfs/dbraw/zinc/13/80/31/663138031.db2.gz CXHKZBFWFIIXLX-FVCCEPFGSA-N 2 1 312.414 -1.207 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911156212 663138081 /nfs/dbraw/zinc/13/80/81/663138081.db2.gz NYEZZHSQZQEUAR-QWHCGFSZSA-N 2 1 312.414 -1.251 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911156689 663138103 /nfs/dbraw/zinc/13/81/03/663138103.db2.gz QAOUWUMZMUWBAG-LBPRGKRZSA-N 2 1 316.402 -1.872 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000911163537 663138300 /nfs/dbraw/zinc/13/83/00/663138300.db2.gz WHSVFRSIGGASPC-YYHQMBLXSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163537 663138303 /nfs/dbraw/zinc/13/83/03/663138303.db2.gz WHSVFRSIGGASPC-YYHQMBLXSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161061 663138374 /nfs/dbraw/zinc/13/83/74/663138374.db2.gz FBCTXJDMNHJGNQ-FQUUOJAGSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161061 663138375 /nfs/dbraw/zinc/13/83/75/663138375.db2.gz FBCTXJDMNHJGNQ-FQUUOJAGSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000911160763 663138468 /nfs/dbraw/zinc/13/84/68/663138468.db2.gz BWDOLHBQTPLCFB-SDDRHHMPSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911160763 663138469 /nfs/dbraw/zinc/13/84/69/663138469.db2.gz BWDOLHBQTPLCFB-SDDRHHMPSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000911160764 663138594 /nfs/dbraw/zinc/13/85/94/663138594.db2.gz BWDOLHBQTPLCFB-SRVKXCTJSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911160764 663138598 /nfs/dbraw/zinc/13/85/98/663138598.db2.gz BWDOLHBQTPLCFB-SRVKXCTJSA-N 2 1 312.414 -1.064 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911239630 663139299 /nfs/dbraw/zinc/13/92/99/663139299.db2.gz CZLFWYPXACGWSY-MROQNXINSA-N 2 1 310.398 -1.168 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911239631 663139609 /nfs/dbraw/zinc/13/96/09/663139609.db2.gz CZLFWYPXACGWSY-UMSGYPCISA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000911204513 663139863 /nfs/dbraw/zinc/13/98/63/663139863.db2.gz FMCILTGWZWHUFK-GFCCVEGCSA-N 2 1 311.430 -1.393 20 0 DAADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911247353 663140110 /nfs/dbraw/zinc/14/01/10/663140110.db2.gz PGSOUUXDZFOTRW-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911275063 663140191 /nfs/dbraw/zinc/14/01/91/663140191.db2.gz UJQODLIBDZVQBK-JHJVBQTASA-N 2 1 310.398 -1.478 20 0 DAADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911296686 663141056 /nfs/dbraw/zinc/14/10/56/663141056.db2.gz KEOTYLURSAEZGF-NEPJUHHUSA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282980 663141408 /nfs/dbraw/zinc/14/14/08/663141408.db2.gz FPROWPDVGUUCPL-KBPBESRZSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911327310 663141753 /nfs/dbraw/zinc/14/17/53/663141753.db2.gz UJQODLIBDZVQBK-XQQFMLRXSA-N 2 1 310.398 -1.478 20 0 DAADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911282474 663141978 /nfs/dbraw/zinc/14/19/78/663141978.db2.gz QZZWKCUTDWZGRR-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911337781 663142362 /nfs/dbraw/zinc/14/23/62/663142362.db2.gz WHHIQJKLUGQPPY-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911348734 663142587 /nfs/dbraw/zinc/14/25/87/663142587.db2.gz REKAZMTVBQZBQU-RFQIPJPRSA-N 2 1 324.425 -1.089 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911348733 663142611 /nfs/dbraw/zinc/14/26/11/663142611.db2.gz REKAZMTVBQZBQU-REWJHTLYSA-N 2 1 324.425 -1.089 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000911345307 663142937 /nfs/dbraw/zinc/14/29/37/663142937.db2.gz ICDKZOJMUAVPLC-XUJVJEKNSA-N 2 1 310.398 -1.499 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911538890 663149258 /nfs/dbraw/zinc/14/92/58/663149258.db2.gz WMZNUGHUUZKTCL-YNEHKIRRSA-N 2 1 324.425 -1.089 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991722551 663186542 /nfs/dbraw/zinc/18/65/42/663186542.db2.gz PIRCJRJQUKBUSU-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991722551 663186543 /nfs/dbraw/zinc/18/65/43/663186543.db2.gz PIRCJRJQUKBUSU-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991722551 663186544 /nfs/dbraw/zinc/18/65/44/663186544.db2.gz PIRCJRJQUKBUSU-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722551 663186545 /nfs/dbraw/zinc/18/65/45/663186545.db2.gz PIRCJRJQUKBUSU-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000992599043 663241069 /nfs/dbraw/zinc/24/10/69/663241069.db2.gz LDTZHEMFWNKURP-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000992599043 663241075 /nfs/dbraw/zinc/24/10/75/663241075.db2.gz LDTZHEMFWNKURP-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000992599043 663241080 /nfs/dbraw/zinc/24/10/80/663241080.db2.gz LDTZHEMFWNKURP-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599043 663241084 /nfs/dbraw/zinc/24/10/84/663241084.db2.gz LDTZHEMFWNKURP-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000994917366 663346659 /nfs/dbraw/zinc/34/66/59/663346659.db2.gz YQZXDEYETLHVIC-CQSZACIVSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000994917366 663346663 /nfs/dbraw/zinc/34/66/63/663346663.db2.gz YQZXDEYETLHVIC-CQSZACIVSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182086 663444705 /nfs/dbraw/zinc/44/47/05/663444705.db2.gz DQRQGPREKIUSLK-NWDGAFQWSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182086 663444710 /nfs/dbraw/zinc/44/47/10/663444710.db2.gz DQRQGPREKIUSLK-NWDGAFQWSA-N 2 1 308.382 -1.209 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996823016 663493852 /nfs/dbraw/zinc/49/38/52/663493852.db2.gz SXEPUHLZTQWCPA-RYCVTPFZSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999765528 663563746 /nfs/dbraw/zinc/56/37/46/663563746.db2.gz PAFCVKBOPNRTMO-BWAOXVRWSA-N 2 1 322.409 -1.085 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865055 663568570 /nfs/dbraw/zinc/56/85/70/663568570.db2.gz RUPGYWJDCMPATN-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865055 663568574 /nfs/dbraw/zinc/56/85/74/663568574.db2.gz RUPGYWJDCMPATN-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000999865055 663568577 /nfs/dbraw/zinc/56/85/77/663568577.db2.gz RUPGYWJDCMPATN-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000999865055 663568581 /nfs/dbraw/zinc/56/85/81/663568581.db2.gz RUPGYWJDCMPATN-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536625 663583053 /nfs/dbraw/zinc/58/30/53/663583053.db2.gz RICHMDBHJGXPKW-MJBXVCDLSA-N 2 1 324.425 -1.027 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536625 663583055 /nfs/dbraw/zinc/58/30/55/663583055.db2.gz RICHMDBHJGXPKW-MJBXVCDLSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536625 663583057 /nfs/dbraw/zinc/58/30/57/663583057.db2.gz RICHMDBHJGXPKW-MJBXVCDLSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536625 663583059 /nfs/dbraw/zinc/58/30/59/663583059.db2.gz RICHMDBHJGXPKW-MJBXVCDLSA-N 2 1 324.425 -1.027 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001297870 663599698 /nfs/dbraw/zinc/59/96/98/663599698.db2.gz URJPZGFVOKJBLH-UONOGXRCSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001297870 663599703 /nfs/dbraw/zinc/59/97/03/663599703.db2.gz URJPZGFVOKJBLH-UONOGXRCSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297870 663599707 /nfs/dbraw/zinc/59/97/07/663599707.db2.gz URJPZGFVOKJBLH-UONOGXRCSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297870 663599712 /nfs/dbraw/zinc/59/97/12/663599712.db2.gz URJPZGFVOKJBLH-UONOGXRCSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1)CCOCCO ZINC000922110926 663622169 /nfs/dbraw/zinc/62/21/69/663622169.db2.gz SJKGWIAQUOEJPN-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CCOCCO ZINC000922110926 663622172 /nfs/dbraw/zinc/62/21/72/663622172.db2.gz SJKGWIAQUOEJPN-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)CCOCCO ZINC000922110926 663622177 /nfs/dbraw/zinc/62/21/77/663622177.db2.gz SJKGWIAQUOEJPN-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)CCOCCO ZINC000922111819 663622291 /nfs/dbraw/zinc/62/22/91/663622291.db2.gz NGXNUDKWXNEMOQ-AWEZNQCLSA-N 2 1 315.414 -1.236 20 0 DAADMP C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)N1CC[NH+](C)CC1 ZINC000922125141 663622846 /nfs/dbraw/zinc/62/28/46/663622846.db2.gz NTZVTFJABQTYTI-AWEZNQCLSA-N 2 1 316.446 -1.321 20 0 DAADMP C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)N1CC[NH+](C)CC1 ZINC000922125141 663622848 /nfs/dbraw/zinc/62/28/48/663622848.db2.gz NTZVTFJABQTYTI-AWEZNQCLSA-N 2 1 316.446 -1.321 20 0 DAADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000923436813 663697331 /nfs/dbraw/zinc/69/73/31/663697331.db2.gz LSSFMVNTDGSZID-DLOVCJGASA-N 2 1 304.416 -2.244 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918723 663698536 /nfs/dbraw/zinc/69/85/36/663698536.db2.gz PXYPOZOLUMZDQY-OLZOCXBDSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946928629 663699447 /nfs/dbraw/zinc/69/94/47/663699447.db2.gz UMPSLOBYIQDSLF-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946928627 663699552 /nfs/dbraw/zinc/69/95/52/663699552.db2.gz UMPSLOBYIQDSLF-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923602863 663700153 /nfs/dbraw/zinc/70/01/53/663700153.db2.gz HPARJVCNRDGTEQ-GFCCVEGCSA-N 2 1 318.443 -1.180 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923602863 663700154 /nfs/dbraw/zinc/70/01/54/663700154.db2.gz HPARJVCNRDGTEQ-GFCCVEGCSA-N 2 1 318.443 -1.180 20 0 DAADMP C[NH+]1CCC(OCC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000827577414 663868411 /nfs/dbraw/zinc/86/84/11/663868411.db2.gz IEGZEUSWPXDQAF-AWEZNQCLSA-N 2 1 301.387 -1.436 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164743 663876673 /nfs/dbraw/zinc/87/66/73/663876673.db2.gz NZJATXPEHKTLQH-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+][C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000842514305 663877190 /nfs/dbraw/zinc/87/71/90/663877190.db2.gz WEWANPGIVFKYDM-LBPRGKRZSA-N 2 1 316.427 -1.440 20 0 DAADMP O=S(=O)(C1CN(CC2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000843054871 663877833 /nfs/dbraw/zinc/87/78/33/663877833.db2.gz LPJFQTSBIPQIMT-UHFFFAOYSA-N 2 1 302.444 -1.095 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848616664 663892590 /nfs/dbraw/zinc/89/25/90/663892590.db2.gz QMTWJYNQSXWVJJ-OLZOCXBDSA-N 2 1 312.414 -1.101 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851685808 663896295 /nfs/dbraw/zinc/89/62/95/663896295.db2.gz WFHMPKAPXHIJLX-BWAOXVRWSA-N 2 1 322.409 -1.085 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685050 663896315 /nfs/dbraw/zinc/89/63/15/663896315.db2.gz OVWOCTRWWYSHMP-LGESCRJUSA-N 2 1 322.409 -1.166 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852870818 663898829 /nfs/dbraw/zinc/89/88/29/663898829.db2.gz YLZDRVLQODWBEO-LLVKDONJSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861756030 663918975 /nfs/dbraw/zinc/91/89/75/663918975.db2.gz SLSAPURVKXFPGA-UMSGYPCISA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000863752475 663926106 /nfs/dbraw/zinc/92/61/06/663926106.db2.gz XQGCOKOJHZZSCU-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710616 663931611 /nfs/dbraw/zinc/93/16/11/663931611.db2.gz ZXQFQWFAWMVNTP-XQQFMLRXSA-N 2 1 324.381 -1.288 20 0 DAADMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710616 663931615 /nfs/dbraw/zinc/93/16/15/663931615.db2.gz ZXQFQWFAWMVNTP-XQQFMLRXSA-N 2 1 324.381 -1.288 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[C@@H](C[NH3+])C1 ZINC000868385674 663934281 /nfs/dbraw/zinc/93/42/81/663934281.db2.gz WRIBAGSXLFVMRI-HZSPNIEDSA-N 2 1 323.441 -1.360 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868397628 663934315 /nfs/dbraw/zinc/93/43/15/663934315.db2.gz YSECYTVZQDIIFB-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000923622200 663937860 /nfs/dbraw/zinc/93/78/60/663937860.db2.gz VAHYWANZNLUUNJ-OLZOCXBDSA-N 2 1 320.459 -1.087 20 0 DAADMP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000923622200 663937862 /nfs/dbraw/zinc/93/78/62/663937862.db2.gz VAHYWANZNLUUNJ-OLZOCXBDSA-N 2 1 320.459 -1.087 20 0 DAADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232930 663939620 /nfs/dbraw/zinc/93/96/20/663939620.db2.gz JUDYVAAPSHPDQH-DZGCQCFKSA-N 2 1 313.398 -1.341 20 0 DAADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232930 663939625 /nfs/dbraw/zinc/93/96/25/663939625.db2.gz JUDYVAAPSHPDQH-DZGCQCFKSA-N 2 1 313.398 -1.341 20 0 DAADMP O=S(=O)(N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000923643488 663945136 /nfs/dbraw/zinc/94/51/36/663945136.db2.gz KYRVOWLUMVOTJS-GFCCVEGCSA-N 2 1 303.432 -1.884 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923647344 663946365 /nfs/dbraw/zinc/94/63/65/663946365.db2.gz YFBQYPNWIHEMNN-QWRGUYRKSA-N 2 1 305.400 -1.095 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749969 663946782 /nfs/dbraw/zinc/94/67/82/663946782.db2.gz SFOZLMSJAIQHBL-QWHCGFSZSA-N 2 1 313.446 -1.066 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876754059 663947454 /nfs/dbraw/zinc/94/74/54/663947454.db2.gz AXMHGFYQPWSJLL-JSGCOSHPSA-N 2 1 301.387 -1.172 20 0 DAADMP [NH3+][C@H](CC1CC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884344673 663963989 /nfs/dbraw/zinc/96/39/89/663963989.db2.gz MQXGCYMJHPYUIQ-GFCCVEGCSA-N 2 1 316.427 -1.440 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCOCC1 ZINC000884544825 663964516 /nfs/dbraw/zinc/96/45/16/663964516.db2.gz QNNVCZGEFRULHQ-AGIUHOORSA-N 2 1 310.398 -1.356 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884570881 663964663 /nfs/dbraw/zinc/96/46/63/663964663.db2.gz BOEGOBCXFTVGID-BCUIYNNISA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884570881 663964667 /nfs/dbraw/zinc/96/46/67/663964667.db2.gz BOEGOBCXFTVGID-BCUIYNNISA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884570883 663965140 /nfs/dbraw/zinc/96/51/40/663965140.db2.gz BOEGOBCXFTVGID-OQMKEHIESA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884570883 663965143 /nfs/dbraw/zinc/96/51/43/663965143.db2.gz BOEGOBCXFTVGID-OQMKEHIESA-N 2 1 324.425 -1.110 20 0 DAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884560241 663965185 /nfs/dbraw/zinc/96/51/85/663965185.db2.gz RLRTZOUCWCMZRV-UPJWGTAASA-N 2 1 310.398 -1.085 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884562488 663965263 /nfs/dbraw/zinc/96/52/63/663965263.db2.gz BRHHUWLKTHDBHU-VXGBXAGGSA-N 2 1 300.403 -1.266 20 0 DAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884677196 663965855 /nfs/dbraw/zinc/96/58/55/663965855.db2.gz KYRDAZFKPUWSIJ-KBPBESRZSA-N 2 1 323.441 -1.440 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884721652 663966383 /nfs/dbraw/zinc/96/63/83/663966383.db2.gz QEIQUCWSTVLQGR-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884721650 663966755 /nfs/dbraw/zinc/96/67/55/663966755.db2.gz QEIQUCWSTVLQGR-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884812751 663967408 /nfs/dbraw/zinc/96/74/08/663967408.db2.gz ZIXXPUZPZCGXQQ-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+](C)C[C@H]1NC(=O)N(CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000925275952 663980590 /nfs/dbraw/zinc/98/05/90/663980590.db2.gz LMROLJQNFYPYGF-LLVKDONJSA-N 2 1 311.386 -1.368 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000926313152 663981072 /nfs/dbraw/zinc/98/10/72/663981072.db2.gz RNLKFFMRUDAWBQ-MRXNPFEDSA-N 2 1 324.425 -1.147 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926295213 663981290 /nfs/dbraw/zinc/98/12/90/663981290.db2.gz MJOPNZIPIZNJCL-OAHLLOKOSA-N 2 1 312.414 -1.147 20 0 DAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926334224 663981982 /nfs/dbraw/zinc/98/19/82/663981982.db2.gz RUOOHBPOUTVBCW-ZDUSSCGKSA-N 2 1 311.430 -1.582 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000926336642 663982206 /nfs/dbraw/zinc/98/22/06/663982206.db2.gz ZBAGJSKSKKDDTK-DOMZBBRYSA-N 2 1 310.398 -1.395 20 0 DAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000926330982 663982356 /nfs/dbraw/zinc/98/23/56/663982356.db2.gz CZBXYGLWHMZQKG-CZUORRHYSA-N 2 1 324.425 -1.006 20 0 DAADMP CN(C(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000926330506 663982484 /nfs/dbraw/zinc/98/24/84/663982484.db2.gz AAURVDHLLDKCDJ-AWEZNQCLSA-N 2 1 323.441 -1.297 20 0 DAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926332056 663982912 /nfs/dbraw/zinc/98/29/12/663982912.db2.gz HSRSWFUYPFOAGQ-SWLSCSKDSA-N 2 1 312.414 -1.291 20 0 DAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926382272 663983562 /nfs/dbraw/zinc/98/35/62/663983562.db2.gz IVKCKOCHUXHUIY-WFASDCNBSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1 ZINC000926411278 663984371 /nfs/dbraw/zinc/98/43/71/663984371.db2.gz CWOOAZRFPOUWRC-HZPDHXFCSA-N 2 1 324.425 -1.147 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426938 663984663 /nfs/dbraw/zinc/98/46/63/663984663.db2.gz ATKNTMYPDYRVPG-QNWHQSFQSA-N 2 1 310.398 -1.765 20 0 DAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931879615 663996734 /nfs/dbraw/zinc/99/67/34/663996734.db2.gz TULBQHCCIHJUMU-CYBMUJFWSA-N 3 1 313.446 -1.242 20 0 DAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931879615 663996739 /nfs/dbraw/zinc/99/67/39/663996739.db2.gz TULBQHCCIHJUMU-CYBMUJFWSA-N 3 1 313.446 -1.242 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000299 /nfs/dbraw/zinc/00/02/99/664000299.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 2 1 309.432 -1.464 20 0 DAADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001730 /nfs/dbraw/zinc/00/17/30/664001730.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 1 323.459 -1.218 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001735 /nfs/dbraw/zinc/00/17/35/664001735.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 1 323.459 -1.218 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(Cn2cccn2)C(N)=O)CC1 ZINC000934221553 664002961 /nfs/dbraw/zinc/00/29/61/664002961.db2.gz OFBGGIAMAOYEAT-OAHLLOKOSA-N 2 1 322.413 -1.119 20 0 DAADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000953959996 664130993 /nfs/dbraw/zinc/13/09/93/664130993.db2.gz WZDDFEBFLMBTGL-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953959996 664131006 /nfs/dbraw/zinc/13/10/06/664131006.db2.gz WZDDFEBFLMBTGL-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000953959996 664131013 /nfs/dbraw/zinc/13/10/13/664131013.db2.gz WZDDFEBFLMBTGL-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000953959996 664131023 /nfs/dbraw/zinc/13/10/23/664131023.db2.gz WZDDFEBFLMBTGL-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214467 664248256 /nfs/dbraw/zinc/24/82/56/664248256.db2.gz IARQRAYCXVOGHR-NWDGAFQWSA-N 2 1 310.398 -1.491 20 0 DAADMP NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214467 664248259 /nfs/dbraw/zinc/24/82/59/664248259.db2.gz IARQRAYCXVOGHR-NWDGAFQWSA-N 2 1 310.398 -1.491 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375458 664262180 /nfs/dbraw/zinc/26/21/80/664262180.db2.gz UJGOMRYJRGEXND-CHWSQXEVSA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375458 664262182 /nfs/dbraw/zinc/26/21/82/664262182.db2.gz UJGOMRYJRGEXND-CHWSQXEVSA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375460 664262243 /nfs/dbraw/zinc/26/22/43/664262243.db2.gz UJGOMRYJRGEXND-QWHCGFSZSA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375460 664262245 /nfs/dbraw/zinc/26/22/45/664262245.db2.gz UJGOMRYJRGEXND-QWHCGFSZSA-N 2 1 312.414 -1.517 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961286849 664336636 /nfs/dbraw/zinc/33/66/36/664336636.db2.gz ZKJXZIBCKVXQBE-FYXRNUCBSA-N 2 1 307.394 -1.112 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961286849 664336637 /nfs/dbraw/zinc/33/66/37/664336637.db2.gz ZKJXZIBCKVXQBE-FYXRNUCBSA-N 2 1 307.394 -1.112 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961286849 664336640 /nfs/dbraw/zinc/33/66/40/664336640.db2.gz ZKJXZIBCKVXQBE-FYXRNUCBSA-N 2 1 307.394 -1.112 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000961963498 664363742 /nfs/dbraw/zinc/36/37/42/664363742.db2.gz GHFWFNKOEMGEIZ-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963453032 664390948 /nfs/dbraw/zinc/39/09/48/664390948.db2.gz RPFUPEFVWZUZAW-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383730 664515418 /nfs/dbraw/zinc/51/54/18/664515418.db2.gz YGBPYOHFAGKVTJ-NWDGAFQWSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383730 664515419 /nfs/dbraw/zinc/51/54/19/664515419.db2.gz YGBPYOHFAGKVTJ-NWDGAFQWSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383730 664515420 /nfs/dbraw/zinc/51/54/20/664515420.db2.gz YGBPYOHFAGKVTJ-NWDGAFQWSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383730 664515421 /nfs/dbraw/zinc/51/54/21/664515421.db2.gz YGBPYOHFAGKVTJ-NWDGAFQWSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256614 664573050 /nfs/dbraw/zinc/57/30/50/664573050.db2.gz RZFBCUKCPCSYPK-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256614 664573052 /nfs/dbraw/zinc/57/30/52/664573052.db2.gz RZFBCUKCPCSYPK-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256614 664573055 /nfs/dbraw/zinc/57/30/55/664573055.db2.gz RZFBCUKCPCSYPK-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256614 664573056 /nfs/dbraw/zinc/57/30/56/664573056.db2.gz RZFBCUKCPCSYPK-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001018664729 664588645 /nfs/dbraw/zinc/58/86/45/664588645.db2.gz IBNBHNQGOFJSBK-STQMWFEESA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001018664729 664588647 /nfs/dbraw/zinc/58/86/47/664588647.db2.gz IBNBHNQGOFJSBK-STQMWFEESA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001020045500 664608235 /nfs/dbraw/zinc/60/82/35/664608235.db2.gz CTEZTLVTHRLZLC-JHJVBQTASA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001020045500 664608237 /nfs/dbraw/zinc/60/82/37/664608237.db2.gz CTEZTLVTHRLZLC-JHJVBQTASA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046072 664608270 /nfs/dbraw/zinc/60/82/70/664608270.db2.gz SUNYQFYBNHYYAA-FIQHERPVSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046072 664608271 /nfs/dbraw/zinc/60/82/71/664608271.db2.gz SUNYQFYBNHYYAA-FIQHERPVSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001020045499 664608303 /nfs/dbraw/zinc/60/83/03/664608303.db2.gz CTEZTLVTHRLZLC-AVGNSLFASA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001020045499 664608304 /nfs/dbraw/zinc/60/83/04/664608304.db2.gz CTEZTLVTHRLZLC-AVGNSLFASA-N 2 1 308.386 -1.155 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC001082653343 678118488 /nfs/dbraw/zinc/11/84/88/678118488.db2.gz GLQSHHNSUVWDKE-KTGQDBSUSA-N 2 1 322.409 -1.229 20 0 DAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058710858 677687090 /nfs/dbraw/zinc/68/70/90/677687090.db2.gz SCQFMZNQSXDOEZ-ZDUSSCGKSA-N 2 1 314.430 -1.173 20 0 DAADMP C[NH+](C)C[C@@H]1NC(=O)N(CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000925275953 677710121 /nfs/dbraw/zinc/71/01/21/677710121.db2.gz LMROLJQNFYPYGF-NSHDSACASA-N 2 1 311.386 -1.368 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473140 677724014 /nfs/dbraw/zinc/72/40/14/677724014.db2.gz KQRUGENNFILFPJ-SYQHCUMBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)CC[N@H+]1C ZINC001083473140 677724018 /nfs/dbraw/zinc/72/40/18/677724018.db2.gz KQRUGENNFILFPJ-SYQHCUMBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC[NH+]1C ZINC001083473140 677724020 /nfs/dbraw/zinc/72/40/20/677724020.db2.gz KQRUGENNFILFPJ-SYQHCUMBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC[NH+]1C ZINC001083473140 677724024 /nfs/dbraw/zinc/72/40/24/677724024.db2.gz KQRUGENNFILFPJ-SYQHCUMBSA-N 2 1 322.413 -1.220 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418287 677804514 /nfs/dbraw/zinc/80/45/14/677804514.db2.gz MFIXXKVQAPVAJF-YGFYLSKRSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418287 677804516 /nfs/dbraw/zinc/80/45/16/677804516.db2.gz MFIXXKVQAPVAJF-YGFYLSKRSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418287 677804517 /nfs/dbraw/zinc/80/45/17/677804517.db2.gz MFIXXKVQAPVAJF-YGFYLSKRSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418287 677804519 /nfs/dbraw/zinc/80/45/19/677804519.db2.gz MFIXXKVQAPVAJF-YGFYLSKRSA-N 2 1 311.382 -1.997 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1CCNC(=O)C1 ZINC000912303591 677817221 /nfs/dbraw/zinc/81/72/21/677817221.db2.gz LMUZMGJLVOWCFM-ZDUSSCGKSA-N 2 1 313.446 -1.194 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1CCNC(=O)C1 ZINC000912303591 677817223 /nfs/dbraw/zinc/81/72/23/677817223.db2.gz LMUZMGJLVOWCFM-ZDUSSCGKSA-N 2 1 313.446 -1.194 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007232 677903730 /nfs/dbraw/zinc/90/37/30/677903730.db2.gz MWCMIXQIAPPTKH-MGPQQGTHSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007232 677903733 /nfs/dbraw/zinc/90/37/33/677903733.db2.gz MWCMIXQIAPPTKH-MGPQQGTHSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007232 677903735 /nfs/dbraw/zinc/90/37/35/677903735.db2.gz MWCMIXQIAPPTKH-MGPQQGTHSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007232 677903738 /nfs/dbraw/zinc/90/37/38/677903738.db2.gz MWCMIXQIAPPTKH-MGPQQGTHSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174509 677917095 /nfs/dbraw/zinc/91/70/95/677917095.db2.gz NOIFMRJSDNKMDA-JHJVBQTASA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174509 677917098 /nfs/dbraw/zinc/91/70/98/677917098.db2.gz NOIFMRJSDNKMDA-JHJVBQTASA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174509 677917100 /nfs/dbraw/zinc/91/71/00/677917100.db2.gz NOIFMRJSDNKMDA-JHJVBQTASA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174509 677917104 /nfs/dbraw/zinc/91/71/04/677917104.db2.gz NOIFMRJSDNKMDA-JHJVBQTASA-N 2 1 308.386 -1.609 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082457951 678117706 /nfs/dbraw/zinc/11/77/06/678117706.db2.gz PMNNFRQZGOOMRW-MCIONIFRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082457951 678117708 /nfs/dbraw/zinc/11/77/08/678117708.db2.gz PMNNFRQZGOOMRW-MCIONIFRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082457952 678117759 /nfs/dbraw/zinc/11/77/59/678117759.db2.gz PMNNFRQZGOOMRW-MGPQQGTHSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082457952 678117760 /nfs/dbraw/zinc/11/77/60/678117760.db2.gz PMNNFRQZGOOMRW-MGPQQGTHSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091501 678314466 /nfs/dbraw/zinc/31/44/66/678314466.db2.gz BJFWLYLGRKDWHS-OLZOCXBDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091501 678314468 /nfs/dbraw/zinc/31/44/68/678314468.db2.gz BJFWLYLGRKDWHS-OLZOCXBDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042091501 678314471 /nfs/dbraw/zinc/31/44/71/678314471.db2.gz BJFWLYLGRKDWHS-OLZOCXBDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118867 678366499 /nfs/dbraw/zinc/36/64/99/678366499.db2.gz NBNMMIFHMYDLJI-STQMWFEESA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118867 678366502 /nfs/dbraw/zinc/36/65/02/678366502.db2.gz NBNMMIFHMYDLJI-STQMWFEESA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118867 678366507 /nfs/dbraw/zinc/36/65/07/678366507.db2.gz NBNMMIFHMYDLJI-STQMWFEESA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118865 678366576 /nfs/dbraw/zinc/36/65/76/678366576.db2.gz NBNMMIFHMYDLJI-OLZOCXBDSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118865 678366580 /nfs/dbraw/zinc/36/65/80/678366580.db2.gz NBNMMIFHMYDLJI-OLZOCXBDSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118865 678366586 /nfs/dbraw/zinc/36/65/86/678366586.db2.gz NBNMMIFHMYDLJI-OLZOCXBDSA-N 2 1 324.425 -1.421 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123883 678367180 /nfs/dbraw/zinc/36/71/80/678367180.db2.gz JQOWUFVVTWQVGB-CYBMUJFWSA-N 2 1 324.425 -1.134 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043126766 678367392 /nfs/dbraw/zinc/36/73/92/678367392.db2.gz CXBVTMHLWNIOAX-CYBMUJFWSA-N 2 1 324.425 -1.277 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043431851 678379777 /nfs/dbraw/zinc/37/97/77/678379777.db2.gz UGOKZGXZMHXJSR-UHFFFAOYSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045714029 678469877 /nfs/dbraw/zinc/46/98/77/678469877.db2.gz WLYLSAZNXXTFNB-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900171085 678471698 /nfs/dbraw/zinc/47/16/98/678471698.db2.gz GQPUFTZCIFPCBQ-WFASDCNBSA-N 2 1 312.414 -1.326 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082922 678477671 /nfs/dbraw/zinc/47/76/71/678477671.db2.gz YFRSJWRCLSVABN-CQSZACIVSA-N 2 1 323.441 -1.214 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082922 678477674 /nfs/dbraw/zinc/47/76/74/678477674.db2.gz YFRSJWRCLSVABN-CQSZACIVSA-N 2 1 323.441 -1.214 20 0 DAADMP C[C@@]1(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1 ZINC001046501143 678483674 /nfs/dbraw/zinc/48/36/74/678483674.db2.gz KQTPFKRSENTZJL-KOXVPCQNSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833453 678562394 /nfs/dbraw/zinc/56/23/94/678562394.db2.gz ODGDADKOJXRSCC-CRWXNKLISA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833453 678562395 /nfs/dbraw/zinc/56/23/95/678562395.db2.gz ODGDADKOJXRSCC-CRWXNKLISA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833453 678562400 /nfs/dbraw/zinc/56/24/00/678562400.db2.gz ODGDADKOJXRSCC-CRWXNKLISA-N 2 1 322.409 -1.275 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116436 678574466 /nfs/dbraw/zinc/57/44/66/678574466.db2.gz PLWWRSLTJNJRHJ-MCIONIFRSA-N 2 1 324.425 -1.027 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116436 678574469 /nfs/dbraw/zinc/57/44/69/678574469.db2.gz PLWWRSLTJNJRHJ-MCIONIFRSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001049136706 678574996 /nfs/dbraw/zinc/57/49/96/678574996.db2.gz YQDZOCRCKDAVRE-BETUJISGSA-N 2 1 324.425 -1.027 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222662 678578681 /nfs/dbraw/zinc/57/86/81/678578681.db2.gz PWEBGIGYLUIKFZ-FQUUOJAGSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222662 678578685 /nfs/dbraw/zinc/57/86/85/678578685.db2.gz PWEBGIGYLUIKFZ-FQUUOJAGSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222662 678578688 /nfs/dbraw/zinc/57/86/88/678578688.db2.gz PWEBGIGYLUIKFZ-FQUUOJAGSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222662 678578691 /nfs/dbraw/zinc/57/86/91/678578691.db2.gz PWEBGIGYLUIKFZ-FQUUOJAGSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222665 678579005 /nfs/dbraw/zinc/57/90/05/678579005.db2.gz PWEBGIGYLUIKFZ-YIYPIFLZSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222665 678579007 /nfs/dbraw/zinc/57/90/07/678579007.db2.gz PWEBGIGYLUIKFZ-YIYPIFLZSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222665 678579009 /nfs/dbraw/zinc/57/90/09/678579009.db2.gz PWEBGIGYLUIKFZ-YIYPIFLZSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222665 678579014 /nfs/dbraw/zinc/57/90/14/678579014.db2.gz PWEBGIGYLUIKFZ-YIYPIFLZSA-N 2 1 324.425 -1.029 20 0 DAADMP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628365 678642837 /nfs/dbraw/zinc/64/28/37/678642837.db2.gz BYRVMYGMSGIYAC-UHFFFAOYSA-N 2 1 313.402 -1.880 20 0 DAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057635836 678734337 /nfs/dbraw/zinc/73/43/37/678734337.db2.gz JCYDAIGQAAHTEN-CYBMUJFWSA-N 2 1 314.430 -1.173 20 0 DAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057635841 678734594 /nfs/dbraw/zinc/73/45/94/678734594.db2.gz JCYDAIGQAAHTEN-ZDUSSCGKSA-N 2 1 314.430 -1.173 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051495061 678758953 /nfs/dbraw/zinc/75/89/53/678758953.db2.gz ZDOCAHJFKJNDAU-RYUDHWBXSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495061 678758955 /nfs/dbraw/zinc/75/89/55/678758955.db2.gz ZDOCAHJFKJNDAU-RYUDHWBXSA-N 2 1 323.401 -1.379 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051933200 678779930 /nfs/dbraw/zinc/77/99/30/678779930.db2.gz FVRZDTUQNXNIIU-OLZOCXBDSA-N 2 1 321.381 -1.103 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029047 678852002 /nfs/dbraw/zinc/85/20/02/678852002.db2.gz RSIBPYMDLOIPNQ-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029047 678852007 /nfs/dbraw/zinc/85/20/07/678852007.db2.gz RSIBPYMDLOIPNQ-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029047 678852011 /nfs/dbraw/zinc/85/20/11/678852011.db2.gz RSIBPYMDLOIPNQ-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029047 678852016 /nfs/dbraw/zinc/85/20/16/678852016.db2.gz RSIBPYMDLOIPNQ-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076535 678853842 /nfs/dbraw/zinc/85/38/42/678853842.db2.gz RKFZVQVLLZLVQX-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076535 678853845 /nfs/dbraw/zinc/85/38/45/678853845.db2.gz RKFZVQVLLZLVQX-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076535 678853847 /nfs/dbraw/zinc/85/38/47/678853847.db2.gz RKFZVQVLLZLVQX-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076535 678853851 /nfs/dbraw/zinc/85/38/51/678853851.db2.gz RKFZVQVLLZLVQX-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196970 678858783 /nfs/dbraw/zinc/85/87/83/678858783.db2.gz OHPHJPUJQCTHJQ-SYQHCUMBSA-N 2 1 322.413 -1.048 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070327719 678864542 /nfs/dbraw/zinc/86/45/42/678864542.db2.gz DFZUBMZVTWSVOH-OLZOCXBDSA-N 2 1 319.369 -1.183 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070326990 678864772 /nfs/dbraw/zinc/86/47/72/678864772.db2.gz MYMADPAQPFUTNC-XQQFMLRXSA-N 2 1 308.386 -1.436 20 0 DAADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001273910064 782221721 /nfs/dbraw/zinc/22/17/21/782221721.db2.gz MDSQHQSAFSZLEH-SEUFLZDSSA-N 2 1 311.386 -1.074 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O ZINC001273909723 782222890 /nfs/dbraw/zinc/22/28/90/782222890.db2.gz KHRRSGSBUAAVEA-MVZIDQBPSA-N 2 1 318.443 -1.108 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202069169 782229192 /nfs/dbraw/zinc/22/91/92/782229192.db2.gz MMJOJIOUNBTETO-LBPRGKRZSA-N 2 1 309.370 -1.116 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114464447 782250909 /nfs/dbraw/zinc/25/09/09/782250909.db2.gz UHZWMIPANONIDA-IMRBUKKESA-N 2 1 324.425 -1.124 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114464447 782250915 /nfs/dbraw/zinc/25/09/15/782250915.db2.gz UHZWMIPANONIDA-IMRBUKKESA-N 2 1 324.425 -1.124 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001274014502 782259557 /nfs/dbraw/zinc/25/95/57/782259557.db2.gz XSESDNNGUWKYIP-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001274014502 782259565 /nfs/dbraw/zinc/25/95/65/782259565.db2.gz XSESDNNGUWKYIP-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564625 782283826 /nfs/dbraw/zinc/28/38/26/782283826.db2.gz KHMBUUDRZVXBQB-DZGCQCFKSA-N 2 1 315.414 -1.548 20 0 DAADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274565750 782284125 /nfs/dbraw/zinc/28/41/25/782284125.db2.gz UDVFNDYXDFFIAL-WFASDCNBSA-N 2 1 313.398 -1.258 20 0 DAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275105659 782302436 /nfs/dbraw/zinc/30/24/36/782302436.db2.gz WXGIELUMUIXSLG-RYUDHWBXSA-N 2 1 313.402 -1.564 20 0 DAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275105659 782302444 /nfs/dbraw/zinc/30/24/44/782302444.db2.gz WXGIELUMUIXSLG-RYUDHWBXSA-N 2 1 313.402 -1.564 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275105217 782302734 /nfs/dbraw/zinc/30/27/34/782302734.db2.gz OAVGGJOVSAXIQO-WDEREUQCSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275105217 782302742 /nfs/dbraw/zinc/30/27/42/782302742.db2.gz OAVGGJOVSAXIQO-WDEREUQCSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831583 782379591 /nfs/dbraw/zinc/37/95/91/782379591.db2.gz CTPKKRSVJDMQOB-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831583 782379599 /nfs/dbraw/zinc/37/95/99/782379599.db2.gz CTPKKRSVJDMQOB-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831583 782379610 /nfs/dbraw/zinc/37/96/10/782379610.db2.gz CTPKKRSVJDMQOB-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831583 782379615 /nfs/dbraw/zinc/37/96/15/782379615.db2.gz CTPKKRSVJDMQOB-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832718 782379718 /nfs/dbraw/zinc/37/97/18/782379718.db2.gz WSZDBEAAOGWPAK-KZWBYHQPSA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832718 782379729 /nfs/dbraw/zinc/37/97/29/782379729.db2.gz WSZDBEAAOGWPAK-KZWBYHQPSA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832718 782379739 /nfs/dbraw/zinc/37/97/39/782379739.db2.gz WSZDBEAAOGWPAK-KZWBYHQPSA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832718 782379750 /nfs/dbraw/zinc/37/97/50/782379750.db2.gz WSZDBEAAOGWPAK-KZWBYHQPSA-N 2 1 323.397 -1.288 20 0 DAADMP Cn1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(=O)n(C)c1=O ZINC001276321406 782380228 /nfs/dbraw/zinc/38/02/28/782380228.db2.gz JGOCPHCTDJISIG-UHFFFAOYSA-N 2 1 321.425 -1.094 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099986852 782523226 /nfs/dbraw/zinc/52/32/26/782523226.db2.gz QFJPHMHGGFGROT-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986358 782523979 /nfs/dbraw/zinc/52/39/79/782523979.db2.gz JKJGZJSRFOKYNB-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986358 782523989 /nfs/dbraw/zinc/52/39/89/782523989.db2.gz JKJGZJSRFOKYNB-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985272 782524485 /nfs/dbraw/zinc/52/44/85/782524485.db2.gz AKUDCPFAGJJXAB-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985272 782524495 /nfs/dbraw/zinc/52/44/95/782524495.db2.gz AKUDCPFAGJJXAB-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100036961 782533591 /nfs/dbraw/zinc/53/35/91/782533591.db2.gz QFKGWRPQGDGUKC-OLZOCXBDSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100036961 782533598 /nfs/dbraw/zinc/53/35/98/782533598.db2.gz QFKGWRPQGDGUKC-OLZOCXBDSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001100050774 782542515 /nfs/dbraw/zinc/54/25/15/782542515.db2.gz MWYTUPMGTRXTLK-KBPBESRZSA-N 2 1 315.414 -1.359 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083857 782546805 /nfs/dbraw/zinc/54/68/05/782546805.db2.gz WOYCKUGUTQMFMF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083857 782546813 /nfs/dbraw/zinc/54/68/13/782546813.db2.gz WOYCKUGUTQMFMF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083857 782546819 /nfs/dbraw/zinc/54/68/19/782546819.db2.gz WOYCKUGUTQMFMF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083857 782546824 /nfs/dbraw/zinc/54/68/24/782546824.db2.gz WOYCKUGUTQMFMF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100402405 782573661 /nfs/dbraw/zinc/57/36/61/782573661.db2.gz XJGRBKAFVRAZNK-WXRRBKDZSA-N 2 1 322.413 -1.217 20 0 DAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819633 782623348 /nfs/dbraw/zinc/62/33/48/782623348.db2.gz YAVRIEPADNVFLH-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819633 782623355 /nfs/dbraw/zinc/62/33/55/782623355.db2.gz YAVRIEPADNVFLH-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819633 782623360 /nfs/dbraw/zinc/62/33/60/782623360.db2.gz YAVRIEPADNVFLH-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819633 782623364 /nfs/dbraw/zinc/62/33/64/782623364.db2.gz YAVRIEPADNVFLH-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001115038274 782640696 /nfs/dbraw/zinc/64/06/96/782640696.db2.gz KZAOJQYFUZBOGZ-JYAVWHMHSA-N 2 1 310.398 -1.371 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001115038274 782640703 /nfs/dbraw/zinc/64/07/03/782640703.db2.gz KZAOJQYFUZBOGZ-JYAVWHMHSA-N 2 1 310.398 -1.371 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074133 782641651 /nfs/dbraw/zinc/64/16/51/782641651.db2.gz GVNNSNRRIRSBNU-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074133 782641657 /nfs/dbraw/zinc/64/16/57/782641657.db2.gz GVNNSNRRIRSBNU-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074133 782641674 /nfs/dbraw/zinc/64/16/74/782641674.db2.gz GVNNSNRRIRSBNU-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074133 782641680 /nfs/dbraw/zinc/64/16/80/782641680.db2.gz GVNNSNRRIRSBNU-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118399 782642677 /nfs/dbraw/zinc/64/26/77/782642677.db2.gz FBWIPKBWYFMGNG-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118399 782642682 /nfs/dbraw/zinc/64/26/82/782642682.db2.gz FBWIPKBWYFMGNG-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118399 782642686 /nfs/dbraw/zinc/64/26/86/782642686.db2.gz FBWIPKBWYFMGNG-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118399 782642689 /nfs/dbraw/zinc/64/26/89/782642689.db2.gz FBWIPKBWYFMGNG-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115126720 782643665 /nfs/dbraw/zinc/64/36/65/782643665.db2.gz SSOQEGBGCWNXFI-CZXHOFHRSA-N 2 1 310.398 -1.501 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115125694 782643886 /nfs/dbraw/zinc/64/38/86/782643886.db2.gz ARPZKAQIUWSRJH-NHAGDIPZSA-N 2 1 322.413 -1.097 20 0 DAADMP OC[C@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727022 /nfs/dbraw/zinc/72/70/22/782727022.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 2 1 314.426 -1.107 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)CNC1=O ZINC001118772746 782733904 /nfs/dbraw/zinc/73/39/04/782733904.db2.gz QVLZWGBOMUIHDS-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)CNC1=O ZINC001118772746 782733910 /nfs/dbraw/zinc/73/39/10/782733910.db2.gz QVLZWGBOMUIHDS-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118994267 782743492 /nfs/dbraw/zinc/74/34/92/782743492.db2.gz SBMLLTMUEHWLPW-MXWKQRLJSA-N 2 1 323.353 -1.595 20 0 DAADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118994267 782743503 /nfs/dbraw/zinc/74/35/03/782743503.db2.gz SBMLLTMUEHWLPW-MXWKQRLJSA-N 2 1 323.353 -1.595 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119294860 782751250 /nfs/dbraw/zinc/75/12/50/782751250.db2.gz LOVKXSQIXABPMN-JTQLQIEISA-N 2 1 313.402 -1.834 20 0 DAADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310006 775128312 /nfs/dbraw/zinc/12/83/12/775128312.db2.gz BSOOPXFFUGCYTF-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP CN1CCO[C@H](C(=O)N[C@@H]2CCN(CCOCCO)C2)C1 ZINC001266310006 775128316 /nfs/dbraw/zinc/12/83/16/775128316.db2.gz BSOOPXFFUGCYTF-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001266585271 775159192 /nfs/dbraw/zinc/15/91/92/775159192.db2.gz XTAZTOXWNBVHNH-AVGNSLFASA-N 2 1 301.387 -1.437 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001266585271 775159200 /nfs/dbraw/zinc/15/92/00/775159200.db2.gz XTAZTOXWNBVHNH-AVGNSLFASA-N 2 1 301.387 -1.437 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266667114 775168852 /nfs/dbraw/zinc/16/88/52/775168852.db2.gz QGINSUVCCJTAHX-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266667114 775168854 /nfs/dbraw/zinc/16/88/54/775168854.db2.gz QGINSUVCCJTAHX-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981684 775309236 /nfs/dbraw/zinc/30/92/36/775309236.db2.gz QNOPGGHKYZSOHL-NEPJUHHUSA-N 2 1 320.459 -1.028 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105327122 775309289 /nfs/dbraw/zinc/30/92/89/775309289.db2.gz SZORKLAYHJLIRX-BXUZGUMPSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327122 775309301 /nfs/dbraw/zinc/30/93/01/775309301.db2.gz SZORKLAYHJLIRX-BXUZGUMPSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327122 775309312 /nfs/dbraw/zinc/30/93/12/775309312.db2.gz SZORKLAYHJLIRX-BXUZGUMPSA-N 2 1 322.413 -1.059 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268520864 775394638 /nfs/dbraw/zinc/39/46/38/775394638.db2.gz KVBOLTWMAINANO-CDJBXZAQSA-N 2 1 301.387 -1.414 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268520864 775394651 /nfs/dbraw/zinc/39/46/51/775394651.db2.gz KVBOLTWMAINANO-CDJBXZAQSA-N 2 1 301.387 -1.414 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105372834 775406489 /nfs/dbraw/zinc/40/64/89/775406489.db2.gz ZIGOUTTUEICABE-LLVKDONJSA-N 2 1 308.386 -1.305 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105372834 775406497 /nfs/dbraw/zinc/40/64/97/775406497.db2.gz ZIGOUTTUEICABE-LLVKDONJSA-N 2 1 308.386 -1.305 20 0 DAADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268787259 775422173 /nfs/dbraw/zinc/42/21/73/775422173.db2.gz ZPGPJBBARKNFKU-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268787259 775422177 /nfs/dbraw/zinc/42/21/77/775422177.db2.gz ZPGPJBBARKNFKU-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH+](C)CCN1CCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094264 775442077 /nfs/dbraw/zinc/44/20/77/775442077.db2.gz CZOXOLURLSISQC-UHFFFAOYSA-N 2 1 314.430 -1.879 20 0 DAADMP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284877644 775488657 /nfs/dbraw/zinc/48/86/57/775488657.db2.gz HFJKDYNSQUWVOP-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272273569 775567754 /nfs/dbraw/zinc/56/77/54/775567754.db2.gz QTSNTCJMOKXEGS-XUXIUFHCSA-N 2 1 324.425 -1.185 20 0 DAADMP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C ZINC001272273569 775567759 /nfs/dbraw/zinc/56/77/59/775567759.db2.gz QTSNTCJMOKXEGS-XUXIUFHCSA-N 2 1 324.425 -1.185 20 0 DAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001272189506 775646766 /nfs/dbraw/zinc/64/67/66/775646766.db2.gz IJOBAOQAATWTME-GHMZBOCLSA-N 2 1 309.370 -1.330 20 0 DAADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272389487 775756172 /nfs/dbraw/zinc/75/61/72/775756172.db2.gz OQPHNQDTPXGTRY-CHWSQXEVSA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272389487 775756180 /nfs/dbraw/zinc/75/61/80/775756180.db2.gz OQPHNQDTPXGTRY-CHWSQXEVSA-N 2 1 303.403 -1.191 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254191 775762817 /nfs/dbraw/zinc/76/28/17/775762817.db2.gz CZMFZHJMTJNNLU-MNOVXSKESA-N 2 1 311.386 -1.239 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272534242 775770132 /nfs/dbraw/zinc/77/01/32/775770132.db2.gz GUAHJHDSLVNSRZ-HNNXBMFYSA-N 2 1 312.414 -1.061 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272534242 775770134 /nfs/dbraw/zinc/77/01/34/775770134.db2.gz GUAHJHDSLVNSRZ-HNNXBMFYSA-N 2 1 312.414 -1.061 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272566622 775777995 /nfs/dbraw/zinc/77/79/95/775777995.db2.gz ABYATGTXKIVOBD-GHMZBOCLSA-N 2 1 314.386 -1.800 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001272565351 775778105 /nfs/dbraw/zinc/77/81/05/775778105.db2.gz JPLWZOFIDTZTKH-AWEZNQCLSA-N 2 1 309.458 -1.062 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001272565354 775778601 /nfs/dbraw/zinc/77/86/01/775778601.db2.gz JPLWZOFIDTZTKH-CQSZACIVSA-N 2 1 309.458 -1.062 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001127644138 775818157 /nfs/dbraw/zinc/81/81/57/775818157.db2.gz WJVADGWHEJBIHR-GHMZBOCLSA-N 2 1 306.432 -1.418 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001124877266 775832323 /nfs/dbraw/zinc/83/23/23/775832323.db2.gz DYPZBSMUMDSYOR-NSHDSACASA-N 2 1 306.432 -1.322 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001124877259 775832410 /nfs/dbraw/zinc/83/24/10/775832410.db2.gz DYPZBSMUMDSYOR-LLVKDONJSA-N 2 1 306.432 -1.322 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001125209303 775838281 /nfs/dbraw/zinc/83/82/81/775838281.db2.gz QXSPAFVJCWRWPX-LLVKDONJSA-N 2 1 312.370 -1.828 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001125209303 775838291 /nfs/dbraw/zinc/83/82/91/775838291.db2.gz QXSPAFVJCWRWPX-LLVKDONJSA-N 2 1 312.370 -1.828 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203917 775839829 /nfs/dbraw/zinc/83/98/29/775839829.db2.gz VFQVVJJYLDCWAF-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203917 775839840 /nfs/dbraw/zinc/83/98/40/775839840.db2.gz VFQVVJJYLDCWAF-RKDXNWHRSA-N 2 1 301.347 -2.394 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC001125222365 775840373 /nfs/dbraw/zinc/84/03/73/775840373.db2.gz VGIOFNCYRFDTDN-LLVKDONJSA-N 2 1 322.431 -2.086 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC001125222365 775840375 /nfs/dbraw/zinc/84/03/75/775840375.db2.gz VGIOFNCYRFDTDN-LLVKDONJSA-N 2 1 322.431 -2.086 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001125222634 775841072 /nfs/dbraw/zinc/84/10/72/775841072.db2.gz WOLGTTNYXUNOHH-LBPRGKRZSA-N 2 1 314.386 -2.118 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001125222634 775841082 /nfs/dbraw/zinc/84/10/82/775841082.db2.gz WOLGTTNYXUNOHH-LBPRGKRZSA-N 2 1 314.386 -2.118 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125220452 775841285 /nfs/dbraw/zinc/84/12/85/775841285.db2.gz HSSJDFNKRMXGPM-RYUDHWBXSA-N 2 1 319.427 -1.543 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125220452 775841292 /nfs/dbraw/zinc/84/12/92/775841292.db2.gz HSSJDFNKRMXGPM-RYUDHWBXSA-N 2 1 319.427 -1.543 20 0 DAADMP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125227540 775841613 /nfs/dbraw/zinc/84/16/13/775841613.db2.gz VFRCIXCBRSGZBL-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125227540 775841620 /nfs/dbraw/zinc/84/16/20/775841620.db2.gz VFRCIXCBRSGZBL-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001125221146 775841633 /nfs/dbraw/zinc/84/16/33/775841633.db2.gz NMBPMUXBKDMGAY-RYUDHWBXSA-N 2 1 308.386 -1.198 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001125221146 775841639 /nfs/dbraw/zinc/84/16/39/775841639.db2.gz NMBPMUXBKDMGAY-RYUDHWBXSA-N 2 1 308.386 -1.198 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780058 775863344 /nfs/dbraw/zinc/86/33/44/775863344.db2.gz VERDFCOPPCSHMB-VXGBXAGGSA-N 2 1 319.427 -1.400 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779911 775863923 /nfs/dbraw/zinc/86/39/23/775863923.db2.gz SRHOTISEDNXAMC-QWHCGFSZSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779911 775863931 /nfs/dbraw/zinc/86/39/31/775863931.db2.gz SRHOTISEDNXAMC-QWHCGFSZSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779268 775864438 /nfs/dbraw/zinc/86/44/38/775864438.db2.gz KJGITXRFNAXTRM-VXGBXAGGSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779268 775864448 /nfs/dbraw/zinc/86/44/48/775864448.db2.gz KJGITXRFNAXTRM-VXGBXAGGSA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1 ZINC001127779327 775865000 /nfs/dbraw/zinc/86/50/00/775865000.db2.gz LGPWOCAJQIEOQF-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP CN(C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052803 776159276 /nfs/dbraw/zinc/15/92/76/776159276.db2.gz IDMQVBQMYNCVEF-BNOWGMLFSA-N 2 1 324.425 -1.280 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053912 776160337 /nfs/dbraw/zinc/16/03/37/776160337.db2.gz PEEZOAIMHXSWGO-MCIONIFRSA-N 2 1 307.398 -1.004 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053912 776160349 /nfs/dbraw/zinc/16/03/49/776160349.db2.gz PEEZOAIMHXSWGO-MCIONIFRSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053912 776160355 /nfs/dbraw/zinc/16/03/55/776160355.db2.gz PEEZOAIMHXSWGO-MCIONIFRSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053912 776160361 /nfs/dbraw/zinc/16/03/61/776160361.db2.gz PEEZOAIMHXSWGO-MCIONIFRSA-N 2 1 307.398 -1.004 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053880 776160582 /nfs/dbraw/zinc/16/05/82/776160582.db2.gz OFQQMUWSVDEGGG-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053880 776160588 /nfs/dbraw/zinc/16/05/88/776160588.db2.gz OFQQMUWSVDEGGG-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053880 776160593 /nfs/dbraw/zinc/16/05/93/776160593.db2.gz OFQQMUWSVDEGGG-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053880 776160601 /nfs/dbraw/zinc/16/06/01/776160601.db2.gz OFQQMUWSVDEGGG-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053860 776161099 /nfs/dbraw/zinc/16/10/99/776161099.db2.gz NOIFMRJSDNKMDA-XQQFMLRXSA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053860 776161107 /nfs/dbraw/zinc/16/11/07/776161107.db2.gz NOIFMRJSDNKMDA-XQQFMLRXSA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053860 776161113 /nfs/dbraw/zinc/16/11/13/776161113.db2.gz NOIFMRJSDNKMDA-XQQFMLRXSA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053860 776161120 /nfs/dbraw/zinc/16/11/20/776161120.db2.gz NOIFMRJSDNKMDA-XQQFMLRXSA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053879 776161569 /nfs/dbraw/zinc/16/15/69/776161569.db2.gz OFQQMUWSVDEGGG-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053879 776161574 /nfs/dbraw/zinc/16/15/74/776161574.db2.gz OFQQMUWSVDEGGG-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053879 776161577 /nfs/dbraw/zinc/16/15/77/776161577.db2.gz OFQQMUWSVDEGGG-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053879 776161580 /nfs/dbraw/zinc/16/15/80/776161580.db2.gz OFQQMUWSVDEGGG-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975016 776209464 /nfs/dbraw/zinc/20/94/64/776209464.db2.gz XQVYUEPEECRLFZ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975016 776209469 /nfs/dbraw/zinc/20/94/69/776209469.db2.gz XQVYUEPEECRLFZ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099987215 776216259 /nfs/dbraw/zinc/21/62/59/776216259.db2.gz WMAAGMAXEAXQBM-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099987215 776216267 /nfs/dbraw/zinc/21/62/67/776216267.db2.gz WMAAGMAXEAXQBM-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099986932 776217261 /nfs/dbraw/zinc/21/72/61/776217261.db2.gz RJDCZCVEDHXLNE-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001273358975 776219878 /nfs/dbraw/zinc/21/98/78/776219878.db2.gz PYHFXJQRTSXSMW-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001273358975 776219885 /nfs/dbraw/zinc/21/98/85/776219885.db2.gz PYHFXJQRTSXSMW-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086052460 776237388 /nfs/dbraw/zinc/23/73/88/776237388.db2.gz LAOSETBQHJSXAT-RNJOBUHISA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086052460 776237389 /nfs/dbraw/zinc/23/73/89/776237389.db2.gz LAOSETBQHJSXAT-RNJOBUHISA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086052462 776237458 /nfs/dbraw/zinc/23/74/58/776237458.db2.gz LAOSETBQHJSXAT-YVECIDJPSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086052462 776237461 /nfs/dbraw/zinc/23/74/61/776237461.db2.gz LAOSETBQHJSXAT-YVECIDJPSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091893 776239781 /nfs/dbraw/zinc/23/97/81/776239781.db2.gz RNWMVADBWKKROY-RNJOBUHISA-N 2 1 310.398 -1.181 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001100050775 776252599 /nfs/dbraw/zinc/25/25/99/776252599.db2.gz MWYTUPMGTRXTLK-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086431713 776261965 /nfs/dbraw/zinc/26/19/65/776261965.db2.gz AWXTVWIYMPQGFQ-RYMLTCQSSA-N 2 1 322.409 -1.181 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108343657 776278004 /nfs/dbraw/zinc/27/80/04/776278004.db2.gz WXPWAHSSUKVUMA-AWEZNQCLSA-N 2 1 303.403 -1.236 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108343657 776278010 /nfs/dbraw/zinc/27/80/10/776278010.db2.gz WXPWAHSSUKVUMA-AWEZNQCLSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129337372 776295091 /nfs/dbraw/zinc/29/50/91/776295091.db2.gz FHHCRVRKNUXNCK-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129337372 776295098 /nfs/dbraw/zinc/29/50/98/776295098.db2.gz FHHCRVRKNUXNCK-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386071 776328737 /nfs/dbraw/zinc/32/87/37/776328737.db2.gz JSNOYQZOCZPGJH-CHWSQXEVSA-N 2 1 313.402 -1.474 20 0 DAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129385023 776329037 /nfs/dbraw/zinc/32/90/37/776329037.db2.gz CLXHQRPDSXCNPK-GFCCVEGCSA-N 2 1 310.402 -1.393 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129384960 776329104 /nfs/dbraw/zinc/32/91/04/776329104.db2.gz BHDGUJQZCAYYHM-LBPRGKRZSA-N 2 1 310.402 -1.345 20 0 DAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001129385474 776329894 /nfs/dbraw/zinc/32/98/94/776329894.db2.gz FHXUJUDNULDPHR-NWDGAFQWSA-N 2 1 310.402 -1.217 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001129386879 776331343 /nfs/dbraw/zinc/33/13/43/776331343.db2.gz QOEXPQBQNVCKJN-CYBMUJFWSA-N 2 1 320.401 -1.189 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387486 776331633 /nfs/dbraw/zinc/33/16/33/776331633.db2.gz VGUNGMQMZFORMS-NEPJUHHUSA-N 2 1 310.402 -1.346 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387316 776332457 /nfs/dbraw/zinc/33/24/57/776332457.db2.gz UEZYMYAOUGMCTC-CYBMUJFWSA-N 2 1 320.401 -1.152 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100131429 776337948 /nfs/dbraw/zinc/33/79/48/776337948.db2.gz CUMCNSLSTOGIIM-UONOGXRCSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100131429 776337951 /nfs/dbraw/zinc/33/79/51/776337951.db2.gz CUMCNSLSTOGIIM-UONOGXRCSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100131430 776338130 /nfs/dbraw/zinc/33/81/30/776338130.db2.gz CUMCNSLSTOGIIM-ZIAGYGMSSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100131430 776338139 /nfs/dbraw/zinc/33/81/39/776338139.db2.gz CUMCNSLSTOGIIM-ZIAGYGMSSA-N 2 1 317.430 -1.113 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416291 776468931 /nfs/dbraw/zinc/46/89/31/776468931.db2.gz GLZOIJFHRAGFSX-SECBINFHSA-N 2 1 308.342 -1.339 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001114298565 776469619 /nfs/dbraw/zinc/46/96/19/776469619.db2.gz MPNRONTVLBDRQU-YFVNTRNASA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001114298565 776469622 /nfs/dbraw/zinc/46/96/22/776469622.db2.gz MPNRONTVLBDRQU-YFVNTRNASA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114298565 776469625 /nfs/dbraw/zinc/46/96/25/776469625.db2.gz MPNRONTVLBDRQU-YFVNTRNASA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114298565 776469628 /nfs/dbraw/zinc/46/96/28/776469628.db2.gz MPNRONTVLBDRQU-YFVNTRNASA-N 2 1 323.397 -1.432 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416292 776469748 /nfs/dbraw/zinc/46/97/48/776469748.db2.gz GLZOIJFHRAGFSX-VIFPVBQESA-N 2 1 308.342 -1.339 20 0 DAADMP C[N@@H+](CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001129535452 776474395 /nfs/dbraw/zinc/47/43/95/776474395.db2.gz SHWGPOZMXKJCJQ-UHFFFAOYSA-N 2 1 311.386 -1.272 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123462 776495359 /nfs/dbraw/zinc/49/53/59/776495359.db2.gz SBXUVEUJSLXQJF-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130137071 776495411 /nfs/dbraw/zinc/49/54/11/776495411.db2.gz HSYYHEPLJHBTLW-OLZOCXBDSA-N 2 1 310.402 -1.048 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186930 776496804 /nfs/dbraw/zinc/49/68/04/776496804.db2.gz MMEFVKVQOHKPFP-WDEREUQCSA-N 2 1 311.386 -1.096 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130182448 776496848 /nfs/dbraw/zinc/49/68/48/776496848.db2.gz IDELNNNQDQSLAX-GRYCIOLGSA-N 2 1 300.403 -1.112 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130182448 776496857 /nfs/dbraw/zinc/49/68/57/776496857.db2.gz IDELNNNQDQSLAX-GRYCIOLGSA-N 2 1 300.403 -1.112 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130186696 776497614 /nfs/dbraw/zinc/49/76/14/776497614.db2.gz JSHXCIXCJXAGGD-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130186696 776497619 /nfs/dbraw/zinc/49/76/19/776497619.db2.gz JSHXCIXCJXAGGD-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130303896 776500860 /nfs/dbraw/zinc/50/08/60/776500860.db2.gz NJKBHHVONTWQQF-NSHDSACASA-N 2 1 306.432 -1.274 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520472 776573210 /nfs/dbraw/zinc/57/32/10/776573210.db2.gz YXBDVTXLVNIMMM-GLWUULTISA-N 2 1 320.397 -1.116 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)NC1CC1 ZINC001131520504 776573313 /nfs/dbraw/zinc/57/33/13/776573313.db2.gz ZVHOLAWLMUOTSY-RYCVTPFZSA-N 2 1 322.409 -1.166 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519486 776574827 /nfs/dbraw/zinc/57/48/27/776574827.db2.gz GTAXUOXIWVAUFM-MQYJIDSJSA-N 2 1 310.398 -1.309 20 0 DAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131521533 776575143 /nfs/dbraw/zinc/57/51/43/776575143.db2.gz ANKWMBQVYXAHCI-WULFKBJJSA-N 2 1 322.409 -1.214 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519426 776575188 /nfs/dbraw/zinc/57/51/88/776575188.db2.gz FETZJAHCEVZWRQ-DNCHLWJUSA-N 2 1 313.398 -1.437 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001132858653 776643006 /nfs/dbraw/zinc/64/30/06/776643006.db2.gz DKRKTLTWUCPLBT-GFCCVEGCSA-N 2 1 321.443 -1.154 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001132858654 776643385 /nfs/dbraw/zinc/64/33/85/776643385.db2.gz DKRKTLTWUCPLBT-LBPRGKRZSA-N 2 1 321.443 -1.154 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132848368 776643731 /nfs/dbraw/zinc/64/37/31/776643731.db2.gz GPTBYVHYICJRSR-GFCCVEGCSA-N 2 1 300.403 -1.110 20 0 DAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001133004697 776649204 /nfs/dbraw/zinc/64/92/04/776649204.db2.gz HRIJAIPIDQSWHN-JTQLQIEISA-N 2 1 322.369 -1.345 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133845341 776678495 /nfs/dbraw/zinc/67/84/95/776678495.db2.gz BWMWCJQUESDZRA-NSHDSACASA-N 2 1 311.386 -1.414 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001133850669 776678665 /nfs/dbraw/zinc/67/86/65/776678665.db2.gz PLJGLNMTIYMQMK-NSHDSACASA-N 2 1 306.432 -1.417 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850123 776680559 /nfs/dbraw/zinc/68/05/59/776680559.db2.gz JIXIWWWABGPEOE-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133863512 776681596 /nfs/dbraw/zinc/68/15/96/776681596.db2.gz MXQYEVXIZWYRSV-WDEREUQCSA-N 2 1 311.386 -1.558 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(=O)N(C)C ZINC001135352518 776752058 /nfs/dbraw/zinc/75/20/58/776752058.db2.gz FZAZDGPNPNHAAU-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135352876 776753103 /nfs/dbraw/zinc/75/31/03/776753103.db2.gz WZBFWKFXIZIUQQ-NSHDSACASA-N 2 1 312.370 -1.780 20 0 DAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352897 776753341 /nfs/dbraw/zinc/75/33/41/776753341.db2.gz YMQLLJLXMACOHH-UHFFFAOYSA-N 2 1 322.431 -2.036 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCN1CCNC1=O ZINC001135352529 776753497 /nfs/dbraw/zinc/75/34/97/776753497.db2.gz GBDPOHYXXUFHBH-UHFFFAOYSA-N 2 1 313.402 -1.560 20 0 DAADMP COC(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c(S(N)(=O)=O)c1 ZINC001170898759 776781648 /nfs/dbraw/zinc/78/16/48/776781648.db2.gz VIFYJWOWDHMPPN-SECBINFHSA-N 2 1 317.371 -1.049 20 0 DAADMP COC(=O)CNC(=O)CNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001170943974 776783828 /nfs/dbraw/zinc/78/38/28/776783828.db2.gz QPKQRCRPOSFFJH-UHFFFAOYSA-N 2 1 308.342 -1.413 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731954 776836625 /nfs/dbraw/zinc/83/66/25/776836625.db2.gz YSJODWIAPFJIIQ-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731954 776836633 /nfs/dbraw/zinc/83/66/33/776836633.db2.gz YSJODWIAPFJIIQ-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292606699 777937521 /nfs/dbraw/zinc/93/75/21/777937521.db2.gz BFRSLOJHIGXJSN-LBPRGKRZSA-N 2 1 310.398 -1.355 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292606699 777937523 /nfs/dbraw/zinc/93/75/23/777937523.db2.gz BFRSLOJHIGXJSN-LBPRGKRZSA-N 2 1 310.398 -1.355 20 0 DAADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119618340 779508620 /nfs/dbraw/zinc/50/86/20/779508620.db2.gz HEBBCEDGLUORIV-STQMWFEESA-N 2 1 311.430 -1.406 20 0 DAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCCCN1CCCC1=O ZINC001119617627 779509570 /nfs/dbraw/zinc/50/95/70/779509570.db2.gz SJRQCAWRKXBPCC-UHFFFAOYSA-N 2 1 311.430 -1.390 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001120420644 779519895 /nfs/dbraw/zinc/51/98/95/779519895.db2.gz MVWOZBRVBFNRSY-LPWJVIDDSA-N 2 1 310.398 -1.181 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001120514989 779523437 /nfs/dbraw/zinc/52/34/37/779523437.db2.gz MBGXGEVKWUQCCG-QWHCGFSZSA-N 2 1 311.430 -1.454 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001121916386 779551281 /nfs/dbraw/zinc/55/12/81/779551281.db2.gz XJNLVCNXVWGUOQ-OLZOCXBDSA-N 2 1 311.430 -1.406 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001121916385 779552094 /nfs/dbraw/zinc/55/20/94/779552094.db2.gz XJNLVCNXVWGUOQ-CHWSQXEVSA-N 2 1 311.430 -1.406 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121974264 779553012 /nfs/dbraw/zinc/55/30/12/779553012.db2.gz HWNGZBYZZAUYEQ-LBPRGKRZSA-N 2 1 310.398 -1.355 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001124867166 779604716 /nfs/dbraw/zinc/60/47/16/779604716.db2.gz STVTUHLWQRLTIX-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125204324 779608188 /nfs/dbraw/zinc/60/81/88/779608188.db2.gz ZOAGWZBNEQCGNR-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125204324 779608191 /nfs/dbraw/zinc/60/81/91/779608191.db2.gz ZOAGWZBNEQCGNR-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125204323 779608301 /nfs/dbraw/zinc/60/83/01/779608301.db2.gz ZOAGWZBNEQCGNR-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125204323 779608303 /nfs/dbraw/zinc/60/83/03/779608303.db2.gz ZOAGWZBNEQCGNR-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001125220891 779609244 /nfs/dbraw/zinc/60/92/44/779609244.db2.gz MCVBJQAARZQIMO-SNVBAGLBSA-N 2 1 308.404 -2.428 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001125220891 779609246 /nfs/dbraw/zinc/60/92/46/779609246.db2.gz MCVBJQAARZQIMO-SNVBAGLBSA-N 2 1 308.404 -2.428 20 0 DAADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213656 779609367 /nfs/dbraw/zinc/60/93/67/779609367.db2.gz KIIDJPSKWHYCQG-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213656 779609371 /nfs/dbraw/zinc/60/93/71/779609371.db2.gz KIIDJPSKWHYCQG-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150461435 779660162 /nfs/dbraw/zinc/66/01/62/779660162.db2.gz DBBJOSBTPGTKAV-AWEZNQCLSA-N 2 1 315.414 -1.092 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150461435 779660165 /nfs/dbraw/zinc/66/01/65/779660165.db2.gz DBBJOSBTPGTKAV-AWEZNQCLSA-N 2 1 315.414 -1.092 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150461436 779660937 /nfs/dbraw/zinc/66/09/37/779660937.db2.gz DBBJOSBTPGTKAV-CQSZACIVSA-N 2 1 315.414 -1.092 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150461436 779660943 /nfs/dbraw/zinc/66/09/43/779660943.db2.gz DBBJOSBTPGTKAV-CQSZACIVSA-N 2 1 315.414 -1.092 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049620 779669052 /nfs/dbraw/zinc/66/90/52/779669052.db2.gz UPXRZFGYXRRLAB-LBPRGKRZSA-N 2 1 300.403 -1.203 20 0 DAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065642 779671003 /nfs/dbraw/zinc/67/10/03/779671003.db2.gz LTKOJBXYRPCGMK-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151122945 779671274 /nfs/dbraw/zinc/67/12/74/779671274.db2.gz XHNIXKKIFRDSAE-UHFFFAOYSA-N 2 1 303.388 -1.553 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151049817 779671396 /nfs/dbraw/zinc/67/13/96/779671396.db2.gz ZMCWQVLUAGTWAB-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065641 779671511 /nfs/dbraw/zinc/67/15/11/779671511.db2.gz LTKOJBXYRPCGMK-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151121136 779671555 /nfs/dbraw/zinc/67/15/55/779671555.db2.gz BLTFYQDCGMGIBT-UHFFFAOYSA-N 2 1 322.369 -1.161 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151056520 779671615 /nfs/dbraw/zinc/67/16/15/779671615.db2.gz NRWWOJBVHVATIX-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151146953 779672611 /nfs/dbraw/zinc/67/26/11/779672611.db2.gz ANXDWQUTJNBAPD-UHFFFAOYSA-N 2 1 309.370 -1.244 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151739764 779683226 /nfs/dbraw/zinc/68/32/26/779683226.db2.gz NEYYVVMDTRGSQH-QWRGUYRKSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151739764 779683233 /nfs/dbraw/zinc/68/32/33/779683233.db2.gz NEYYVVMDTRGSQH-QWRGUYRKSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151738460 779683321 /nfs/dbraw/zinc/68/33/21/779683321.db2.gz IHZXTOMKFWCLQG-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151738460 779683326 /nfs/dbraw/zinc/68/33/26/779683326.db2.gz IHZXTOMKFWCLQG-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151740896 779683585 /nfs/dbraw/zinc/68/35/85/779683585.db2.gz ZEVOSBQYYKFZRY-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151740896 779683586 /nfs/dbraw/zinc/68/35/86/779683586.db2.gz ZEVOSBQYYKFZRY-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151740405 779684017 /nfs/dbraw/zinc/68/40/17/779684017.db2.gz SHVTWOACDBMDKM-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001151740405 779684019 /nfs/dbraw/zinc/68/40/19/779684019.db2.gz SHVTWOACDBMDKM-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151738458 779684134 /nfs/dbraw/zinc/68/41/34/779684134.db2.gz IHZXTOMKFWCLQG-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001151738458 779684137 /nfs/dbraw/zinc/68/41/37/779684137.db2.gz IHZXTOMKFWCLQG-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151736914 779684156 /nfs/dbraw/zinc/68/41/56/779684156.db2.gz ARFATVDPWRPCMR-SECBINFHSA-N 2 1 301.347 -2.392 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151736914 779684161 /nfs/dbraw/zinc/68/41/61/779684161.db2.gz ARFATVDPWRPCMR-SECBINFHSA-N 2 1 301.347 -2.392 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001151739320 779684365 /nfs/dbraw/zinc/68/43/65/779684365.db2.gz KKPRRNRTJCABMY-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001151739320 779684374 /nfs/dbraw/zinc/68/43/74/779684374.db2.gz KKPRRNRTJCABMY-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP C[NH+]1CCN(c2nccc(N(CC[NH3+])S(C)(=O)=O)n2)CC1 ZINC001154770603 779725472 /nfs/dbraw/zinc/72/54/72/779725472.db2.gz DPDQJOWMFAJOMX-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999857 779728455 /nfs/dbraw/zinc/72/84/55/779728455.db2.gz QEVJTZRYKNSMGD-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999857 779728456 /nfs/dbraw/zinc/72/84/56/779728456.db2.gz QEVJTZRYKNSMGD-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001156124998 779738786 /nfs/dbraw/zinc/73/87/86/779738786.db2.gz DRUJROXELNSTAS-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001156124998 779738788 /nfs/dbraw/zinc/73/87/88/779738788.db2.gz DRUJROXELNSTAS-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1nnn2c1C[NH2+]CC2 ZINC001157355751 779752172 /nfs/dbraw/zinc/75/21/72/779752172.db2.gz VVMFEOPOEFKIDF-VIFPVBQESA-N 2 1 309.374 -1.645 20 0 DAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H](N)CN2CCC([NH3+])CC2)n[nH]1 ZINC001157440413 779754882 /nfs/dbraw/zinc/75/48/82/779754882.db2.gz WBCOGDJJRBUVOC-SNVBAGLBSA-N 2 1 308.390 -1.305 20 0 DAADMP CS(=O)(=O)c1nc2c(c(-n3cnc(C[NH3+])n3)n1)CC[NH2+]CC2 ZINC001157926288 779761349 /nfs/dbraw/zinc/76/13/49/779761349.db2.gz FFRHINLWFNWVIF-UHFFFAOYSA-N 2 1 323.382 -1.392 20 0 DAADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158112509 779767968 /nfs/dbraw/zinc/76/79/68/779767968.db2.gz YYRVAZSOBJUXHR-CJNGLKHVSA-N 2 1 317.393 -1.051 20 0 DAADMP C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)COCC[NH2+]1 ZINC001158118905 779768447 /nfs/dbraw/zinc/76/84/47/779768447.db2.gz DSMRHTDSPXLAPA-UKRRQHHQSA-N 2 1 308.382 -1.697 20 0 DAADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158338864 779773668 /nfs/dbraw/zinc/77/36/68/779773668.db2.gz FXEQZSPNJOIXEH-ZDUSSCGKSA-N 2 1 305.382 -1.024 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001158381123 779775602 /nfs/dbraw/zinc/77/56/02/779775602.db2.gz YJZPDBGCPYDHKB-VXGBXAGGSA-N 2 1 320.459 -1.028 20 0 DAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001158496155 779776516 /nfs/dbraw/zinc/77/65/16/779776516.db2.gz KNAWXSOOKZPCEX-OSYQSDCSSA-N 2 1 322.409 -1.040 20 0 DAADMP COCC[NH+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001158603088 779778260 /nfs/dbraw/zinc/77/82/60/779778260.db2.gz FMXBLDRGZXQNSE-UHFFFAOYSA-N 2 1 322.431 -2.003 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001158890172 779781415 /nfs/dbraw/zinc/78/14/15/779781415.db2.gz AZYWLKXCQVTWBP-CHWSQXEVSA-N 2 1 324.425 -1.088 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272598 779791636 /nfs/dbraw/zinc/79/16/36/779791636.db2.gz MJVCWINPQURATM-TUAOUCFPSA-N 2 1 306.370 -1.431 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001159875835 779796797 /nfs/dbraw/zinc/79/67/97/779796797.db2.gz BZWSSRVUOKIHPO-NWDGAFQWSA-N 2 1 310.402 -1.217 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159877968 779797269 /nfs/dbraw/zinc/79/72/69/779797269.db2.gz UFRGSROLBAPVQK-QWHCGFSZSA-N 2 1 322.413 -1.202 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159877966 779797463 /nfs/dbraw/zinc/79/74/63/779797463.db2.gz UFRGSROLBAPVQK-OLZOCXBDSA-N 2 1 322.413 -1.202 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159877965 779797717 /nfs/dbraw/zinc/79/77/17/779797717.db2.gz UFRGSROLBAPVQK-CHWSQXEVSA-N 2 1 322.413 -1.202 20 0 DAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159876182 779797952 /nfs/dbraw/zinc/79/79/52/779797952.db2.gz GVFDDJUNBLJBEP-CYBMUJFWSA-N 2 1 324.429 -1.003 20 0 DAADMP CS(=O)(=O)N1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160432524 779806563 /nfs/dbraw/zinc/80/65/63/779806563.db2.gz ZHMINJXZOOFZIW-UHFFFAOYSA-N 2 1 304.416 -1.568 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]1C2 ZINC001160795013 779819709 /nfs/dbraw/zinc/81/97/09/779819709.db2.gz TUHRIRJECSXFMD-TVEHIPJCSA-N 3 1 310.398 -1.480 20 0 DAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160838808 779821624 /nfs/dbraw/zinc/82/16/24/779821624.db2.gz MAFWNCOXUHGIQO-ZIAGYGMSSA-N 2 1 313.446 -1.474 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915512 779823224 /nfs/dbraw/zinc/82/32/24/779823224.db2.gz BSNBGCMAGRGHLH-CYBMUJFWSA-N 2 1 319.413 -1.468 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)CC1 ZINC001161377591 779835446 /nfs/dbraw/zinc/83/54/46/779835446.db2.gz IBYQPPNEFFKKKV-CYUUQNCZSA-N 3 1 307.442 -1.040 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C2)CC1 ZINC001161380355 779835528 /nfs/dbraw/zinc/83/55/28/779835528.db2.gz UXVRGGTVTPAKCQ-JSGCOSHPSA-N 3 1 321.425 -1.512 20 0 DAADMP NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378279 779835707 /nfs/dbraw/zinc/83/57/07/779835707.db2.gz LPEVKIDMMDGJKV-QWHCGFSZSA-N 3 1 311.430 -1.007 20 0 DAADMP NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378284 779836174 /nfs/dbraw/zinc/83/61/74/779836174.db2.gz LPEVKIDMMDGJKV-STQMWFEESA-N 3 1 311.430 -1.007 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C2)CC1 ZINC001161380356 779836359 /nfs/dbraw/zinc/83/63/59/779836359.db2.gz UXVRGGTVTPAKCQ-OCCSQVGLSA-N 3 1 321.425 -1.512 20 0 DAADMP C[N@@H+](C1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1 ZINC001161499100 779840517 /nfs/dbraw/zinc/84/05/17/779840517.db2.gz NRHSDTAIDDAKDK-AAEUAGOBSA-N 2 1 310.398 -1.752 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162445575 779857977 /nfs/dbraw/zinc/85/79/77/779857977.db2.gz FNITYTCOPIZDJB-MJBXVCDLSA-N 2 1 320.401 -1.896 20 0 DAADMP [NH3+][C@@H]1NCN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162445693 779858078 /nfs/dbraw/zinc/85/80/78/779858078.db2.gz GLCUXVCTPLPBPS-XQQFMLRXSA-N 2 1 309.805 -1.122 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2NCN[C@H]21 ZINC001162447283 779859712 /nfs/dbraw/zinc/85/97/12/779859712.db2.gz LQANDLMCQUURTA-BFHYXJOUSA-N 2 1 304.402 -2.012 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001162611533 779861943 /nfs/dbraw/zinc/86/19/43/779861943.db2.gz LKEAOLDLKUNEKE-UHFFFAOYSA-N 2 1 317.415 -1.163 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001162646262 779862028 /nfs/dbraw/zinc/86/20/28/779862028.db2.gz DEXURFZNHGDEBP-JTQLQIEISA-N 2 1 310.358 -1.129 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708782 779891746 /nfs/dbraw/zinc/89/17/46/779891746.db2.gz WAMRILRHZLLRMD-WDEREUQCSA-N 2 1 313.402 -1.264 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001166707251 779891811 /nfs/dbraw/zinc/89/18/11/779891811.db2.gz FBBVFOXUUCGTHM-QWRGUYRKSA-N 2 1 310.402 -1.098 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166691819 779892057 /nfs/dbraw/zinc/89/20/57/779892057.db2.gz NXGUCKDSHNRYJD-NEPJUHHUSA-N 2 1 320.459 -1.171 20 0 DAADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001206739921 779910889 /nfs/dbraw/zinc/91/08/89/779910889.db2.gz WSWIRRZIESHKIH-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207683989 779923327 /nfs/dbraw/zinc/92/33/27/779923327.db2.gz JCDPMRNJWCNATF-WDEREUQCSA-N 2 1 311.386 -1.144 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734169 779924332 /nfs/dbraw/zinc/92/43/32/779924332.db2.gz DQQTYKNCBKBPJO-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734169 779924336 /nfs/dbraw/zinc/92/43/36/779924336.db2.gz DQQTYKNCBKBPJO-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001207733862 779925115 /nfs/dbraw/zinc/92/51/15/779925115.db2.gz ABZFFRMKQWYVBX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001207733862 779925123 /nfs/dbraw/zinc/92/51/23/779925123.db2.gz ABZFFRMKQWYVBX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001210033549 779958803 /nfs/dbraw/zinc/95/88/03/779958803.db2.gz SYGKMUXVQFWMLV-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210033549 779958806 /nfs/dbraw/zinc/95/88/06/779958806.db2.gz SYGKMUXVQFWMLV-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210033549 779958810 /nfs/dbraw/zinc/95/88/10/779958810.db2.gz SYGKMUXVQFWMLV-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210033549 779958814 /nfs/dbraw/zinc/95/88/14/779958814.db2.gz SYGKMUXVQFWMLV-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210033549 779958818 /nfs/dbraw/zinc/95/88/18/779958818.db2.gz SYGKMUXVQFWMLV-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330039 779961605 /nfs/dbraw/zinc/96/16/05/779961605.db2.gz MPCCNTVWXFTSFN-GHMZBOCLSA-N 2 1 323.397 -1.286 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330039 779961608 /nfs/dbraw/zinc/96/16/08/779961608.db2.gz MPCCNTVWXFTSFN-GHMZBOCLSA-N 2 1 323.397 -1.286 20 0 DAADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315609 779961933 /nfs/dbraw/zinc/96/19/33/779961933.db2.gz SUOJYYBKZQQRHK-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315609 779961938 /nfs/dbraw/zinc/96/19/38/779961938.db2.gz SUOJYYBKZQQRHK-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211065748 779966580 /nfs/dbraw/zinc/96/65/80/779966580.db2.gz ZDLWAZXCYAUUIA-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378235 779976443 /nfs/dbraw/zinc/97/64/43/779976443.db2.gz IIBXKVGVPPTDKQ-JHJVBQTASA-N 2 1 303.403 -1.239 20 0 DAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857809 779984873 /nfs/dbraw/zinc/98/48/73/779984873.db2.gz XHBIMJJPHBYXCU-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857809 779984884 /nfs/dbraw/zinc/98/48/84/779984884.db2.gz XHBIMJJPHBYXCU-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857809 779984891 /nfs/dbraw/zinc/98/48/91/779984891.db2.gz XHBIMJJPHBYXCU-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214335943 779993979 /nfs/dbraw/zinc/99/39/79/779993979.db2.gz OJZWVNAKVZTFPG-MXWKQRLJSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214335942 779993999 /nfs/dbraw/zinc/99/39/99/779993999.db2.gz OJZWVNAKVZTFPG-GMTAPVOTSA-N 2 1 311.386 -1.288 20 0 DAADMP [NH3+]CCOCCOCCOCCO[C@@H]1C[N@H+]2C[C@H]1NCC2 ZINC001217803620 780027874 /nfs/dbraw/zinc/02/78/74/780027874.db2.gz FVVYXORSXOHGLP-ZIAGYGMSSA-N 2 1 303.403 -1.333 20 0 DAADMP [NH3+]CCOCCOCCOCCO[C@@H]1CN2C[C@H]1[NH2+]CC2 ZINC001217803620 780027881 /nfs/dbraw/zinc/02/78/81/780027881.db2.gz FVVYXORSXOHGLP-ZIAGYGMSSA-N 2 1 303.403 -1.333 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]C[C@H]3O)cn2)CC1 ZINC001218579564 780034440 /nfs/dbraw/zinc/03/44/40/780034440.db2.gz FQDDUVLIZZVAPF-VXGBXAGGSA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@]3(N)CC[NH2+]C3)ncn2)CC1 ZINC001218572204 780034543 /nfs/dbraw/zinc/03/45/43/780034543.db2.gz GREIOGOMRRVERX-CQSZACIVSA-N 2 1 305.386 -1.142 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ncn2)CC1 ZINC001218573411 780035340 /nfs/dbraw/zinc/03/53/40/780035340.db2.gz WUECBEVBROEGKZ-GHMZBOCLSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]CCN3)cn2)CC1 ZINC001218580561 780035612 /nfs/dbraw/zinc/03/56/12/780035612.db2.gz RSSLZAXXRGPKIN-LBPRGKRZSA-N 2 1 305.386 -1.272 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3O)cn2)CC1 ZINC001218579561 780035835 /nfs/dbraw/zinc/03/58/35/780035835.db2.gz FQDDUVLIZZVAPF-NEPJUHHUSA-N 2 1 306.370 -1.253 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640213 780036897 /nfs/dbraw/zinc/03/68/97/780036897.db2.gz GQACAJZRVKSHGH-ZDUSSCGKSA-N 2 1 307.402 -1.284 20 0 DAADMP CSc1n[nH]c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O ZINC001218639226 780037036 /nfs/dbraw/zinc/03/70/36/780037036.db2.gz ZUHIWYOFVZQPBX-ZCFIWIBFSA-N 2 1 310.383 -1.022 20 0 DAADMP O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219618158 780125632 /nfs/dbraw/zinc/12/56/32/780125632.db2.gz WXJCXQMMOLWMCT-ZMJPVWNMSA-N 2 1 300.378 -1.636 20 0 DAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676125 780130378 /nfs/dbraw/zinc/13/03/78/780130378.db2.gz ADULBLQZAPUTPU-SNVBAGLBSA-N 3 1 307.420 -2.596 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671599 780130754 /nfs/dbraw/zinc/13/07/54/780130754.db2.gz KUWZGAKKAHPUPO-QWRGUYRKSA-N 2 1 304.416 -1.960 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001219676757 780132015 /nfs/dbraw/zinc/13/20/15/780132015.db2.gz WLYHRUONTMQBHS-DGCLKSJQSA-N 2 1 316.427 -1.663 20 0 DAADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676733 780132042 /nfs/dbraw/zinc/13/20/42/780132042.db2.gz VBZUXMBURDEZJJ-VXGBXAGGSA-N 2 1 318.443 -1.417 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12C[C@@H]1CC[NH2+]2 ZINC001219678201 780132073 /nfs/dbraw/zinc/13/20/73/780132073.db2.gz GZPGCXOFSCDDJQ-CMPLNLGQSA-N 2 1 302.400 -1.910 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001219676535 780132095 /nfs/dbraw/zinc/13/20/95/780132095.db2.gz OBVJYFSBHMIJLQ-ZYHUDNBSSA-N 2 1 318.399 -2.532 20 0 DAADMP [NH3+][C@@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC001219678186 780132139 /nfs/dbraw/zinc/13/21/39/780132139.db2.gz GJCXUHBSTQGMMT-NSHDSACASA-N 2 1 304.416 -1.535 20 0 DAADMP O=C(CC1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676560 780132168 /nfs/dbraw/zinc/13/21/68/780132168.db2.gz OXWFLVPMMJOTCJ-UHFFFAOYSA-N 2 1 318.443 -1.273 20 0 DAADMP C[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219678209 780132326 /nfs/dbraw/zinc/13/23/26/780132326.db2.gz HIZNAJXEJYVOPN-GFCCVEGCSA-N 2 1 304.416 -1.663 20 0 DAADMP O=C(C[C@@H]1CCC[NH2+]C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676449 780132338 /nfs/dbraw/zinc/13/23/38/780132338.db2.gz KUXOHOTUAVQOMU-LBPRGKRZSA-N 2 1 318.443 -1.273 20 0 DAADMP [NH3+]C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC001219676435 780133057 /nfs/dbraw/zinc/13/30/57/780133057.db2.gz KKIWFQCPXQEJSX-UHFFFAOYSA-N 2 1 304.416 -1.391 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219678615 780134065 /nfs/dbraw/zinc/13/40/65/780134065.db2.gz WJDAANKTACTDFK-ZJUUUORDSA-N 2 1 306.388 -3.082 20 0 DAADMP N[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001219678498 780134183 /nfs/dbraw/zinc/13/41/83/780134183.db2.gz QSRCWYQEAYITEF-GFCCVEGCSA-N 2 1 319.431 -2.582 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219678612 780134289 /nfs/dbraw/zinc/13/42/89/780134289.db2.gz WJDAANKTACTDFK-NXEZZACHSA-N 2 1 306.388 -3.082 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739043 780141800 /nfs/dbraw/zinc/14/18/00/780141800.db2.gz GABSUDSSXCRTKH-OLZOCXBDSA-N 2 1 311.430 -1.769 20 0 DAADMP O=C(NCc1nnc2n1CCCNC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219748993 780143220 /nfs/dbraw/zinc/14/32/20/780143220.db2.gz GSPBSCGEIPYYMH-JTQLQIEISA-N 2 1 305.386 -1.803 20 0 DAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765094 780144290 /nfs/dbraw/zinc/14/42/90/780144290.db2.gz UTEXHURFZLIUGY-GRYCIOLGSA-N 2 1 312.418 -1.828 20 0 DAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765094 780144294 /nfs/dbraw/zinc/14/42/94/780144294.db2.gz UTEXHURFZLIUGY-GRYCIOLGSA-N 2 1 312.418 -1.828 20 0 DAADMP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764234 780144500 /nfs/dbraw/zinc/14/45/00/780144500.db2.gz BHGFUOJWUPDLPH-XBFCOCLRSA-N 2 1 306.414 -1.300 20 0 DAADMP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764234 780144504 /nfs/dbraw/zinc/14/45/04/780144504.db2.gz BHGFUOJWUPDLPH-XBFCOCLRSA-N 2 1 306.414 -1.300 20 0 DAADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766602 780146970 /nfs/dbraw/zinc/14/69/70/780146970.db2.gz XYFSWFLOSQJWRH-XJFOESAGSA-N 2 1 324.425 -1.205 20 0 DAADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766602 780146974 /nfs/dbraw/zinc/14/69/74/780146974.db2.gz XYFSWFLOSQJWRH-XJFOESAGSA-N 2 1 324.425 -1.205 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802653 780147450 /nfs/dbraw/zinc/14/74/50/780147450.db2.gz YUQRVYWFUNFSSL-XQQFMLRXSA-N 2 1 315.414 -1.361 20 0 DAADMP O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1nnn2c1C[NH2+]CC2 ZINC001219803549 780148387 /nfs/dbraw/zinc/14/83/87/780148387.db2.gz XDQNBVAXVPPXBK-JTQLQIEISA-N 2 1 306.370 -1.120 20 0 DAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219802808 780148891 /nfs/dbraw/zinc/14/88/91/780148891.db2.gz CSGMGKGTMPIAHB-NSHDSACASA-N 3 1 308.386 -1.581 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219806271 780149681 /nfs/dbraw/zinc/14/96/81/780149681.db2.gz PXYGCXUZLJLAHO-WDEREUQCSA-N 2 1 307.354 -2.067 20 0 DAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808131 780150123 /nfs/dbraw/zinc/15/01/23/780150123.db2.gz UWKYAPHBYMIYOQ-QWRGUYRKSA-N 2 1 306.370 -2.101 20 0 DAADMP N[C@@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C1 ZINC001219806222 780150248 /nfs/dbraw/zinc/15/02/48/780150248.db2.gz OMGUXFWJKJSKIY-AWEZNQCLSA-N 2 1 306.370 -1.956 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CC[C@H]1O ZINC001219806427 780150264 /nfs/dbraw/zinc/15/02/64/780150264.db2.gz VYGJJLOTZBUDGD-NWDGAFQWSA-N 2 1 321.381 -1.677 20 0 DAADMP NC1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]CC1 ZINC001219805648 780150380 /nfs/dbraw/zinc/15/03/80/780150380.db2.gz BJXGUUVOFXDAPN-UHFFFAOYSA-N 2 1 320.397 -1.566 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219805751 780150579 /nfs/dbraw/zinc/15/05/79/780150579.db2.gz RCHGBJOZDSRCBH-HZSPNIEDSA-N 2 1 322.413 -1.220 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219805751 780150583 /nfs/dbraw/zinc/15/05/83/780150583.db2.gz RCHGBJOZDSRCBH-HZSPNIEDSA-N 2 1 322.413 -1.220 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814128 780151115 /nfs/dbraw/zinc/15/11/15/780151115.db2.gz UCOGAIJTRUJWFX-MJBXVCDLSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814128 780151118 /nfs/dbraw/zinc/15/11/18/780151118.db2.gz UCOGAIJTRUJWFX-MJBXVCDLSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814128 780151122 /nfs/dbraw/zinc/15/11/22/780151122.db2.gz UCOGAIJTRUJWFX-MJBXVCDLSA-N 2 1 315.414 -1.361 20 0 DAADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815726 780152423 /nfs/dbraw/zinc/15/24/23/780152423.db2.gz HETGPJYFGMVORB-KGLIPLIRSA-N 2 1 322.413 -1.076 20 0 DAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815726 780152428 /nfs/dbraw/zinc/15/24/28/780152428.db2.gz HETGPJYFGMVORB-KGLIPLIRSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815726 780152436 /nfs/dbraw/zinc/15/24/36/780152436.db2.gz HETGPJYFGMVORB-KGLIPLIRSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815726 780152442 /nfs/dbraw/zinc/15/24/42/780152442.db2.gz HETGPJYFGMVORB-KGLIPLIRSA-N 2 1 322.413 -1.076 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814379 780152606 /nfs/dbraw/zinc/15/26/06/780152606.db2.gz BNEUUYIUGSKBAW-LNSITVRQSA-N 2 1 311.430 -1.911 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833342 780153564 /nfs/dbraw/zinc/15/35/64/780153564.db2.gz CCQDRARTRBEHJU-CORIIIEPSA-N 2 1 323.397 -1.209 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833347 780153777 /nfs/dbraw/zinc/15/37/77/780153777.db2.gz CCQDRARTRBEHJU-OSAQELSMSA-N 2 1 323.397 -1.209 20 0 DAADMP C[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)COCC[NH2+]1 ZINC001219838208 780154639 /nfs/dbraw/zinc/15/46/39/780154639.db2.gz ORGNFNKKPNWAFO-NWANDNLSSA-N 2 1 313.398 -1.124 20 0 DAADMP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]Cc3ccnn32)CC[NH2+]CC1 ZINC001219998991 780169477 /nfs/dbraw/zinc/16/94/77/780169477.db2.gz HKJVWDGBILDFOW-NSHDSACASA-N 2 1 307.354 -1.061 20 0 DAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220045421 780174070 /nfs/dbraw/zinc/17/40/70/780174070.db2.gz YSXSFVHBOAETFP-GFCCVEGCSA-N 2 1 307.402 -1.480 20 0 DAADMP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220140970 780184376 /nfs/dbraw/zinc/18/43/76/780184376.db2.gz DINXUWVYSHCPBJ-IJLUTSLNSA-N 2 1 318.443 -1.571 20 0 DAADMP C[N@H+]1CCC[C@H]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220252059 780196710 /nfs/dbraw/zinc/19/67/10/780196710.db2.gz MZTOZYCMMICAJO-NSHDSACASA-N 2 1 306.432 -1.193 20 0 DAADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220275311 780198700 /nfs/dbraw/zinc/19/87/00/780198700.db2.gz TWLWJGVKUUODRJ-UPJWGTAASA-N 2 1 312.414 -1.280 20 0 DAADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220275311 780198704 /nfs/dbraw/zinc/19/87/04/780198704.db2.gz TWLWJGVKUUODRJ-UPJWGTAASA-N 2 1 312.414 -1.280 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001220303912 780200430 /nfs/dbraw/zinc/20/04/30/780200430.db2.gz IUDPNQKOGIFUGN-GFCCVEGCSA-N 2 1 314.434 -1.484 20 0 DAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1c[nH]nn1 ZINC001220329353 780202889 /nfs/dbraw/zinc/20/28/89/780202889.db2.gz NDWHTDOSQBTQJR-RYUDHWBXSA-N 2 1 323.401 -1.132 20 0 DAADMP COC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220575107 780229536 /nfs/dbraw/zinc/22/95/36/780229536.db2.gz GFXWCZTUPPLJDM-SNVBAGLBSA-N 2 1 315.374 -2.858 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220584654 780232265 /nfs/dbraw/zinc/23/22/65/780232265.db2.gz FMACEDDQTBVOKC-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220584654 780232270 /nfs/dbraw/zinc/23/22/70/780232270.db2.gz FMACEDDQTBVOKC-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642484 780237502 /nfs/dbraw/zinc/23/75/02/780237502.db2.gz DCHJVDMAGASTGH-BNOWGMLFSA-N 2 1 315.414 -1.361 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220755567 780243688 /nfs/dbraw/zinc/24/36/88/780243688.db2.gz QOHRDTONVCEQLX-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220755567 780243692 /nfs/dbraw/zinc/24/36/92/780243692.db2.gz QOHRDTONVCEQLX-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220755567 780243697 /nfs/dbraw/zinc/24/36/97/780243697.db2.gz QOHRDTONVCEQLX-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220764294 780245002 /nfs/dbraw/zinc/24/50/02/780245002.db2.gz GDVLUBUEDRYBLC-OLZOCXBDSA-N 2 1 319.402 -2.265 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220764294 780245009 /nfs/dbraw/zinc/24/50/09/780245009.db2.gz GDVLUBUEDRYBLC-OLZOCXBDSA-N 2 1 319.402 -2.265 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806410 780248824 /nfs/dbraw/zinc/24/88/24/780248824.db2.gz BQGYCJMPYHSOGN-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001220831353 780249902 /nfs/dbraw/zinc/24/99/02/780249902.db2.gz WMXSPTLIOHMYMU-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220831353 780249907 /nfs/dbraw/zinc/24/99/07/780249907.db2.gz WMXSPTLIOHMYMU-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220831353 780249909 /nfs/dbraw/zinc/24/99/09/780249909.db2.gz WMXSPTLIOHMYMU-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220831353 780249915 /nfs/dbraw/zinc/24/99/15/780249915.db2.gz WMXSPTLIOHMYMU-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220828854 780250026 /nfs/dbraw/zinc/25/00/26/780250026.db2.gz FTMNRPQTRPUYMR-TUAOUCFPSA-N 2 1 300.403 -1.376 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830803 780251489 /nfs/dbraw/zinc/25/14/89/780251489.db2.gz JABPRTLAJUYBGF-AGIUHOORSA-N 2 1 312.414 -1.280 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001220872190 780254097 /nfs/dbraw/zinc/25/40/97/780254097.db2.gz NQHFSJMLVLXFTP-NSHDSACASA-N 2 1 306.370 -1.850 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001220872189 780254809 /nfs/dbraw/zinc/25/48/09/780254809.db2.gz NQHFSJMLVLXFTP-LLVKDONJSA-N 2 1 306.370 -1.850 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220874374 780254897 /nfs/dbraw/zinc/25/48/97/780254897.db2.gz HQQYZOCFQWJHGM-KGLIPLIRSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001220872166 780254954 /nfs/dbraw/zinc/25/49/54/780254954.db2.gz MQVREGSHSXBPCO-IUODEOHRSA-N 2 1 310.398 -1.307 20 0 DAADMP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)N(O)N=O ZINC001220900229 780256088 /nfs/dbraw/zinc/25/60/88/780256088.db2.gz DUTKBPKKKATMRB-VIFPVBQESA-N 2 1 300.323 -2.056 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220981545 780266423 /nfs/dbraw/zinc/26/64/23/780266423.db2.gz WSHCYDSBDFEQLO-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089523 780275680 /nfs/dbraw/zinc/27/56/80/780275680.db2.gz JUHNQGHTQUSWDN-UPJWGTAASA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089523 780275683 /nfs/dbraw/zinc/27/56/83/780275683.db2.gz JUHNQGHTQUSWDN-UPJWGTAASA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089523 780275688 /nfs/dbraw/zinc/27/56/88/780275688.db2.gz JUHNQGHTQUSWDN-UPJWGTAASA-N 2 1 303.403 -1.505 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266884 780288178 /nfs/dbraw/zinc/28/81/78/780288178.db2.gz YYBRLDAYJKBHFN-KXUCPTDWSA-N 2 1 321.407 -4.274 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@H]2NCN[C@H]21 ZINC001221266477 780288456 /nfs/dbraw/zinc/28/84/56/780288456.db2.gz WHUBNWAJQSEKHM-RKQHYHRCSA-N 2 1 323.445 -2.421 20 0 DAADMP C[NH2+][C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)[C@@H](C)OC(C)(C)C ZINC001221265830 780288516 /nfs/dbraw/zinc/28/85/16/780288516.db2.gz QDEYFCCTLFUUAK-CSYMLDBXSA-N 2 1 314.434 -1.703 20 0 DAADMP O=C1NCC[C@]12CN(Cc1cnc3n1CC[NH2+]C3)CC21C[NH2+]C1 ZINC001222527699 780311798 /nfs/dbraw/zinc/31/17/98/780311798.db2.gz PMBZNFFERAOSLG-INIZCTEOSA-N 2 1 316.409 -1.102 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048599 780360915 /nfs/dbraw/zinc/36/09/15/780360915.db2.gz JDKKIGODPYHXAN-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230262596 780362406 /nfs/dbraw/zinc/36/24/06/780362406.db2.gz IQTWPURRGUJIEF-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230262596 780362417 /nfs/dbraw/zinc/36/24/17/780362417.db2.gz IQTWPURRGUJIEF-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)nc2n1CC[NH2+]C2 ZINC001235872020 780420338 /nfs/dbraw/zinc/42/03/38/780420338.db2.gz VJXIDJWWYGZRPF-UHFFFAOYSA-N 3 1 307.446 -1.429 20 0 DAADMP [NH3+]CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001238123703 780435149 /nfs/dbraw/zinc/43/51/49/780435149.db2.gz RXGGWZRZFQZJDY-UHFFFAOYSA-N 2 1 300.406 -2.901 20 0 DAADMP C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)CC[NH3+])CC2)CC1 ZINC001239090654 780442465 /nfs/dbraw/zinc/44/24/65/780442465.db2.gz KZOMYANVEKZMAC-UHFFFAOYSA-N 2 1 318.443 -1.239 20 0 DAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ncc[nH]1 ZINC001239131344 780443981 /nfs/dbraw/zinc/44/39/81/780443981.db2.gz MOZDPTIWAGZCMH-UHFFFAOYSA-N 2 1 318.403 -1.786 20 0 DAADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001239131090 780444043 /nfs/dbraw/zinc/44/40/43/780444043.db2.gz ZORDKBIZOJQQKY-GARJFASQSA-N 2 1 305.400 -1.110 20 0 DAADMP OC[C@H]1C[NH2+]C[C@@H]1NC(=S)NCCC[NH+]1CCOCC1 ZINC001239378495 780444719 /nfs/dbraw/zinc/44/47/19/780444719.db2.gz RIHWVHKVQMELQI-NEPJUHHUSA-N 2 1 302.444 -1.247 20 0 DAADMP O=c1cc(CNC[C@]2(O)CCC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001245987294 780447550 /nfs/dbraw/zinc/44/75/50/780447550.db2.gz YQBNLNKSNKCBSO-HNNXBMFYSA-N 2 1 307.398 -1.059 20 0 DAADMP O=S(=O)(CC[NH2+]CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001245990340 780448066 /nfs/dbraw/zinc/44/80/66/780448066.db2.gz IKAKBGRMCREUQQ-UHFFFAOYSA-N 3 1 306.432 -2.075 20 0 DAADMP O[C@H](C[N@H+]1CCNC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033314 780448092 /nfs/dbraw/zinc/44/80/92/780448092.db2.gz UZNJLJXMITVXPA-AWEZNQCLSA-N 3 1 312.458 -1.121 20 0 DAADMP COC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039479 780448178 /nfs/dbraw/zinc/44/81/78/780448178.db2.gz MWWGFWOEGWJEHI-VXGBXAGGSA-N 2 1 301.387 -1.701 20 0 DAADMP COC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)C[NH+]1CCOCC1 ZINC001245977532 780448192 /nfs/dbraw/zinc/44/81/92/780448192.db2.gz GTIFKHOHWRXKEG-OLZOCXBDSA-N 2 1 303.403 -1.060 20 0 DAADMP O=C1C[NH2+]CCN1CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246008651 780448260 /nfs/dbraw/zinc/44/82/60/780448260.db2.gz DIIPAYVWLJQBBE-LBPRGKRZSA-N 3 1 300.403 -2.127 20 0 DAADMP COC(=O)[C@@]1(N)CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056435 780449826 /nfs/dbraw/zinc/44/98/26/780449826.db2.gz VPGUEGDCPBYALS-BXUZGUMPSA-N 2 1 301.387 -1.572 20 0 DAADMP O=C([C@@H]1C[C@H](NCCC2(O)C[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246109223 780451248 /nfs/dbraw/zinc/45/12/48/780451248.db2.gz ADDPUFGHAMMBIA-QWRGUYRKSA-N 2 1 300.428 -1.436 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628581 780455431 /nfs/dbraw/zinc/45/54/31/780455431.db2.gz ODJSSINIICMUKW-FIXISWKDSA-N 2 1 308.382 -1.699 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628600 780455452 /nfs/dbraw/zinc/45/54/52/780455452.db2.gz ODJSSINIICMUKW-ZIBATOQPSA-N 2 1 308.382 -1.699 20 0 DAADMP O=C1NCC[C@]12C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246626029 780455774 /nfs/dbraw/zinc/45/57/74/780455774.db2.gz JDTABDVXZZCNLV-WBMJQRKESA-N 3 1 305.426 -1.508 20 0 DAADMP O=C1NCC[C@@]12C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246631306 780455799 /nfs/dbraw/zinc/45/57/99/780455799.db2.gz WEWDYDVWKABRBI-MLGOLLRUSA-N 3 1 306.410 -1.081 20 0 DAADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246761882 780456582 /nfs/dbraw/zinc/45/65/82/780456582.db2.gz WNFZWYZMQDWQQK-CZUORRHYSA-N 2 1 321.425 -1.497 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670073 780456980 /nfs/dbraw/zinc/45/69/80/780456980.db2.gz WCUQXADBOZIBAL-VNHYZAJKSA-N 2 1 313.398 -1.029 20 0 DAADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773317 780457069 /nfs/dbraw/zinc/45/70/69/780457069.db2.gz AOUUCWPEPRYYBW-NWDGAFQWSA-N 2 1 310.398 -1.166 20 0 DAADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773317 780457072 /nfs/dbraw/zinc/45/70/72/780457072.db2.gz AOUUCWPEPRYYBW-NWDGAFQWSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C([C@@H]1C[C@H](N2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246671648 780457120 /nfs/dbraw/zinc/45/71/20/780457120.db2.gz HAWVRGJNGQTDCD-RNJOBUHISA-N 2 1 312.439 -1.078 20 0 DAADMP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960865 780458626 /nfs/dbraw/zinc/45/86/26/780458626.db2.gz OQWFXKXGGCUFJP-STQMWFEESA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960865 780458631 /nfs/dbraw/zinc/45/86/31/780458631.db2.gz OQWFXKXGGCUFJP-STQMWFEESA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1 ZINC001278766325 780483430 /nfs/dbraw/zinc/48/34/30/780483430.db2.gz IVIGRIJZQJOTCY-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766325 780483436 /nfs/dbraw/zinc/48/34/36/780483436.db2.gz IVIGRIJZQJOTCY-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766325 780483439 /nfs/dbraw/zinc/48/34/39/780483439.db2.gz IVIGRIJZQJOTCY-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCS(=O)(=O)C1 ZINC001254318291 780485327 /nfs/dbraw/zinc/48/53/27/780485327.db2.gz WBBOXDKAVBJVSQ-BDAKNGLRSA-N 2 1 306.388 -1.432 20 0 DAADMP CS(=O)(=O)N1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001257225557 780512909 /nfs/dbraw/zinc/51/29/09/780512909.db2.gz QNJNHBNHIGMHAJ-UHFFFAOYSA-N 2 1 323.459 -1.323 20 0 DAADMP O=C(NCCCCn1ccnc1)C(=O)NC[C@@H]1COCCN1 ZINC001261819169 780558501 /nfs/dbraw/zinc/55/85/01/780558501.db2.gz RRTFYEFGGJCRDS-GFCCVEGCSA-N 2 1 309.370 -1.116 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001261821767 780559550 /nfs/dbraw/zinc/55/95/50/780559550.db2.gz JVXOPJOZXBYXQM-CHWSQXEVSA-N 2 1 313.446 -1.208 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001261821769 780560259 /nfs/dbraw/zinc/56/02/59/780560259.db2.gz JVXOPJOZXBYXQM-QWHCGFSZSA-N 2 1 313.446 -1.208 20 0 DAADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001262109666 780566590 /nfs/dbraw/zinc/56/65/90/780566590.db2.gz BKZDEWJZPACHRA-UHFFFAOYSA-N 2 1 309.418 -1.119 20 0 DAADMP CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC001262194889 780568566 /nfs/dbraw/zinc/56/85/66/780568566.db2.gz HHLURPZLLCFZHZ-CQSZACIVSA-N 2 1 311.430 -1.392 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C ZINC001262262392 780569571 /nfs/dbraw/zinc/56/95/71/780569571.db2.gz NDKWJPUFQOXZDO-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001262262392 780569574 /nfs/dbraw/zinc/56/95/74/780569574.db2.gz NDKWJPUFQOXZDO-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001262262392 780569583 /nfs/dbraw/zinc/56/95/83/780569583.db2.gz NDKWJPUFQOXZDO-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001262262392 780569599 /nfs/dbraw/zinc/56/95/99/780569599.db2.gz NDKWJPUFQOXZDO-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262545993 780573819 /nfs/dbraw/zinc/57/38/19/780573819.db2.gz MYFXMGUXWQHUEZ-UONOGXRCSA-N 2 1 324.425 -1.088 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264970510 780588214 /nfs/dbraw/zinc/58/82/14/780588214.db2.gz URQJUWGOUILAJW-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001264970510 780588220 /nfs/dbraw/zinc/58/82/20/780588220.db2.gz URQJUWGOUILAJW-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001264970510 780588224 /nfs/dbraw/zinc/58/82/24/780588224.db2.gz URQJUWGOUILAJW-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP C[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001265249969 780595665 /nfs/dbraw/zinc/59/56/65/780595665.db2.gz URVKNIIHBITCGI-CYBMUJFWSA-N 2 1 313.446 -1.064 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265571576 780604759 /nfs/dbraw/zinc/60/47/59/780604759.db2.gz TXAJIGITWYAMLX-MJBXVCDLSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265571576 780604766 /nfs/dbraw/zinc/60/47/66/780604766.db2.gz TXAJIGITWYAMLX-MJBXVCDLSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265571575 780605035 /nfs/dbraw/zinc/60/50/35/780605035.db2.gz TXAJIGITWYAMLX-HZSPNIEDSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001265571575 780605039 /nfs/dbraw/zinc/60/50/39/780605039.db2.gz TXAJIGITWYAMLX-HZSPNIEDSA-N 2 1 315.414 -1.047 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966884 780616372 /nfs/dbraw/zinc/61/63/72/780616372.db2.gz INWTYWXPPCJUHL-UONOGXRCSA-N 2 1 315.414 -1.236 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966884 780616376 /nfs/dbraw/zinc/61/63/76/780616376.db2.gz INWTYWXPPCJUHL-UONOGXRCSA-N 2 1 315.414 -1.236 20 0 DAADMP Cn1cc(C[NH2+]CCN(CCO)C(=O)C[NH+]2CCCC2)nn1 ZINC001279901831 780630014 /nfs/dbraw/zinc/63/00/14/780630014.db2.gz UBBWEYWMLXJZAE-UHFFFAOYSA-N 2 1 310.402 -1.179 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC)C1 ZINC001279911519 780630165 /nfs/dbraw/zinc/63/01/65/780630165.db2.gz JWZXIUPSDHFWQS-LBPRGKRZSA-N 2 1 316.402 -2.136 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC)C1 ZINC001279911519 780630168 /nfs/dbraw/zinc/63/01/68/780630168.db2.gz JWZXIUPSDHFWQS-LBPRGKRZSA-N 2 1 316.402 -2.136 20 0 DAADMP C[NH+](C)CCOCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282945806 780725348 /nfs/dbraw/zinc/72/53/48/780725348.db2.gz CLQALCUVYVHYCY-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+](CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001283376843 780758080 /nfs/dbraw/zinc/75/80/80/780758080.db2.gz HTSVPRMSQGWAMJ-ZDUSSCGKSA-N 2 1 312.414 -1.122 20 0 DAADMP C[N@@H+](CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001283376843 780758090 /nfs/dbraw/zinc/75/80/90/780758090.db2.gz HTSVPRMSQGWAMJ-ZDUSSCGKSA-N 2 1 312.414 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171216911 781385971 /nfs/dbraw/zinc/38/59/71/781385971.db2.gz KXIXZVREXPSZGY-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719295 781420219 /nfs/dbraw/zinc/42/02/19/781420219.db2.gz OUHXQTTTYPIRKL-UHFFFAOYSA-N 2 1 301.391 -1.120 20 0 DAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]21 ZINC001161081415 781460380 /nfs/dbraw/zinc/46/03/80/781460380.db2.gz JNFVSAFPXRGXTE-VXGBXAGGSA-N 2 1 318.443 -1.241 20 0 DAADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605384 781475247 /nfs/dbraw/zinc/47/52/47/781475247.db2.gz QJCHEJRLIGNWQS-UHFFFAOYSA-N 2 1 312.414 -1.155 20 0 DAADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605384 781475252 /nfs/dbraw/zinc/47/52/52/781475252.db2.gz QJCHEJRLIGNWQS-UHFFFAOYSA-N 2 1 312.414 -1.155 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148577799 781475842 /nfs/dbraw/zinc/47/58/42/781475842.db2.gz DMJSDPXLEHIZMS-UHFFFAOYSA-N 2 1 308.448 -1.027 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001148656250 781476114 /nfs/dbraw/zinc/47/61/14/781476114.db2.gz XYRAYTNNVXMITB-SNVBAGLBSA-N 2 1 301.391 -1.122 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001148638789 781476598 /nfs/dbraw/zinc/47/65/98/781476598.db2.gz RQUQDMMQCWJYKU-UHFFFAOYSA-N 2 1 301.391 -1.120 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523069 781501147 /nfs/dbraw/zinc/50/11/47/781501147.db2.gz ZNRVUMLERJCYGF-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523069 781501153 /nfs/dbraw/zinc/50/11/53/781501153.db2.gz ZNRVUMLERJCYGF-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523069 781501158 /nfs/dbraw/zinc/50/11/58/781501158.db2.gz ZNRVUMLERJCYGF-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523069 781501164 /nfs/dbraw/zinc/50/11/64/781501164.db2.gz ZNRVUMLERJCYGF-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110746 781589246 /nfs/dbraw/zinc/58/92/46/781589246.db2.gz OJIVZDTXVVXDIY-QIQOKXGGSA-N 2 1 316.398 -1.609 20 0 DAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110746 781589249 /nfs/dbraw/zinc/58/92/49/781589249.db2.gz OJIVZDTXVVXDIY-QIQOKXGGSA-N 2 1 316.398 -1.609 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176147049 781613347 /nfs/dbraw/zinc/61/33/47/781613347.db2.gz HBLHUELTTZYMKG-UHFFFAOYSA-N 2 1 322.369 -1.161 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001176072544 781614145 /nfs/dbraw/zinc/61/41/45/781614145.db2.gz XVBNTGOGGVXQHM-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176146562 781614183 /nfs/dbraw/zinc/61/41/83/781614183.db2.gz DIHCROZYEARNFG-VIFPVBQESA-N 2 1 310.358 -1.129 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176635665 781620274 /nfs/dbraw/zinc/62/02/74/781620274.db2.gz DRLIINPSKGQKGH-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001176635665 781620280 /nfs/dbraw/zinc/62/02/80/781620280.db2.gz DRLIINPSKGQKGH-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176627042 781620711 /nfs/dbraw/zinc/62/07/11/781620711.db2.gz GURYHOISHSFBNZ-ZDUSSCGKSA-N 2 1 303.403 -1.188 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176627042 781620712 /nfs/dbraw/zinc/62/07/12/781620712.db2.gz GURYHOISHSFBNZ-ZDUSSCGKSA-N 2 1 303.403 -1.188 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180135168 781666801 /nfs/dbraw/zinc/66/68/01/781666801.db2.gz BFLCIJZPWSPSHU-ONGXEEELSA-N 2 1 322.369 -1.035 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151066571 781693677 /nfs/dbraw/zinc/69/36/77/781693677.db2.gz WMMINEKGYLWNDN-CHWSQXEVSA-N 2 1 312.414 -1.203 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151066573 781693711 /nfs/dbraw/zinc/69/37/11/781693711.db2.gz WMMINEKGYLWNDN-QWHCGFSZSA-N 2 1 312.414 -1.203 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183250056 781723450 /nfs/dbraw/zinc/72/34/50/781723450.db2.gz YNNVHYCQPVGXON-CHWSQXEVSA-N 2 1 322.413 -1.250 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)O1 ZINC001183577113 781726971 /nfs/dbraw/zinc/72/69/71/781726971.db2.gz ZQOFCCKACBOSLJ-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)O1 ZINC001183577113 781726979 /nfs/dbraw/zinc/72/69/79/781726979.db2.gz ZQOFCCKACBOSLJ-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184433795 781747573 /nfs/dbraw/zinc/74/75/73/781747573.db2.gz NHHCXZGUBUTACZ-WULFKBJJSA-N 2 1 322.409 -1.214 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001185267542 781756814 /nfs/dbraw/zinc/75/68/14/781756814.db2.gz ULHFUEWMYLSZKN-SNVBAGLBSA-N 2 1 303.367 -2.103 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185659935 781763870 /nfs/dbraw/zinc/76/38/70/781763870.db2.gz UDVWYKSSTOVOCJ-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)Cn1c[nH+]cc1C ZINC001273514159 781772435 /nfs/dbraw/zinc/77/24/35/781772435.db2.gz UMCAZHHZLJGXAU-UHFFFAOYSA-N 2 1 310.358 -1.175 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001187982062 781812309 /nfs/dbraw/zinc/81/23/09/781812309.db2.gz DSVGLDYJJKXUJW-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001187982062 781812319 /nfs/dbraw/zinc/81/23/19/781812319.db2.gz DSVGLDYJJKXUJW-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001187982061 781812885 /nfs/dbraw/zinc/81/28/85/781812885.db2.gz DSVGLDYJJKXUJW-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001187982061 781812893 /nfs/dbraw/zinc/81/28/93/781812893.db2.gz DSVGLDYJJKXUJW-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151749429 781837317 /nfs/dbraw/zinc/83/73/17/781837317.db2.gz XYFSPMMRFOXWFM-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151749429 781837324 /nfs/dbraw/zinc/83/73/24/781837324.db2.gz XYFSPMMRFOXWFM-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390513 781837513 /nfs/dbraw/zinc/83/75/13/781837513.db2.gz RJURFCYPYSPSLC-MNOVXSKESA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390513 781837519 /nfs/dbraw/zinc/83/75/19/781837519.db2.gz RJURFCYPYSPSLC-MNOVXSKESA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390513 781837525 /nfs/dbraw/zinc/83/75/25/781837525.db2.gz RJURFCYPYSPSLC-MNOVXSKESA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390513 781837527 /nfs/dbraw/zinc/83/75/27/781837527.db2.gz RJURFCYPYSPSLC-MNOVXSKESA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203699835 781837760 /nfs/dbraw/zinc/83/77/60/781837760.db2.gz UTFBFJXCZPZYBK-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001189515625 781843756 /nfs/dbraw/zinc/84/37/56/781843756.db2.gz AFTSYZVITRFROE-ZIAGYGMSSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515625 781843768 /nfs/dbraw/zinc/84/37/68/781843768.db2.gz AFTSYZVITRFROE-ZIAGYGMSSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515625 781843781 /nfs/dbraw/zinc/84/37/81/781843781.db2.gz AFTSYZVITRFROE-ZIAGYGMSSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515625 781843788 /nfs/dbraw/zinc/84/37/88/781843788.db2.gz AFTSYZVITRFROE-ZIAGYGMSSA-N 2 1 315.414 -1.141 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189515755 781844641 /nfs/dbraw/zinc/84/46/41/781844641.db2.gz BPYUBEJJUDOBSE-STQMWFEESA-N 2 1 312.414 -1.062 20 0 DAADMP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001189515621 781844879 /nfs/dbraw/zinc/84/48/79/781844879.db2.gz AFTSYZVITRFROE-KGLIPLIRSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515621 781844902 /nfs/dbraw/zinc/84/49/02/781844902.db2.gz AFTSYZVITRFROE-KGLIPLIRSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515621 781844916 /nfs/dbraw/zinc/84/49/16/781844916.db2.gz AFTSYZVITRFROE-KGLIPLIRSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515621 781844927 /nfs/dbraw/zinc/84/49/27/781844927.db2.gz AFTSYZVITRFROE-KGLIPLIRSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148734 781862858 /nfs/dbraw/zinc/86/28/58/781862858.db2.gz JJWDAMZZLULNEP-QJPTWQEYSA-N 2 1 323.397 -1.334 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148734 781862867 /nfs/dbraw/zinc/86/28/67/781862867.db2.gz JJWDAMZZLULNEP-QJPTWQEYSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148734 781862877 /nfs/dbraw/zinc/86/28/77/781862877.db2.gz JJWDAMZZLULNEP-QJPTWQEYSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148734 781862888 /nfs/dbraw/zinc/86/28/88/781862888.db2.gz JJWDAMZZLULNEP-QJPTWQEYSA-N 2 1 323.397 -1.334 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376917751 921745505 /nfs/dbraw/zinc/74/55/05/921745505.db2.gz DOKOSAWHRKLWMM-QWRGUYRKSA-N 2 1 311.386 -1.416 20 0 DAADMP CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001377179926 921780517 /nfs/dbraw/zinc/78/05/17/921780517.db2.gz GFWFSPLTBNVURK-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001377179926 921780523 /nfs/dbraw/zinc/78/05/23/921780523.db2.gz GFWFSPLTBNVURK-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377257377 921793808 /nfs/dbraw/zinc/79/38/08/921793808.db2.gz HZLYZZPNEUPDMJ-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001377257377 921793819 /nfs/dbraw/zinc/79/38/19/921793819.db2.gz HZLYZZPNEUPDMJ-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP C[NH+](C)Cc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001187302456 916152515 /nfs/dbraw/zinc/15/25/15/916152515.db2.gz QZKJKDNUBBIFPE-RDBSUJKOSA-N 2 1 304.398 -1.119 20 0 DAADMP CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001316766059 916222089 /nfs/dbraw/zinc/22/20/89/916222089.db2.gz GPXPBQNHVZYMKT-LBPRGKRZSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001316766059 916222109 /nfs/dbraw/zinc/22/21/09/916222109.db2.gz GPXPBQNHVZYMKT-LBPRGKRZSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001316766059 916222130 /nfs/dbraw/zinc/22/21/30/916222130.db2.gz GPXPBQNHVZYMKT-LBPRGKRZSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316766059 916222147 /nfs/dbraw/zinc/22/21/47/916222147.db2.gz GPXPBQNHVZYMKT-LBPRGKRZSA-N 2 1 300.403 -1.170 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001317068071 916264250 /nfs/dbraw/zinc/26/42/50/916264250.db2.gz PLPDNMNWIISWOB-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001317068071 916264269 /nfs/dbraw/zinc/26/42/69/916264269.db2.gz PLPDNMNWIISWOB-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236162 916277281 /nfs/dbraw/zinc/27/72/81/916277281.db2.gz WMLWNOXYDSGPEY-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236162 916277299 /nfs/dbraw/zinc/27/72/99/916277299.db2.gz WMLWNOXYDSGPEY-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236157 916277607 /nfs/dbraw/zinc/27/76/07/916277607.db2.gz WMLWNOXYDSGPEY-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236157 916277627 /nfs/dbraw/zinc/27/76/27/916277627.db2.gz WMLWNOXYDSGPEY-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578062 916325484 /nfs/dbraw/zinc/32/54/84/916325484.db2.gz FEWPPFKAIKOLGU-GFCCVEGCSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578062 916325505 /nfs/dbraw/zinc/32/55/05/916325505.db2.gz FEWPPFKAIKOLGU-GFCCVEGCSA-N 2 1 300.403 -1.110 20 0 DAADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578234 916325682 /nfs/dbraw/zinc/32/56/82/916325682.db2.gz IGVGWMMXPNFKMU-GFCCVEGCSA-N 2 1 313.402 -1.610 20 0 DAADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578234 916325702 /nfs/dbraw/zinc/32/57/02/916325702.db2.gz IGVGWMMXPNFKMU-GFCCVEGCSA-N 2 1 313.402 -1.610 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317572409 916328102 /nfs/dbraw/zinc/32/81/02/916328102.db2.gz FEFPUVPPOHKYBR-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001317589627 916329755 /nfs/dbraw/zinc/32/97/55/916329755.db2.gz RGIWAZWWDMZVTE-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320249250 916488405 /nfs/dbraw/zinc/48/84/05/916488405.db2.gz IUDUCFIXEFVKFC-WDEREUQCSA-N 2 1 323.353 -1.937 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320249247 916488548 /nfs/dbraw/zinc/48/85/48/916488548.db2.gz IUDUCFIXEFVKFC-GHMZBOCLSA-N 2 1 323.353 -1.937 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010967 916540876 /nfs/dbraw/zinc/54/08/76/916540876.db2.gz MWWIACRIPUHPIP-XQJDBVBESA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010967 916540889 /nfs/dbraw/zinc/54/08/89/916540889.db2.gz MWWIACRIPUHPIP-XQJDBVBESA-N 2 1 310.398 -1.142 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001321294473 916558218 /nfs/dbraw/zinc/55/82/18/916558218.db2.gz PAEHCYHXOJJYCW-UIIMQBOASA-N 2 1 310.398 -1.141 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322451995 916635732 /nfs/dbraw/zinc/63/57/32/916635732.db2.gz JGEPMUIJEPNFOU-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322451995 916635740 /nfs/dbraw/zinc/63/57/40/916635740.db2.gz JGEPMUIJEPNFOU-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001323293878 916711864 /nfs/dbraw/zinc/71/18/64/916711864.db2.gz QAHLSCRHVKSPKZ-LLVKDONJSA-N 2 1 311.386 -1.320 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001323293878 916711875 /nfs/dbraw/zinc/71/18/75/916711875.db2.gz QAHLSCRHVKSPKZ-LLVKDONJSA-N 2 1 311.386 -1.320 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001324992758 916803641 /nfs/dbraw/zinc/80/36/41/916803641.db2.gz BJEJHWJNUGRDRX-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001324992758 916803660 /nfs/dbraw/zinc/80/36/60/916803660.db2.gz BJEJHWJNUGRDRX-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP COCC[NH2+]CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001326050580 916888180 /nfs/dbraw/zinc/88/81/80/916888180.db2.gz BNIPNHGSJZIYQI-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001326074735 916891686 /nfs/dbraw/zinc/89/16/86/916891686.db2.gz VHOSKQFPMOHVNW-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001326107656 916899247 /nfs/dbraw/zinc/89/92/47/916899247.db2.gz PLWCMLLNARBPMX-QWHCGFSZSA-N 2 1 312.414 -1.101 20 0 DAADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326845636 916962304 /nfs/dbraw/zinc/96/23/04/916962304.db2.gz JNJALCLKJBBHBQ-RWMBFGLXSA-N 2 1 310.398 -1.620 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC001326877981 916963436 /nfs/dbraw/zinc/96/34/36/916963436.db2.gz XTRGWCUIMDVVMO-YVECIDJPSA-N 2 1 310.398 -1.541 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001327015454 916980988 /nfs/dbraw/zinc/98/09/88/916980988.db2.gz BGEOYHYOMWZQJP-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP OC[C@H]1C[N@@H+](CCCCC[NH+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067540 916988615 /nfs/dbraw/zinc/98/86/15/916988615.db2.gz PUKXVDNIKDXBQD-XGUBFFRZSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@H]1C[NH+](CCCCC[N@@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067540 916988627 /nfs/dbraw/zinc/98/86/27/916988627.db2.gz PUKXVDNIKDXBQD-XGUBFFRZSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@H]1C[NH+](CCCCC[N@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067540 916988639 /nfs/dbraw/zinc/98/86/39/916988639.db2.gz PUKXVDNIKDXBQD-XGUBFFRZSA-N 2 1 302.415 -1.273 20 0 DAADMP CC1([NH3+])CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001327180362 916991363 /nfs/dbraw/zinc/99/13/63/916991363.db2.gz ABJCTQQHIFXQFI-NWDGAFQWSA-N 2 1 310.398 -1.396 20 0 DAADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327175175 916992669 /nfs/dbraw/zinc/99/26/69/916992669.db2.gz CMHYHSIYCUATLE-HZSPNIEDSA-N 2 1 324.425 -1.326 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328218178 917071163 /nfs/dbraw/zinc/07/11/63/917071163.db2.gz YVNNDAQASKAEGO-ZDUSSCGKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328218178 917071175 /nfs/dbraw/zinc/07/11/75/917071175.db2.gz YVNNDAQASKAEGO-ZDUSSCGKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001329001924 917130735 /nfs/dbraw/zinc/13/07/35/917130735.db2.gz DMYSNJXSOBQBPW-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CCN1CC[NH+](CCCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001329926433 917212845 /nfs/dbraw/zinc/21/28/45/917212845.db2.gz SNNQPPCSJPNPBY-UHFFFAOYSA-N 2 1 309.418 -1.006 20 0 DAADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329972278 917216309 /nfs/dbraw/zinc/21/63/09/917216309.db2.gz HRORHHXIGVNXIU-ZOWXZIJZSA-N 2 1 310.398 -1.539 20 0 DAADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329972277 917216682 /nfs/dbraw/zinc/21/66/82/917216682.db2.gz HRORHHXIGVNXIU-YWPYICTPSA-N 2 1 310.398 -1.539 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001331168205 917283404 /nfs/dbraw/zinc/28/34/04/917283404.db2.gz QIGJNHHILZPIJQ-YVECIDJPSA-N 2 1 310.398 -1.181 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001332412131 917368415 /nfs/dbraw/zinc/36/84/15/917368415.db2.gz MUQMYRZSIFXRKI-CZUORRHYSA-N 2 1 324.425 -1.005 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCOC)C1 ZINC001332605828 917395279 /nfs/dbraw/zinc/39/52/79/917395279.db2.gz LVJFSMGVHQZORW-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCOC)C1 ZINC001332605828 917395291 /nfs/dbraw/zinc/39/52/91/917395291.db2.gz LVJFSMGVHQZORW-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOC)C1 ZINC001332605822 917396034 /nfs/dbraw/zinc/39/60/34/917396034.db2.gz LVJFSMGVHQZORW-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOC)C1 ZINC001332605822 917396051 /nfs/dbraw/zinc/39/60/51/917396051.db2.gz LVJFSMGVHQZORW-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC001333376967 917438009 /nfs/dbraw/zinc/43/80/09/917438009.db2.gz FFIOKPLCALTTGC-QWHCGFSZSA-N 2 1 311.430 -1.441 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])CN1CC[NH+](C)CC1 ZINC001333541886 917447345 /nfs/dbraw/zinc/44/73/45/917447345.db2.gz DXCGFYJGQSMRCG-ZDUSSCGKSA-N 2 1 313.446 -1.207 20 0 DAADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335205564 917532714 /nfs/dbraw/zinc/53/27/14/917532714.db2.gz VFPOQJIIVOSJQQ-QWHCGFSZSA-N 2 1 310.398 -1.620 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001335230173 917536906 /nfs/dbraw/zinc/53/69/06/917536906.db2.gz KYPFBISQQJKYRL-UHFFFAOYSA-N 2 1 316.402 -1.695 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001335801853 917561866 /nfs/dbraw/zinc/56/18/66/917561866.db2.gz MFKNYGFKCVVBDJ-XJFOESAGSA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001335769810 917562863 /nfs/dbraw/zinc/56/28/63/917562863.db2.gz WMRYMBWDGBETJL-MLGOLLRUSA-N 2 1 324.425 -1.101 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336555994 917590584 /nfs/dbraw/zinc/59/05/84/917590584.db2.gz KBTFWMJDGDZCAT-MJBXVCDLSA-N 2 1 323.441 -1.584 20 0 DAADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340155273 917730499 /nfs/dbraw/zinc/73/04/99/917730499.db2.gz OJVRAZPGVBSKBY-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001340926942 917745687 /nfs/dbraw/zinc/74/56/87/917745687.db2.gz ATQGSGUKLSKQAB-RBSFLKMASA-N 2 1 307.442 -1.119 20 0 DAADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341733725 917764468 /nfs/dbraw/zinc/76/44/68/917764468.db2.gz RFYTWWPSVJCZRM-ZDUSSCGKSA-N 2 1 323.441 -1.440 20 0 DAADMP CC1(C(=O)N2CC[NH2+]CCN(C(=O)C3(C)C[NH2+]C3)CC2)C[NH2+]C1 ZINC001342639412 917788869 /nfs/dbraw/zinc/78/88/69/917788869.db2.gz BLMAQEZNKNRMME-UHFFFAOYSA-N 3 1 323.441 -1.534 20 0 DAADMP OC[C@@H]1C[C@@H](O)C[NH+]1CCOCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001342858339 917792543 /nfs/dbraw/zinc/79/25/43/917792543.db2.gz FTBMRIUODMQVJI-IGQOVBAYSA-N 2 1 304.387 -2.142 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001345181766 917839069 /nfs/dbraw/zinc/83/90/69/917839069.db2.gz DIEUBZHDAPVGMK-YNEHKIRRSA-N 2 1 310.398 -1.404 20 0 DAADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001345767303 917857464 /nfs/dbraw/zinc/85/74/64/917857464.db2.gz NBBNCLXNIGVTMZ-CQSZACIVSA-N 2 1 314.430 -1.255 20 0 DAADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346516232 917889246 /nfs/dbraw/zinc/88/92/46/917889246.db2.gz NCMHPQCSJRPFAS-QWHCGFSZSA-N 2 1 310.398 -1.620 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001347090661 917909509 /nfs/dbraw/zinc/90/95/09/917909509.db2.gz KJILKUDZEPZXAM-ZDUSSCGKSA-N 2 1 313.446 -1.194 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC001347342677 917917731 /nfs/dbraw/zinc/91/77/31/917917731.db2.gz LXIDWZPHYPNLMN-RDBSUJKOSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001347342677 917917746 /nfs/dbraw/zinc/91/77/46/917917746.db2.gz LXIDWZPHYPNLMN-RDBSUJKOSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001347342677 917917759 /nfs/dbraw/zinc/91/77/59/917917759.db2.gz LXIDWZPHYPNLMN-RDBSUJKOSA-N 2 1 323.441 -1.169 20 0 DAADMP [NH3+]C1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001349845236 918042353 /nfs/dbraw/zinc/04/23/53/918042353.db2.gz NIKIRBBJSRKQBY-IFWUJCSASA-N 2 1 310.398 -1.350 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001353121181 918140998 /nfs/dbraw/zinc/14/09/98/918140998.db2.gz HJKKKPPJVWSUDB-LALPHHSUSA-N 2 1 312.414 -1.103 20 0 DAADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1=O ZINC001353354645 918150945 /nfs/dbraw/zinc/15/09/45/918150945.db2.gz QMAXCJVMOLORAY-CYBMUJFWSA-N 2 1 310.398 -1.018 20 0 DAADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1=O ZINC001353354645 918150956 /nfs/dbraw/zinc/15/09/56/918150956.db2.gz QMAXCJVMOLORAY-CYBMUJFWSA-N 2 1 310.398 -1.018 20 0 DAADMP [NH3+]CCNCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001354633272 918184250 /nfs/dbraw/zinc/18/42/50/918184250.db2.gz ZOOLFCJZXMNTCZ-AWEZNQCLSA-N 2 1 313.446 -1.553 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357413007 918289268 /nfs/dbraw/zinc/28/92/68/918289268.db2.gz FOCMWYXQMKWACP-LBPRGKRZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[C@H]1O ZINC001363604266 918841447 /nfs/dbraw/zinc/84/14/47/918841447.db2.gz UAPKOTUUUITSAY-BZPMIXESSA-N 2 1 301.387 -1.701 20 0 DAADMP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[C@H]1O ZINC001363604266 918841453 /nfs/dbraw/zinc/84/14/53/918841453.db2.gz UAPKOTUUUITSAY-BZPMIXESSA-N 2 1 301.387 -1.701 20 0 DAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001365812270 919238988 /nfs/dbraw/zinc/23/89/88/919238988.db2.gz UDAXQIFBINGGDF-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001365812270 919239003 /nfs/dbraw/zinc/23/90/03/919239003.db2.gz UDAXQIFBINGGDF-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365833509 919239152 /nfs/dbraw/zinc/23/91/52/919239152.db2.gz KQUCPNHYIWSVFY-DCAQKATOSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260555 919296779 /nfs/dbraw/zinc/29/67/79/919296779.db2.gz KXGDAXRCFFNWGI-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260555 919296797 /nfs/dbraw/zinc/29/67/97/919296797.db2.gz KXGDAXRCFFNWGI-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366339145 919314175 /nfs/dbraw/zinc/31/41/75/919314175.db2.gz BZDGEORLTAADNR-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366405966 919327602 /nfs/dbraw/zinc/32/76/02/919327602.db2.gz FIZMQRHXYLDSSL-NSHDSACASA-N 2 1 322.369 -1.175 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](O)COC)C1 ZINC001366593712 919353071 /nfs/dbraw/zinc/35/30/71/919353071.db2.gz ZGCCTFLBDAQLQK-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@@H](O)COC)C1 ZINC001366593712 919353086 /nfs/dbraw/zinc/35/30/86/919353086.db2.gz ZGCCTFLBDAQLQK-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@@H](O)COC)C1 ZINC001366593712 919353105 /nfs/dbraw/zinc/35/31/05/919353105.db2.gz ZGCCTFLBDAQLQK-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)C1 ZINC001366593712 919353125 /nfs/dbraw/zinc/35/31/25/919353125.db2.gz ZGCCTFLBDAQLQK-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](O)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734436 919370839 /nfs/dbraw/zinc/37/08/39/919370839.db2.gz RVEKWKAJHJLFLL-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734436 919370858 /nfs/dbraw/zinc/37/08/58/919370858.db2.gz RVEKWKAJHJLFLL-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366734436 919370875 /nfs/dbraw/zinc/37/08/75/919370875.db2.gz RVEKWKAJHJLFLL-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366734436 919370891 /nfs/dbraw/zinc/37/08/91/919370891.db2.gz RVEKWKAJHJLFLL-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366714905 919375355 /nfs/dbraw/zinc/37/53/55/919375355.db2.gz XUCKIWDDQSYDRZ-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366714905 919375372 /nfs/dbraw/zinc/37/53/72/919375372.db2.gz XUCKIWDDQSYDRZ-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001366714905 919375388 /nfs/dbraw/zinc/37/53/88/919375388.db2.gz XUCKIWDDQSYDRZ-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366759791 919378022 /nfs/dbraw/zinc/37/80/22/919378022.db2.gz HISCIAFEEGFBTC-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366759791 919378041 /nfs/dbraw/zinc/37/80/41/919378041.db2.gz HISCIAFEEGFBTC-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366759789 919379718 /nfs/dbraw/zinc/37/97/18/919379718.db2.gz HISCIAFEEGFBTC-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366759789 919379736 /nfs/dbraw/zinc/37/97/36/919379736.db2.gz HISCIAFEEGFBTC-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001366979580 919415613 /nfs/dbraw/zinc/41/56/13/919415613.db2.gz ZDHOJIRXGJRRJA-UHFFFAOYSA-N 2 1 320.459 -1.123 20 0 DAADMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016041 919422845 /nfs/dbraw/zinc/42/28/45/919422845.db2.gz BCTJBPGCIBCKSG-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001367016041 919422853 /nfs/dbraw/zinc/42/28/53/919422853.db2.gz BCTJBPGCIBCKSG-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(=O)NC ZINC001367140965 919437901 /nfs/dbraw/zinc/43/79/01/919437901.db2.gz OAXMSAUCYTXNAQ-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001367276079 919448441 /nfs/dbraw/zinc/44/84/41/919448441.db2.gz DOOGVRMFBHWYOJ-VXGBXAGGSA-N 2 1 300.403 -1.076 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367374904 919461074 /nfs/dbraw/zinc/46/10/74/919461074.db2.gz YLMKRAWIBDUGOV-SECBINFHSA-N 2 1 310.358 -1.177 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367374911 919461515 /nfs/dbraw/zinc/46/15/15/919461515.db2.gz YLMKRAWIBDUGOV-VIFPVBQESA-N 2 1 310.358 -1.177 20 0 DAADMP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367583441 919496124 /nfs/dbraw/zinc/49/61/24/919496124.db2.gz QILGTXLEMAPEDA-QWHCGFSZSA-N 2 1 310.402 -1.041 20 0 DAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367586820 919499270 /nfs/dbraw/zinc/49/92/70/919499270.db2.gz PLHCSSKRSJAIKK-CHWSQXEVSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367586820 919499279 /nfs/dbraw/zinc/49/92/79/919499279.db2.gz PLHCSSKRSJAIKK-CHWSQXEVSA-N 2 1 311.386 -1.683 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593225 919504202 /nfs/dbraw/zinc/50/42/02/919504202.db2.gz JNJYCJCHYZPDOZ-ZJUUUORDSA-N 2 1 315.374 -2.268 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001367598238 919514063 /nfs/dbraw/zinc/51/40/63/919514063.db2.gz IUGQUKILSZBSNW-RYUDHWBXSA-N 2 1 309.370 -1.511 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001367600587 919514390 /nfs/dbraw/zinc/51/43/90/919514390.db2.gz LWPSEXVBFKJVLW-LBPRGKRZSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001367619525 919534296 /nfs/dbraw/zinc/53/42/96/919534296.db2.gz OJFVHVMMCNVSSA-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001367621656 919537655 /nfs/dbraw/zinc/53/76/55/919537655.db2.gz LVXUSELJVXQOCZ-LBPRGKRZSA-N 2 1 308.386 -1.522 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367624434 919539113 /nfs/dbraw/zinc/53/91/13/919539113.db2.gz QARBWOVCAKGGPC-SNVBAGLBSA-N 2 1 309.374 -2.127 20 0 DAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367625458 919540641 /nfs/dbraw/zinc/54/06/41/919540641.db2.gz QRZUZVNRIAOFII-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001367775792 919569701 /nfs/dbraw/zinc/56/97/01/919569701.db2.gz POECMPFBCFDSEM-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001367775792 919569712 /nfs/dbraw/zinc/56/97/12/919569712.db2.gz POECMPFBCFDSEM-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001368247049 919634826 /nfs/dbraw/zinc/63/48/26/919634826.db2.gz GFSLDWLPLNNFMT-WFASDCNBSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001368247049 919634835 /nfs/dbraw/zinc/63/48/35/919634835.db2.gz GFSLDWLPLNNFMT-WFASDCNBSA-N 2 1 324.425 -1.088 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001368254034 919640539 /nfs/dbraw/zinc/64/05/39/919640539.db2.gz AFNZYYJTCVENGZ-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001368254034 919640548 /nfs/dbraw/zinc/64/05/48/919640548.db2.gz AFNZYYJTCVENGZ-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368292274 919670651 /nfs/dbraw/zinc/67/06/51/919670651.db2.gz YOEACNRPECSCOS-UKRRQHHQSA-N 2 1 315.414 -1.500 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001368410913 919719154 /nfs/dbraw/zinc/71/91/54/919719154.db2.gz ONKUTQIMKAXUKT-NEPJUHHUSA-N 2 1 300.403 -1.388 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508493 919733068 /nfs/dbraw/zinc/73/30/68/919733068.db2.gz GODYNVMNVKKONN-RYUDHWBXSA-N 2 1 314.386 -1.991 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508493 919733074 /nfs/dbraw/zinc/73/30/74/919733074.db2.gz GODYNVMNVKKONN-RYUDHWBXSA-N 2 1 314.386 -1.991 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001368631917 919752141 /nfs/dbraw/zinc/75/21/41/919752141.db2.gz SZVMTEXQYZCURY-AWEZNQCLSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232057 919829889 /nfs/dbraw/zinc/82/98/89/919829889.db2.gz QBWNNWYGHWAEBJ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232057 919829897 /nfs/dbraw/zinc/82/98/97/919829897.db2.gz QBWNNWYGHWAEBJ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232052 919831776 /nfs/dbraw/zinc/83/17/76/919831776.db2.gz QBWNNWYGHWAEBJ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232052 919831790 /nfs/dbraw/zinc/83/17/90/919831790.db2.gz QBWNNWYGHWAEBJ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001369340930 919879885 /nfs/dbraw/zinc/87/98/85/919879885.db2.gz IMENBCCGIYBDFR-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001369340930 919879905 /nfs/dbraw/zinc/87/99/05/919879905.db2.gz IMENBCCGIYBDFR-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369342400 919880747 /nfs/dbraw/zinc/88/07/47/919880747.db2.gz TXLPOSGFJRRSME-CHWSQXEVSA-N 2 1 310.402 -1.171 20 0 DAADMP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001369350209 919887224 /nfs/dbraw/zinc/88/72/24/919887224.db2.gz TUCVLUWVYPENLU-NXEZZACHSA-N 2 1 300.359 -1.203 20 0 DAADMP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001369350216 919889591 /nfs/dbraw/zinc/88/95/91/919889591.db2.gz TUCVLUWVYPENLU-UWVGGRQHSA-N 2 1 300.359 -1.203 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001369365979 919901457 /nfs/dbraw/zinc/90/14/57/919901457.db2.gz PPCMVEYMFBYLRW-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369365979 919901463 /nfs/dbraw/zinc/90/14/63/919901463.db2.gz PPCMVEYMFBYLRW-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001369365984 919903843 /nfs/dbraw/zinc/90/38/43/919903843.db2.gz PPCMVEYMFBYLRW-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369365984 919903852 /nfs/dbraw/zinc/90/38/52/919903852.db2.gz PPCMVEYMFBYLRW-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001369370768 919906786 /nfs/dbraw/zinc/90/67/86/919906786.db2.gz FIJCZCZESPBWAU-NEPJUHHUSA-N 2 1 302.419 -1.130 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001369370904 919908051 /nfs/dbraw/zinc/90/80/51/919908051.db2.gz FYNAYIMRDVZXIW-LBPRGKRZSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001369381494 919913399 /nfs/dbraw/zinc/91/33/99/919913399.db2.gz NTNJONSFTFZIGA-NWDGAFQWSA-N 2 1 321.443 -1.561 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001369484356 919956523 /nfs/dbraw/zinc/95/65/23/919956523.db2.gz SWKNHDIQLUTAJY-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369489339 919960438 /nfs/dbraw/zinc/96/04/38/919960438.db2.gz ZTCVARKVYNXQEZ-ZYHUDNBSSA-N 2 1 311.386 -1.265 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369489309 919961785 /nfs/dbraw/zinc/96/17/85/919961785.db2.gz ZNJRTWUZKPPOCD-VXGBXAGGSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369489309 919961802 /nfs/dbraw/zinc/96/18/02/919961802.db2.gz ZNJRTWUZKPPOCD-VXGBXAGGSA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369489330 919962568 /nfs/dbraw/zinc/96/25/68/919962568.db2.gz ZTCVARKVYNXQEZ-CMPLNLGQSA-N 2 1 311.386 -1.265 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490877 919967691 /nfs/dbraw/zinc/96/76/91/919967691.db2.gz QOYVFNYFEISFCL-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490877 919967701 /nfs/dbraw/zinc/96/77/01/919967701.db2.gz QOYVFNYFEISFCL-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490881 919968456 /nfs/dbraw/zinc/96/84/56/919968456.db2.gz QOYVFNYFEISFCL-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490881 919968470 /nfs/dbraw/zinc/96/84/70/919968470.db2.gz QOYVFNYFEISFCL-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515792 919983326 /nfs/dbraw/zinc/98/33/26/919983326.db2.gz SGXSBLUNISUZFS-NEPJUHHUSA-N 2 1 302.419 -1.176 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515792 919983332 /nfs/dbraw/zinc/98/33/32/919983332.db2.gz SGXSBLUNISUZFS-NEPJUHHUSA-N 2 1 302.419 -1.176 20 0 DAADMP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370025878 920033027 /nfs/dbraw/zinc/03/30/27/920033027.db2.gz BCTJBPGCIBCKSG-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370025878 920033035 /nfs/dbraw/zinc/03/30/35/920033035.db2.gz BCTJBPGCIBCKSG-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001370450194 920058360 /nfs/dbraw/zinc/05/83/60/920058360.db2.gz ZHEFVWICAZJXID-DBIOUOCHSA-N 2 1 311.386 -1.099 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001370565854 920068846 /nfs/dbraw/zinc/06/88/46/920068846.db2.gz SMAYWXBYCVQYKD-XUXIUFHCSA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001370565854 920068860 /nfs/dbraw/zinc/06/88/60/920068860.db2.gz SMAYWXBYCVQYKD-XUXIUFHCSA-N 2 1 315.414 -1.049 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370685989 920115725 /nfs/dbraw/zinc/11/57/25/920115725.db2.gz WWBWQJKOWBIADO-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370685989 920115733 /nfs/dbraw/zinc/11/57/33/920115733.db2.gz WWBWQJKOWBIADO-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370685979 920115810 /nfs/dbraw/zinc/11/58/10/920115810.db2.gz WWBWQJKOWBIADO-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370685979 920115818 /nfs/dbraw/zinc/11/58/18/920115818.db2.gz WWBWQJKOWBIADO-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001370708595 920136021 /nfs/dbraw/zinc/13/60/21/920136021.db2.gz GARGMAJYIBJHLQ-RWSFTLGLSA-N 2 1 323.397 -1.096 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001371458702 920259817 /nfs/dbraw/zinc/25/98/17/920259817.db2.gz IEORSROKTULCLD-CHWSQXEVSA-N 2 1 323.397 -1.169 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478597 920268250 /nfs/dbraw/zinc/26/82/50/920268250.db2.gz UBXVQXXCAZAUHG-NWDGAFQWSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478597 920268268 /nfs/dbraw/zinc/26/82/68/920268268.db2.gz UBXVQXXCAZAUHG-NWDGAFQWSA-N 2 1 321.443 -1.154 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372569146 920386685 /nfs/dbraw/zinc/38/66/85/920386685.db2.gz NGDBVGLZLQLHSO-NSHDSACASA-N 2 1 323.397 -1.142 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372569146 920386702 /nfs/dbraw/zinc/38/67/02/920386702.db2.gz NGDBVGLZLQLHSO-NSHDSACASA-N 2 1 323.397 -1.142 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372569142 920387325 /nfs/dbraw/zinc/38/73/25/920387325.db2.gz NGDBVGLZLQLHSO-LLVKDONJSA-N 2 1 323.397 -1.142 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372569142 920387342 /nfs/dbraw/zinc/38/73/42/920387342.db2.gz NGDBVGLZLQLHSO-LLVKDONJSA-N 2 1 323.397 -1.142 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000317 920572593 /nfs/dbraw/zinc/57/25/93/920572593.db2.gz DAPOGFDWBMZEBU-UWVGGRQHSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000317 920572609 /nfs/dbraw/zinc/57/26/09/920572609.db2.gz DAPOGFDWBMZEBU-UWVGGRQHSA-N 2 1 315.374 -2.146 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374639030 920666288 /nfs/dbraw/zinc/66/62/88/920666288.db2.gz RGVATNWVWQHZCK-AVGNSLFASA-N 2 1 303.403 -1.455 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374674938 920687356 /nfs/dbraw/zinc/68/73/56/920687356.db2.gz SOAGWDVFCSRURD-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374685546 920694354 /nfs/dbraw/zinc/69/43/54/920694354.db2.gz OVCLRQADXRRBBW-VHSXEESVSA-N 2 1 317.390 -2.023 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001374686705 920694615 /nfs/dbraw/zinc/69/46/15/920694615.db2.gz XILRQTYKEFTYOE-GFCCVEGCSA-N 2 1 307.358 -1.413 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374842413 920718210 /nfs/dbraw/zinc/71/82/10/920718210.db2.gz LRYYDFQJLHDIMV-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375053349 920743576 /nfs/dbraw/zinc/74/35/76/920743576.db2.gz GPVBXULXUBNBEO-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375053349 920743587 /nfs/dbraw/zinc/74/35/87/920743587.db2.gz GPVBXULXUBNBEO-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001375120951 920746197 /nfs/dbraw/zinc/74/61/97/920746197.db2.gz FBIGATHWWKWBIP-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001375120951 920746209 /nfs/dbraw/zinc/74/62/09/920746209.db2.gz FBIGATHWWKWBIP-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375151893 920751569 /nfs/dbraw/zinc/75/15/69/920751569.db2.gz ATMGTQSRBUPYHX-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375151893 920751583 /nfs/dbraw/zinc/75/15/83/920751583.db2.gz ATMGTQSRBUPYHX-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375151893 920751592 /nfs/dbraw/zinc/75/15/92/920751592.db2.gz ATMGTQSRBUPYHX-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375151893 920751605 /nfs/dbraw/zinc/75/16/05/920751605.db2.gz ATMGTQSRBUPYHX-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375407158 920774758 /nfs/dbraw/zinc/77/47/58/920774758.db2.gz ZQCJKFAUQGIRRV-VIFPVBQESA-N 2 1 313.358 -2.250 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375407158 920774770 /nfs/dbraw/zinc/77/47/70/920774770.db2.gz ZQCJKFAUQGIRRV-VIFPVBQESA-N 2 1 313.358 -2.250 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375490527 920779305 /nfs/dbraw/zinc/77/93/05/920779305.db2.gz KWHFUFGQNOXWIB-SNVBAGLBSA-N 2 1 311.386 -1.239 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001375751132 920805641 /nfs/dbraw/zinc/80/56/41/920805641.db2.gz RWCMFHLRAWAOGE-QWRGUYRKSA-N 2 1 311.386 -1.144 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001375751133 920806568 /nfs/dbraw/zinc/80/65/68/920806568.db2.gz RWCMFHLRAWAOGE-WDEREUQCSA-N 2 1 311.386 -1.144 20 0 DAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040860 920836331 /nfs/dbraw/zinc/83/63/31/920836331.db2.gz VEKJOKAFBSBVAE-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040860 920836345 /nfs/dbraw/zinc/83/63/45/920836345.db2.gz VEKJOKAFBSBVAE-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040860 920836356 /nfs/dbraw/zinc/83/63/56/920836356.db2.gz VEKJOKAFBSBVAE-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040860 920836368 /nfs/dbraw/zinc/83/63/68/920836368.db2.gz VEKJOKAFBSBVAE-DOMZBBRYSA-N 2 1 312.414 -1.101 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001376073794 920843487 /nfs/dbraw/zinc/84/34/87/920843487.db2.gz ALQNZSFWNXCAPU-AWEZNQCLSA-N 2 1 310.402 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001376073794 920843498 /nfs/dbraw/zinc/84/34/98/920843498.db2.gz ALQNZSFWNXCAPU-AWEZNQCLSA-N 2 1 310.402 -1.180 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376073744 920843694 /nfs/dbraw/zinc/84/36/94/920843694.db2.gz AGQDSTJSVNOPBO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376073744 920843705 /nfs/dbraw/zinc/84/37/05/920843705.db2.gz AGQDSTJSVNOPBO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376096228 920850833 /nfs/dbraw/zinc/85/08/33/920850833.db2.gz SHPWUWZPKRSZDS-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376096228 920850841 /nfs/dbraw/zinc/85/08/41/920850841.db2.gz SHPWUWZPKRSZDS-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376096228 920850853 /nfs/dbraw/zinc/85/08/53/920850853.db2.gz SHPWUWZPKRSZDS-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376096228 920850863 /nfs/dbraw/zinc/85/08/63/920850863.db2.gz SHPWUWZPKRSZDS-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001376091369 920851310 /nfs/dbraw/zinc/85/13/10/920851310.db2.gz LUSHWVYYHQNYET-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001376091369 920851325 /nfs/dbraw/zinc/85/13/25/920851325.db2.gz LUSHWVYYHQNYET-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376091369 920851339 /nfs/dbraw/zinc/85/13/39/920851339.db2.gz LUSHWVYYHQNYET-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376091369 920851355 /nfs/dbraw/zinc/85/13/55/920851355.db2.gz LUSHWVYYHQNYET-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102240 920856108 /nfs/dbraw/zinc/85/61/08/920856108.db2.gz YLEHJBPYIDQEAR-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102240 920856117 /nfs/dbraw/zinc/85/61/17/920856117.db2.gz YLEHJBPYIDQEAR-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376102240 920856129 /nfs/dbraw/zinc/85/61/29/920856129.db2.gz YLEHJBPYIDQEAR-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102240 920856149 /nfs/dbraw/zinc/85/61/49/920856149.db2.gz YLEHJBPYIDQEAR-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100254 920859097 /nfs/dbraw/zinc/85/90/97/920859097.db2.gz UMDRBJBGTVYMSV-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100254 920859114 /nfs/dbraw/zinc/85/91/14/920859114.db2.gz UMDRBJBGTVYMSV-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCOC)C2)C1 ZINC001376100254 920859133 /nfs/dbraw/zinc/85/91/33/920859133.db2.gz UMDRBJBGTVYMSV-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100254 920859149 /nfs/dbraw/zinc/85/91/49/920859149.db2.gz UMDRBJBGTVYMSV-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100250 920859597 /nfs/dbraw/zinc/85/95/97/920859597.db2.gz UMDRBJBGTVYMSV-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100250 920859610 /nfs/dbraw/zinc/85/96/10/920859610.db2.gz UMDRBJBGTVYMSV-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCOC)C2)C1 ZINC001376100250 920859622 /nfs/dbraw/zinc/85/96/22/920859622.db2.gz UMDRBJBGTVYMSV-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100250 920859634 /nfs/dbraw/zinc/85/96/34/920859634.db2.gz UMDRBJBGTVYMSV-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376363615 920926267 /nfs/dbraw/zinc/92/62/67/920926267.db2.gz VOYWKFDZDLRGKT-OPRDCNLKSA-N 2 1 313.358 -2.251 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376363615 920926284 /nfs/dbraw/zinc/92/62/84/920926284.db2.gz VOYWKFDZDLRGKT-OPRDCNLKSA-N 2 1 313.358 -2.251 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376475756 920947355 /nfs/dbraw/zinc/94/73/55/920947355.db2.gz QIHSHDILCUBCTN-PHIMTYICSA-N 2 1 322.369 -1.116 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376476882 920948118 /nfs/dbraw/zinc/94/81/18/920948118.db2.gz DCESHDWZTVSEGC-HNNXBMFYSA-N 2 1 314.430 -1.031 20 0 DAADMP CN(C)C(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001376476882 920948129 /nfs/dbraw/zinc/94/81/29/920948129.db2.gz DCESHDWZTVSEGC-HNNXBMFYSA-N 2 1 314.430 -1.031 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001376544476 920975739 /nfs/dbraw/zinc/97/57/39/920975739.db2.gz FLSIMRRRSVPQRR-ZDUSSCGKSA-N 2 1 323.397 -1.167 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376626339 920995007 /nfs/dbraw/zinc/99/50/07/920995007.db2.gz BDUHLUFZNVIOFH-DGTMBMJNSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376626339 920995021 /nfs/dbraw/zinc/99/50/21/920995021.db2.gz BDUHLUFZNVIOFH-DGTMBMJNSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376626339 920995036 /nfs/dbraw/zinc/99/50/36/920995036.db2.gz BDUHLUFZNVIOFH-DGTMBMJNSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376626339 920995053 /nfs/dbraw/zinc/99/50/53/920995053.db2.gz BDUHLUFZNVIOFH-DGTMBMJNSA-N 2 1 313.398 -1.629 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001376629910 920995161 /nfs/dbraw/zinc/99/51/61/920995161.db2.gz LTXSSDIZLXUOSZ-NEPJUHHUSA-N 2 1 300.403 -1.245 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001376642338 921002375 /nfs/dbraw/zinc/00/23/75/921002375.db2.gz ZBNLGMFHRBDOQU-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCS(C)(=O)=O ZINC001376818991 921034914 /nfs/dbraw/zinc/03/49/14/921034914.db2.gz GPDSCNQPRXONFG-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377471689 921823514 /nfs/dbraw/zinc/82/35/14/921823514.db2.gz WJGSHDRZZPXEDU-NSHDSACASA-N 2 1 323.397 -1.285 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377514415 921832343 /nfs/dbraw/zinc/83/23/43/921832343.db2.gz SRSWHSUKCGPBRY-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377514415 921832355 /nfs/dbraw/zinc/83/23/55/921832355.db2.gz SRSWHSUKCGPBRY-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001377598894 921844533 /nfs/dbraw/zinc/84/45/33/921844533.db2.gz XJVIDVFRDUJCSH-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001377598897 921844616 /nfs/dbraw/zinc/84/46/16/921844616.db2.gz XJVIDVFRDUJCSH-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001378090157 921911632 /nfs/dbraw/zinc/91/16/32/921911632.db2.gz TZPJRGXGNVELLE-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001378090157 921911643 /nfs/dbraw/zinc/91/16/43/921911643.db2.gz TZPJRGXGNVELLE-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C[C@@H](O)COC)C2)C1 ZINC001378090157 921911655 /nfs/dbraw/zinc/91/16/55/921911655.db2.gz TZPJRGXGNVELLE-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001378090157 921911667 /nfs/dbraw/zinc/91/16/67/921911667.db2.gz TZPJRGXGNVELLE-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230688 921933859 /nfs/dbraw/zinc/93/38/59/921933859.db2.gz JAVHWVXCMRFWME-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230688 921933866 /nfs/dbraw/zinc/93/38/66/921933866.db2.gz JAVHWVXCMRFWME-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378543535 921975222 /nfs/dbraw/zinc/97/52/22/921975222.db2.gz XHSYHTNWQMBNPO-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378543535 921975240 /nfs/dbraw/zinc/97/52/40/921975240.db2.gz XHSYHTNWQMBNPO-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378649018 921986618 /nfs/dbraw/zinc/98/66/18/921986618.db2.gz PZIANKQPFNWKOL-GHMZBOCLSA-N 2 1 310.402 -1.098 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378649026 921989010 /nfs/dbraw/zinc/98/90/10/921989010.db2.gz PZIANKQPFNWKOL-MNOVXSKESA-N 2 1 310.402 -1.098 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001378835652 922012309 /nfs/dbraw/zinc/01/23/09/922012309.db2.gz YLXJYYCAKLPVSA-SYQHCUMBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001378835652 922012322 /nfs/dbraw/zinc/01/23/22/922012322.db2.gz YLXJYYCAKLPVSA-SYQHCUMBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001378835647 922014202 /nfs/dbraw/zinc/01/42/02/922014202.db2.gz YLXJYYCAKLPVSA-AAVRWANBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001378835647 922014215 /nfs/dbraw/zinc/01/42/15/922014215.db2.gz YLXJYYCAKLPVSA-AAVRWANBSA-N 2 1 315.414 -1.191 20 0 DAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379182029 922054539 /nfs/dbraw/zinc/05/45/39/922054539.db2.gz NSODIXHLSHLQSL-STQMWFEESA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379182029 922054551 /nfs/dbraw/zinc/05/45/51/922054551.db2.gz NSODIXHLSHLQSL-STQMWFEESA-N 2 1 311.386 -1.683 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379180286 922054644 /nfs/dbraw/zinc/05/46/44/922054644.db2.gz KXRQEWYHTJSNJF-NWDGAFQWSA-N 2 1 316.402 -2.090 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379180286 922054658 /nfs/dbraw/zinc/05/46/58/922054658.db2.gz KXRQEWYHTJSNJF-NWDGAFQWSA-N 2 1 316.402 -2.090 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379208483 922074067 /nfs/dbraw/zinc/07/40/67/922074067.db2.gz KCYDLCIWWGASOF-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379208479 922074183 /nfs/dbraw/zinc/07/41/83/922074183.db2.gz KCYDLCIWWGASOF-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001379241031 922091962 /nfs/dbraw/zinc/09/19/62/922091962.db2.gz JNHXXRJKYAWZPB-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001379241028 922093357 /nfs/dbraw/zinc/09/33/57/922093357.db2.gz JNHXXRJKYAWZPB-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379258944 922103611 /nfs/dbraw/zinc/10/36/11/922103611.db2.gz NHBUDPULMZLTDF-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410956 922160760 /nfs/dbraw/zinc/16/07/60/922160760.db2.gz MDOHYFKYXAQDNJ-AAEUAGOBSA-N 2 1 312.414 -1.232 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001379440634 922176727 /nfs/dbraw/zinc/17/67/27/922176727.db2.gz KLNYLPRBQBRRHN-YPMHNXCESA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001379440628 922178121 /nfs/dbraw/zinc/17/81/21/922178121.db2.gz KLNYLPRBQBRRHN-AAEUAGOBSA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001379440631 922178491 /nfs/dbraw/zinc/17/84/91/922178491.db2.gz KLNYLPRBQBRRHN-WCQYABFASA-N 2 1 323.397 -1.075 20 0 DAADMP COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379478362 922196455 /nfs/dbraw/zinc/19/64/55/922196455.db2.gz YVZXHUGSAVEZOI-XDQVBPFNSA-N 2 1 317.430 -1.209 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379503892 922207812 /nfs/dbraw/zinc/20/78/12/922207812.db2.gz JHOIVVJGNMQACZ-QWHCGFSZSA-N 2 1 310.402 -1.313 20 0 DAADMP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379527540 922217868 /nfs/dbraw/zinc/21/78/68/922217868.db2.gz NPFUBRYUXHYKBF-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCNC2=O)C1 ZINC001379531315 922219854 /nfs/dbraw/zinc/21/98/54/922219854.db2.gz VQADKLCGBXZBHO-NWDGAFQWSA-N 2 1 313.402 -1.970 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379601976 922232375 /nfs/dbraw/zinc/23/23/75/922232375.db2.gz WWIWYBSEDNKWOG-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379761696 922252065 /nfs/dbraw/zinc/25/20/65/922252065.db2.gz RWKJHOIZHVDWCT-QWHCGFSZSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379761697 922252244 /nfs/dbraw/zinc/25/22/44/922252244.db2.gz RWKJHOIZHVDWCT-STQMWFEESA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379829889 922275713 /nfs/dbraw/zinc/27/57/13/922275713.db2.gz XMLYIJZWFMPAQP-NWDGAFQWSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829889 922275728 /nfs/dbraw/zinc/27/57/28/922275728.db2.gz XMLYIJZWFMPAQP-NWDGAFQWSA-N 2 1 310.402 -1.182 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001379956001 922301217 /nfs/dbraw/zinc/30/12/17/922301217.db2.gz BPZUWIWBVJHQPL-AVGNSLFASA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001379956001 922301235 /nfs/dbraw/zinc/30/12/35/922301235.db2.gz BPZUWIWBVJHQPL-AVGNSLFASA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001379956001 922301242 /nfs/dbraw/zinc/30/12/42/922301242.db2.gz BPZUWIWBVJHQPL-AVGNSLFASA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001379956001 922301260 /nfs/dbraw/zinc/30/12/60/922301260.db2.gz BPZUWIWBVJHQPL-AVGNSLFASA-N 2 1 314.430 -1.047 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H](C)C(N)=O ZINC001379972940 922308842 /nfs/dbraw/zinc/30/88/42/922308842.db2.gz PJCOOFDRVRNMPO-RYUDHWBXSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H](C)C(N)=O ZINC001379972940 922308854 /nfs/dbraw/zinc/30/88/54/922308854.db2.gz PJCOOFDRVRNMPO-RYUDHWBXSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379972940 922308867 /nfs/dbraw/zinc/30/88/67/922308867.db2.gz PJCOOFDRVRNMPO-RYUDHWBXSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379972940 922308878 /nfs/dbraw/zinc/30/88/78/922308878.db2.gz PJCOOFDRVRNMPO-RYUDHWBXSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H](C)C(N)=O ZINC001379972938 922310580 /nfs/dbraw/zinc/31/05/80/922310580.db2.gz PJCOOFDRVRNMPO-NEPJUHHUSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H](C)C(N)=O ZINC001379972938 922310597 /nfs/dbraw/zinc/31/05/97/922310597.db2.gz PJCOOFDRVRNMPO-NEPJUHHUSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379972938 922310613 /nfs/dbraw/zinc/31/06/13/922310613.db2.gz PJCOOFDRVRNMPO-NEPJUHHUSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379972938 922310631 /nfs/dbraw/zinc/31/06/31/922310631.db2.gz PJCOOFDRVRNMPO-NEPJUHHUSA-N 2 1 302.419 -1.049 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379974622 922311407 /nfs/dbraw/zinc/31/14/07/922311407.db2.gz RPQCRGXJCPLNMC-RYUDHWBXSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379974622 922311411 /nfs/dbraw/zinc/31/14/11/922311411.db2.gz RPQCRGXJCPLNMC-RYUDHWBXSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379974622 922311421 /nfs/dbraw/zinc/31/14/21/922311421.db2.gz RPQCRGXJCPLNMC-RYUDHWBXSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379974622 922311434 /nfs/dbraw/zinc/31/14/34/922311434.db2.gz RPQCRGXJCPLNMC-RYUDHWBXSA-N 2 1 300.403 -1.565 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985339 922314345 /nfs/dbraw/zinc/31/43/45/922314345.db2.gz WUFWHELDXYTUHY-RYUDHWBXSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985339 922314359 /nfs/dbraw/zinc/31/43/59/922314359.db2.gz WUFWHELDXYTUHY-RYUDHWBXSA-N 2 1 312.414 -1.293 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001380486842 922360056 /nfs/dbraw/zinc/36/00/56/922360056.db2.gz QNEKWAMWZXXUGV-NSHDSACASA-N 2 1 314.386 -1.943 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001380486842 922360071 /nfs/dbraw/zinc/36/00/71/922360071.db2.gz QNEKWAMWZXXUGV-NSHDSACASA-N 2 1 314.386 -1.943 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380541249 922376280 /nfs/dbraw/zinc/37/62/80/922376280.db2.gz ATRJUYZOEYLUMF-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380541249 922376295 /nfs/dbraw/zinc/37/62/95/922376295.db2.gz ATRJUYZOEYLUMF-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380541249 922376313 /nfs/dbraw/zinc/37/63/13/922376313.db2.gz ATRJUYZOEYLUMF-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380541249 922376327 /nfs/dbraw/zinc/37/63/27/922376327.db2.gz ATRJUYZOEYLUMF-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380566465 922392097 /nfs/dbraw/zinc/39/20/97/922392097.db2.gz PVYWQSQNHJIDRO-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380566465 922392111 /nfs/dbraw/zinc/39/21/11/922392111.db2.gz PVYWQSQNHJIDRO-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380566465 922392129 /nfs/dbraw/zinc/39/21/29/922392129.db2.gz PVYWQSQNHJIDRO-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380566465 922392151 /nfs/dbraw/zinc/39/21/51/922392151.db2.gz PVYWQSQNHJIDRO-AWEZNQCLSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566085 922394358 /nfs/dbraw/zinc/39/43/58/922394358.db2.gz PGMIITBIRSYSOL-BLLLJJGKSA-N 2 1 324.425 -1.101 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001380560543 922394461 /nfs/dbraw/zinc/39/44/61/922394461.db2.gz WPPHKEWRFWLITP-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001380560543 922394475 /nfs/dbraw/zinc/39/44/75/922394475.db2.gz WPPHKEWRFWLITP-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001380560543 922394488 /nfs/dbraw/zinc/39/44/88/922394488.db2.gz WPPHKEWRFWLITP-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001380560543 922394503 /nfs/dbraw/zinc/39/45/03/922394503.db2.gz WPPHKEWRFWLITP-WFASDCNBSA-N 2 1 312.414 -1.373 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380572394 922395331 /nfs/dbraw/zinc/39/53/31/922395331.db2.gz MCRICZFEXNESDE-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001380774129 922456987 /nfs/dbraw/zinc/45/69/87/922456987.db2.gz NZPUGFLSMHYUKS-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001380773929 922457410 /nfs/dbraw/zinc/45/74/10/922457410.db2.gz NZPUGFLSMHYUKS-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001380774438 922458312 /nfs/dbraw/zinc/45/83/12/922458312.db2.gz PKQOCYARZOYMTH-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001381168124 922506860 /nfs/dbraw/zinc/50/68/60/922506860.db2.gz LYCWHGIOFSUXTR-LBPRGKRZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H](C(N)=O)N1CCC(CO)(NC(=O)[C@@H]2CCCN2C)CC1 ZINC001381247549 922513604 /nfs/dbraw/zinc/51/36/04/922513604.db2.gz UICQUZFCNSKIMX-NEPJUHHUSA-N 2 1 312.414 -1.103 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001381932914 922568695 /nfs/dbraw/zinc/56/86/95/922568695.db2.gz CEHVLRHUJCXFAA-CMPLNLGQSA-N 2 1 309.370 -1.118 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001382207591 922618064 /nfs/dbraw/zinc/61/80/64/922618064.db2.gz KOJGTTSVOAQDTB-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001382211073 922618130 /nfs/dbraw/zinc/61/81/30/922618130.db2.gz PEXRJZNFQPUZPS-NQBHXWOUSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001382211073 922618146 /nfs/dbraw/zinc/61/81/46/922618146.db2.gz PEXRJZNFQPUZPS-NQBHXWOUSA-N 2 1 310.402 -1.278 20 0 DAADMP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001382212202 922622278 /nfs/dbraw/zinc/62/22/78/922622278.db2.gz NQZOGHOQRCTGKN-YPMHNXCESA-N 2 1 312.414 -1.055 20 0 DAADMP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001382212202 922622283 /nfs/dbraw/zinc/62/22/83/922622283.db2.gz NQZOGHOQRCTGKN-YPMHNXCESA-N 2 1 312.414 -1.055 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001382236719 922634051 /nfs/dbraw/zinc/63/40/51/922634051.db2.gz OZUODOKQIRIRFJ-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1 ZINC001382238577 922635565 /nfs/dbraw/zinc/63/55/65/922635565.db2.gz OCWFQKHQTIIIAO-CHWSQXEVSA-N 2 1 314.430 -1.079 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001382270281 922655852 /nfs/dbraw/zinc/65/58/52/922655852.db2.gz BPGAXGQGPFBJRF-GWCFXTLKSA-N 2 1 323.397 -1.075 20 0 DAADMP CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382270813 922656421 /nfs/dbraw/zinc/65/64/21/922656421.db2.gz DRPYYXARJKLTQM-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001382270287 922656814 /nfs/dbraw/zinc/65/68/14/922656814.db2.gz BPGAXGQGPFBJRF-MFKMUULPSA-N 2 1 323.397 -1.075 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001382273624 922658796 /nfs/dbraw/zinc/65/87/96/922658796.db2.gz LRXSJPFGTPOAAU-VXGBXAGGSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC2CC2)C1 ZINC001382275831 922661207 /nfs/dbraw/zinc/66/12/07/922661207.db2.gz UGDKXPXKXUPEBX-QWHCGFSZSA-N 2 1 312.414 -1.469 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC2CC2)C1 ZINC001382275829 922662746 /nfs/dbraw/zinc/66/27/46/922662746.db2.gz UGDKXPXKXUPEBX-OLZOCXBDSA-N 2 1 312.414 -1.469 20 0 DAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001382276841 922662921 /nfs/dbraw/zinc/66/29/21/922662921.db2.gz YYUFGAPHEJOMLR-KBPBESRZSA-N 2 1 322.409 -1.096 20 0 DAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001382276843 922663186 /nfs/dbraw/zinc/66/31/86/922663186.db2.gz YYUFGAPHEJOMLR-KGLIPLIRSA-N 2 1 322.409 -1.096 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001382404189 922725935 /nfs/dbraw/zinc/72/59/35/922725935.db2.gz ZWTCQGQPHLZSMG-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001382403275 922726823 /nfs/dbraw/zinc/72/68/23/922726823.db2.gz AGQHLWNJIRZGJE-NEPJUHHUSA-N 2 1 311.386 -1.136 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382441035 922755867 /nfs/dbraw/zinc/75/58/67/922755867.db2.gz QAVKSUVIYQUYEE-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382441035 922755874 /nfs/dbraw/zinc/75/58/74/922755874.db2.gz QAVKSUVIYQUYEE-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001382447661 922758991 /nfs/dbraw/zinc/75/89/91/922758991.db2.gz YGCMMCBBVMWANI-GFCCVEGCSA-N 2 1 311.386 -1.311 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382444892 922760553 /nfs/dbraw/zinc/76/05/53/922760553.db2.gz POGFGDJYENUZOE-AAEUAGOBSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382476650 922777711 /nfs/dbraw/zinc/77/77/11/922777711.db2.gz BYLBKSVGRLFIML-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382476650 922777725 /nfs/dbraw/zinc/77/77/25/922777725.db2.gz BYLBKSVGRLFIML-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382476650 922777743 /nfs/dbraw/zinc/77/77/43/922777743.db2.gz BYLBKSVGRLFIML-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382476650 922777749 /nfs/dbraw/zinc/77/77/49/922777749.db2.gz BYLBKSVGRLFIML-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382476655 922778493 /nfs/dbraw/zinc/77/84/93/922778493.db2.gz BYLBKSVGRLFIML-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382476655 922778507 /nfs/dbraw/zinc/77/85/07/922778507.db2.gz BYLBKSVGRLFIML-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382476655 922778524 /nfs/dbraw/zinc/77/85/24/922778524.db2.gz BYLBKSVGRLFIML-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382476655 922778532 /nfs/dbraw/zinc/77/85/32/922778532.db2.gz BYLBKSVGRLFIML-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001382627071 922823065 /nfs/dbraw/zinc/82/30/65/922823065.db2.gz BVNIPTJPEZVENX-NEPJUHHUSA-N 2 1 323.397 -1.113 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001382627087 922823074 /nfs/dbraw/zinc/82/30/74/922823074.db2.gz BVNIPTJPEZVENX-RYUDHWBXSA-N 2 1 323.397 -1.113 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001383901155 922965282 /nfs/dbraw/zinc/96/52/82/922965282.db2.gz YWXOGDHJGWTJPE-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001383923156 922976819 /nfs/dbraw/zinc/97/68/19/922976819.db2.gz CYXSRMOEKCMFHF-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383923156 922976834 /nfs/dbraw/zinc/97/68/34/922976834.db2.gz CYXSRMOEKCMFHF-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383923156 922976851 /nfs/dbraw/zinc/97/68/51/922976851.db2.gz CYXSRMOEKCMFHF-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001383926284 922979917 /nfs/dbraw/zinc/97/99/17/922979917.db2.gz KVTSIMYJUPCUCI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383926284 922979935 /nfs/dbraw/zinc/97/99/35/922979935.db2.gz KVTSIMYJUPCUCI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383926284 922979951 /nfs/dbraw/zinc/97/99/51/922979951.db2.gz KVTSIMYJUPCUCI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001385736843 923200721 /nfs/dbraw/zinc/20/07/21/923200721.db2.gz PBFVZSHBDNIMCK-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001385736843 923200736 /nfs/dbraw/zinc/20/07/36/923200736.db2.gz PBFVZSHBDNIMCK-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001385736851 923201226 /nfs/dbraw/zinc/20/12/26/923201226.db2.gz PBFVZSHBDNIMCK-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001385736851 923201247 /nfs/dbraw/zinc/20/12/47/923201247.db2.gz PBFVZSHBDNIMCK-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001387766012 923416798 /nfs/dbraw/zinc/41/67/98/923416798.db2.gz JHXFMSGHHGATGJ-UHFFFAOYSA-N 2 1 312.414 -1.013 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001388672618 923493051 /nfs/dbraw/zinc/49/30/51/923493051.db2.gz RIJVKQIIHCUSAH-RFQIPJPRSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001388672618 923493059 /nfs/dbraw/zinc/49/30/59/923493059.db2.gz RIJVKQIIHCUSAH-RFQIPJPRSA-N 2 1 315.414 -1.191 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001388783635 923503816 /nfs/dbraw/zinc/50/38/16/923503816.db2.gz HXNDXBHQIZKWTF-VWYCJHECSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(N)=O ZINC001388783635 923503830 /nfs/dbraw/zinc/50/38/30/923503830.db2.gz HXNDXBHQIZKWTF-VWYCJHECSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(N)=O ZINC001388783635 923503845 /nfs/dbraw/zinc/50/38/45/923503845.db2.gz HXNDXBHQIZKWTF-VWYCJHECSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(N)=O ZINC001388783635 923503859 /nfs/dbraw/zinc/50/38/59/923503859.db2.gz HXNDXBHQIZKWTF-VWYCJHECSA-N 2 1 311.386 -1.288 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001389095909 923550852 /nfs/dbraw/zinc/55/08/52/923550852.db2.gz ILJQNSUBLGZGPZ-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001389781798 923681367 /nfs/dbraw/zinc/68/13/67/923681367.db2.gz QXEUMEKOPDEBOI-YNEHKIRRSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001389781798 923681380 /nfs/dbraw/zinc/68/13/80/923681380.db2.gz QXEUMEKOPDEBOI-YNEHKIRRSA-N 2 1 301.387 -1.485 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390329615 923728716 /nfs/dbraw/zinc/72/87/16/923728716.db2.gz RTPYSCVVOWZLHU-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390329615 923728728 /nfs/dbraw/zinc/72/87/28/923728728.db2.gz RTPYSCVVOWZLHU-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001390560066 923758852 /nfs/dbraw/zinc/75/88/52/923758852.db2.gz CCIMQMMVRGUJKN-NSHDSACASA-N 2 1 322.369 -1.162 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390861219 923788400 /nfs/dbraw/zinc/78/84/00/923788400.db2.gz FWZJXJIPSOKAMH-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390861219 923788415 /nfs/dbraw/zinc/78/84/15/923788415.db2.gz FWZJXJIPSOKAMH-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390861219 923788430 /nfs/dbraw/zinc/78/84/30/923788430.db2.gz FWZJXJIPSOKAMH-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390861219 923788449 /nfs/dbraw/zinc/78/84/49/923788449.db2.gz FWZJXJIPSOKAMH-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390862785 923790778 /nfs/dbraw/zinc/79/07/78/923790778.db2.gz NUNUGAYOJCDURO-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390862785 923790789 /nfs/dbraw/zinc/79/07/89/923790789.db2.gz NUNUGAYOJCDURO-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390862785 923790794 /nfs/dbraw/zinc/79/07/94/923790794.db2.gz NUNUGAYOJCDURO-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390862785 923790799 /nfs/dbraw/zinc/79/07/99/923790799.db2.gz NUNUGAYOJCDURO-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001391515225 923850719 /nfs/dbraw/zinc/85/07/19/923850719.db2.gz NNDGELFZROLGRJ-GFCCVEGCSA-N 2 1 318.443 -1.465 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880243 923881450 /nfs/dbraw/zinc/88/14/50/923881450.db2.gz CKMUQJHJZTWTQX-NEPJUHHUSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880243 923881458 /nfs/dbraw/zinc/88/14/58/923881458.db2.gz CKMUQJHJZTWTQX-NEPJUHHUSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884137 923882902 /nfs/dbraw/zinc/88/29/02/923882902.db2.gz IWVAYIZIQAMARI-AAEUAGOBSA-N 2 1 310.402 -1.012 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884137 923882912 /nfs/dbraw/zinc/88/29/12/923882912.db2.gz IWVAYIZIQAMARI-AAEUAGOBSA-N 2 1 310.402 -1.012 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392099932 923933861 /nfs/dbraw/zinc/93/38/61/923933861.db2.gz QYHQNFCFXYXZNX-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392149745 923944534 /nfs/dbraw/zinc/94/45/34/923944534.db2.gz ZHKOOHGJQZANLR-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392149754 923944826 /nfs/dbraw/zinc/94/48/26/923944826.db2.gz ZHKOOHGJQZANLR-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392365718 923977655 /nfs/dbraw/zinc/97/76/55/923977655.db2.gz OCNUGOLUQIEEGN-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392375384 923988696 /nfs/dbraw/zinc/98/86/96/923988696.db2.gz NRNWBVHIQNBRIZ-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392375384 923988707 /nfs/dbraw/zinc/98/87/07/923988707.db2.gz NRNWBVHIQNBRIZ-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001392396741 924009636 /nfs/dbraw/zinc/00/96/36/924009636.db2.gz UBVPIYAMRUNUTQ-AVGNSLFASA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401567 924012688 /nfs/dbraw/zinc/01/26/88/924012688.db2.gz MDUMNSAOZXBQSC-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401567 924012701 /nfs/dbraw/zinc/01/27/01/924012701.db2.gz MDUMNSAOZXBQSC-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401563 924013256 /nfs/dbraw/zinc/01/32/56/924013256.db2.gz MDUMNSAOZXBQSC-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401563 924013268 /nfs/dbraw/zinc/01/32/68/924013268.db2.gz MDUMNSAOZXBQSC-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001392407438 924015945 /nfs/dbraw/zinc/01/59/45/924015945.db2.gz HCVIEBQTYYNIFY-QWRGUYRKSA-N 2 1 302.375 -2.351 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392408436 924016022 /nfs/dbraw/zinc/01/60/22/924016022.db2.gz IQNRITSPVAYQAW-VXGBXAGGSA-N 2 1 314.386 -2.336 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392408434 924017699 /nfs/dbraw/zinc/01/76/99/924017699.db2.gz IQNRITSPVAYQAW-RYUDHWBXSA-N 2 1 314.386 -2.336 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392429981 924031991 /nfs/dbraw/zinc/03/19/91/924031991.db2.gz SQOFDDYVAFBNAI-ZJUUUORDSA-N 2 1 315.374 -2.540 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001392620418 924060174 /nfs/dbraw/zinc/06/01/74/924060174.db2.gz VPHXUIMGZKQWJN-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001392620418 924060187 /nfs/dbraw/zinc/06/01/87/924060187.db2.gz VPHXUIMGZKQWJN-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392690871 924066014 /nfs/dbraw/zinc/06/60/14/924066014.db2.gz RNYBUIWUHFIBIE-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392690871 924066023 /nfs/dbraw/zinc/06/60/23/924066023.db2.gz RNYBUIWUHFIBIE-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001392906931 924095219 /nfs/dbraw/zinc/09/52/19/924095219.db2.gz FFGUSSDPQUDRNQ-NXEZZACHSA-N 2 1 311.386 -1.240 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001393247216 924132806 /nfs/dbraw/zinc/13/28/06/924132806.db2.gz BIOKQHAEKOZZJZ-ZFWWWQNUSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001393247216 924132813 /nfs/dbraw/zinc/13/28/13/924132813.db2.gz BIOKQHAEKOZZJZ-ZFWWWQNUSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393271899 924143036 /nfs/dbraw/zinc/14/30/36/924143036.db2.gz HOOCNMXVGLADER-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277018 924147631 /nfs/dbraw/zinc/14/76/31/924147631.db2.gz AFKHGTNAVILBRV-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393283883 924156820 /nfs/dbraw/zinc/15/68/20/924156820.db2.gz TVVYMRJYOUBZHY-UKRRQHHQSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393283883 924156828 /nfs/dbraw/zinc/15/68/28/924156828.db2.gz TVVYMRJYOUBZHY-UKRRQHHQSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393283883 924156835 /nfs/dbraw/zinc/15/68/35/924156835.db2.gz TVVYMRJYOUBZHY-UKRRQHHQSA-N 2 1 317.430 -1.113 20 0 DAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393398303 924196052 /nfs/dbraw/zinc/19/60/52/924196052.db2.gz SSYKLKCLVDTIOP-OLZOCXBDSA-N 2 1 312.414 -1.122 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001393469717 924213469 /nfs/dbraw/zinc/21/34/69/924213469.db2.gz ZPAWESRNMUBPNA-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001393582247 924231385 /nfs/dbraw/zinc/23/13/85/924231385.db2.gz FGRGAMUKSWALMR-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001393582008 924231576 /nfs/dbraw/zinc/23/15/76/924231576.db2.gz GVBWTJRJAIUVRS-ZYHUDNBSSA-N 2 1 309.370 -1.118 20 0 DAADMP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001393700974 924244435 /nfs/dbraw/zinc/24/44/35/924244435.db2.gz VKIVLPKQHMVXRI-HNNXBMFYSA-N 2 1 323.397 -1.119 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001393850987 924264775 /nfs/dbraw/zinc/26/47/75/924264775.db2.gz ABJHMNFEZJBTER-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001393850987 924264787 /nfs/dbraw/zinc/26/47/87/924264787.db2.gz ABJHMNFEZJBTER-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115211 924280114 /nfs/dbraw/zinc/28/01/14/924280114.db2.gz UCLIJPPHGSJMCZ-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115211 924280121 /nfs/dbraw/zinc/28/01/21/924280121.db2.gz UCLIJPPHGSJMCZ-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394115211 924280128 /nfs/dbraw/zinc/28/01/28/924280128.db2.gz UCLIJPPHGSJMCZ-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394115211 924280135 /nfs/dbraw/zinc/28/01/35/924280135.db2.gz UCLIJPPHGSJMCZ-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001394102850 924280241 /nfs/dbraw/zinc/28/02/41/924280241.db2.gz NIBBSEBSGPKTSZ-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001394102850 924280253 /nfs/dbraw/zinc/28/02/53/924280253.db2.gz NIBBSEBSGPKTSZ-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121196 924281773 /nfs/dbraw/zinc/28/17/73/924281773.db2.gz FURKHUHMESRKLT-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121196 924281784 /nfs/dbraw/zinc/28/17/84/924281784.db2.gz FURKHUHMESRKLT-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394121196 924281790 /nfs/dbraw/zinc/28/17/90/924281790.db2.gz FURKHUHMESRKLT-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394121196 924281799 /nfs/dbraw/zinc/28/17/99/924281799.db2.gz FURKHUHMESRKLT-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001394256768 924293816 /nfs/dbraw/zinc/29/38/16/924293816.db2.gz WVZVDVFMMORRET-VHSXEESVSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001394472421 924304351 /nfs/dbraw/zinc/30/43/51/924304351.db2.gz AWBAZYRUOBVFKM-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558882 924307687 /nfs/dbraw/zinc/30/76/87/924307687.db2.gz FBLNQQXKRZRFES-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558882 924307696 /nfs/dbraw/zinc/30/76/96/924307696.db2.gz FBLNQQXKRZRFES-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571226 924311586 /nfs/dbraw/zinc/31/15/86/924311586.db2.gz KBMKEFQHOSRUPX-KBPBESRZSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571226 924311594 /nfs/dbraw/zinc/31/15/94/924311594.db2.gz KBMKEFQHOSRUPX-KBPBESRZSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585331 924322468 /nfs/dbraw/zinc/32/24/68/924322468.db2.gz YONCMVOORPIPTK-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585324 924322574 /nfs/dbraw/zinc/32/25/74/924322574.db2.gz YONCMVOORPIPTK-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585312 924322753 /nfs/dbraw/zinc/32/27/53/924322753.db2.gz YONCMVOORPIPTK-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001394645325 924353463 /nfs/dbraw/zinc/35/34/63/924353463.db2.gz VACFOOWMDOMIPL-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394732193 924366893 /nfs/dbraw/zinc/36/68/93/924366893.db2.gz RDAIBQMBMLKDDK-STQMWFEESA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394732193 924366898 /nfs/dbraw/zinc/36/68/98/924366898.db2.gz RDAIBQMBMLKDDK-STQMWFEESA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001394759399 924381503 /nfs/dbraw/zinc/38/15/03/924381503.db2.gz SYMSTXQCZPDYPY-LBPRGKRZSA-N 2 1 322.413 -1.180 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786340 924389342 /nfs/dbraw/zinc/38/93/42/924389342.db2.gz RYOOINPSWWMHTC-AAEUAGOBSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786340 924389353 /nfs/dbraw/zinc/38/93/53/924389353.db2.gz RYOOINPSWWMHTC-AAEUAGOBSA-N 2 1 314.430 -1.047 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001394784381 924389611 /nfs/dbraw/zinc/38/96/11/924389611.db2.gz NDINQHPOQZBPAV-LBPRGKRZSA-N 2 1 302.419 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001394784381 924389617 /nfs/dbraw/zinc/38/96/17/924389617.db2.gz NDINQHPOQZBPAV-LBPRGKRZSA-N 2 1 302.419 -1.223 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395733528 924453934 /nfs/dbraw/zinc/45/39/34/924453934.db2.gz LWOXHWPIVMMJNL-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395733528 924453942 /nfs/dbraw/zinc/45/39/42/924453942.db2.gz LWOXHWPIVMMJNL-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001396036100 924503567 /nfs/dbraw/zinc/50/35/67/924503567.db2.gz NKIAPSXNHRZJDU-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001397112505 924557165 /nfs/dbraw/zinc/55/71/65/924557165.db2.gz IXYXLSNSSWJKRI-CYDGBPFRSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001397112505 924557172 /nfs/dbraw/zinc/55/71/72/924557172.db2.gz IXYXLSNSSWJKRI-CYDGBPFRSA-N 2 1 312.414 -1.064 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001398430051 924640534 /nfs/dbraw/zinc/64/05/34/924640534.db2.gz ZMAKQIWYUXDGFG-LLVKDONJSA-N 2 1 322.369 -1.129 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398616219 924656908 /nfs/dbraw/zinc/65/69/08/924656908.db2.gz SYUWRCYOMWZFAH-AOOOYVTPSA-N 2 1 308.342 -1.377 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001398997764 924684245 /nfs/dbraw/zinc/68/42/45/924684245.db2.gz GECVGSSVVONAOJ-SECBINFHSA-N 2 1 310.358 -1.259 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001399573954 924710586 /nfs/dbraw/zinc/71/05/86/924710586.db2.gz UNIMJSSJJPFUCB-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001399573954 924710595 /nfs/dbraw/zinc/71/05/95/924710595.db2.gz UNIMJSSJJPFUCB-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399857448 924747439 /nfs/dbraw/zinc/74/74/39/924747439.db2.gz SBVMZKTUVKHSBX-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399857448 924747446 /nfs/dbraw/zinc/74/74/46/924747446.db2.gz SBVMZKTUVKHSBX-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399857448 924747449 /nfs/dbraw/zinc/74/74/49/924747449.db2.gz SBVMZKTUVKHSBX-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001400064378 924769196 /nfs/dbraw/zinc/76/91/96/924769196.db2.gz YYAKCMIKHHFKMW-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001400064378 924769203 /nfs/dbraw/zinc/76/92/03/924769203.db2.gz YYAKCMIKHHFKMW-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001400064389 924769730 /nfs/dbraw/zinc/76/97/30/924769730.db2.gz YYAKCMIKHHFKMW-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001400064389 924769737 /nfs/dbraw/zinc/76/97/37/924769737.db2.gz YYAKCMIKHHFKMW-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)CN2CCCC2)C1 ZINC001400689865 924825141 /nfs/dbraw/zinc/82/51/41/924825141.db2.gz PFMQXESEUQVXLV-WDEREUQCSA-N 2 1 311.386 -1.144 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001401147694 924844180 /nfs/dbraw/zinc/84/41/80/924844180.db2.gz YWWCBLMVWDRWSV-VIFPVBQESA-N 2 1 310.358 -1.272 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254808 924853686 /nfs/dbraw/zinc/85/36/86/924853686.db2.gz OUTVHBBVERZGPE-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254808 924853695 /nfs/dbraw/zinc/85/36/95/924853695.db2.gz OUTVHBBVERZGPE-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001401518991 924874576 /nfs/dbraw/zinc/87/45/76/924874576.db2.gz YNKWTJJGRZFFDN-FRRDWIJNSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401536780 924876934 /nfs/dbraw/zinc/87/69/34/924876934.db2.gz IZOVHRAKZJYOGG-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401541161 924878784 /nfs/dbraw/zinc/87/87/84/924878784.db2.gz NXOLKQCTNXWTQM-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001401560282 924889883 /nfs/dbraw/zinc/88/98/83/924889883.db2.gz NKTMNKIWMKSGTM-RYUDHWBXSA-N 2 1 300.403 -1.199 20 0 DAADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001401560264 924891142 /nfs/dbraw/zinc/89/11/42/924891142.db2.gz NKTMNKIWMKSGTM-NWDGAFQWSA-N 2 1 300.403 -1.199 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001401563100 924891959 /nfs/dbraw/zinc/89/19/59/924891959.db2.gz VMHHJXMEZIUNOL-QMTHXVAHSA-N 2 1 318.393 -1.249 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401563340 924892049 /nfs/dbraw/zinc/89/20/49/924892049.db2.gz JFMPQNWVFRZSAY-LBPRGKRZSA-N 2 1 309.370 -1.509 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401562057 924893239 /nfs/dbraw/zinc/89/32/39/924893239.db2.gz TZWZQGIFXUHRIG-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001401581485 924901017 /nfs/dbraw/zinc/90/10/17/924901017.db2.gz KZPDWQYWHJTDBR-AAEUAGOBSA-N 2 1 312.414 -1.327 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402268209 924958470 /nfs/dbraw/zinc/95/84/70/924958470.db2.gz PLAJLGNAKBLIKG-CYBMUJFWSA-N 2 1 315.374 -2.314 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402268209 924958479 /nfs/dbraw/zinc/95/84/79/924958479.db2.gz PLAJLGNAKBLIKG-CYBMUJFWSA-N 2 1 315.374 -2.314 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275651 924961120 /nfs/dbraw/zinc/96/11/20/924961120.db2.gz RZTCQVXCLATKMD-BXUZGUMPSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275651 924961126 /nfs/dbraw/zinc/96/11/26/924961126.db2.gz RZTCQVXCLATKMD-BXUZGUMPSA-N 2 1 312.414 -1.103 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402288768 924965616 /nfs/dbraw/zinc/96/56/16/924965616.db2.gz LASWCYMOOVYKMG-SWLSCSKDSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402288768 924965622 /nfs/dbraw/zinc/96/56/22/924965622.db2.gz LASWCYMOOVYKMG-SWLSCSKDSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402288768 924965629 /nfs/dbraw/zinc/96/56/29/924965629.db2.gz LASWCYMOOVYKMG-SWLSCSKDSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402288768 924965632 /nfs/dbraw/zinc/96/56/32/924965632.db2.gz LASWCYMOOVYKMG-SWLSCSKDSA-N 2 1 312.414 -1.421 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001402310018 924971698 /nfs/dbraw/zinc/97/16/98/924971698.db2.gz HWYBEHMEHXOUQW-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CCN1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001402310018 924971701 /nfs/dbraw/zinc/97/17/01/924971701.db2.gz HWYBEHMEHXOUQW-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313470 924972794 /nfs/dbraw/zinc/97/27/94/924972794.db2.gz JQIREVCTKGISLH-ABAIWWIYSA-N 2 1 310.398 -1.491 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313470 924972803 /nfs/dbraw/zinc/97/28/03/924972803.db2.gz JQIREVCTKGISLH-ABAIWWIYSA-N 2 1 310.398 -1.491 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402758590 925027123 /nfs/dbraw/zinc/02/71/23/925027123.db2.gz KBGVXHPGRYNRQS-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402758590 925027131 /nfs/dbraw/zinc/02/71/31/925027131.db2.gz KBGVXHPGRYNRQS-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402894660 925039216 /nfs/dbraw/zinc/03/92/16/925039216.db2.gz RHZAYTICYPPPDJ-GFCCVEGCSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402894660 925039224 /nfs/dbraw/zinc/03/92/24/925039224.db2.gz RHZAYTICYPPPDJ-GFCCVEGCSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360631 925073665 /nfs/dbraw/zinc/07/36/65/925073665.db2.gz OEELJDDONFHQGT-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360631 925073675 /nfs/dbraw/zinc/07/36/75/925073675.db2.gz OEELJDDONFHQGT-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403624184 925090586 /nfs/dbraw/zinc/09/05/86/925090586.db2.gz OEMMXEHRMCDPFT-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP O=C(C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1 ZINC001403658177 925103148 /nfs/dbraw/zinc/10/31/48/925103148.db2.gz BUBIAAARIBHMRS-ZDUSSCGKSA-N 2 1 324.425 -1.040 20 0 DAADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403727666 925130849 /nfs/dbraw/zinc/13/08/49/925130849.db2.gz BRADVLZFSKNJOU-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403727666 925130834 /nfs/dbraw/zinc/13/08/34/925130834.db2.gz BRADVLZFSKNJOU-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403727666 925130838 /nfs/dbraw/zinc/13/08/38/925130838.db2.gz BRADVLZFSKNJOU-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001403727666 925130843 /nfs/dbraw/zinc/13/08/43/925130843.db2.gz BRADVLZFSKNJOU-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731934 925131809 /nfs/dbraw/zinc/13/18/09/925131809.db2.gz RCICLEMJHPQSHR-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001403873017 925160741 /nfs/dbraw/zinc/16/07/41/925160741.db2.gz FFMPZQDORUBMGG-NEPJUHHUSA-N 2 1 302.419 -1.130 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891293 925165525 /nfs/dbraw/zinc/16/55/25/925165525.db2.gz BVBXGMDQQDTCGQ-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001403924008 925172410 /nfs/dbraw/zinc/17/24/10/925172410.db2.gz YAPJXEIOPIHHLX-KBPBESRZSA-N 2 1 317.430 -1.302 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404041528 925180594 /nfs/dbraw/zinc/18/05/94/925180594.db2.gz PCQBLVRBUDYNEN-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404041528 925180599 /nfs/dbraw/zinc/18/05/99/925180599.db2.gz PCQBLVRBUDYNEN-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404041528 925180603 /nfs/dbraw/zinc/18/06/03/925180603.db2.gz PCQBLVRBUDYNEN-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001404265582 925188967 /nfs/dbraw/zinc/18/89/67/925188967.db2.gz REKWRMXJQYUREZ-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001404265582 925188974 /nfs/dbraw/zinc/18/89/74/925188974.db2.gz REKWRMXJQYUREZ-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001404308016 925189648 /nfs/dbraw/zinc/18/96/48/925189648.db2.gz BFVNHFMRNVXUNY-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001404308016 925189654 /nfs/dbraw/zinc/18/96/54/925189654.db2.gz BFVNHFMRNVXUNY-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001404308013 925189920 /nfs/dbraw/zinc/18/99/20/925189920.db2.gz BFVNHFMRNVXUNY-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001404308013 925189928 /nfs/dbraw/zinc/18/99/28/925189928.db2.gz BFVNHFMRNVXUNY-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001404308010 925190661 /nfs/dbraw/zinc/19/06/61/925190661.db2.gz BFVNHFMRNVXUNY-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001404308010 925190665 /nfs/dbraw/zinc/19/06/65/925190665.db2.gz BFVNHFMRNVXUNY-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001404624905 925206555 /nfs/dbraw/zinc/20/65/55/925206555.db2.gz KBGVXHPGRYNRQS-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001404624905 925206561 /nfs/dbraw/zinc/20/65/61/925206561.db2.gz KBGVXHPGRYNRQS-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001405027216 925232840 /nfs/dbraw/zinc/23/28/40/925232840.db2.gz FGINTZTYCXRHMF-NSHDSACASA-N 2 1 306.432 -1.322 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001405027216 925232845 /nfs/dbraw/zinc/23/28/45/925232845.db2.gz FGINTZTYCXRHMF-NSHDSACASA-N 2 1 306.432 -1.322 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001405085009 925236696 /nfs/dbraw/zinc/23/66/96/925236696.db2.gz TZPJRGXGNVELLE-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001405085009 925236706 /nfs/dbraw/zinc/23/67/06/925236706.db2.gz TZPJRGXGNVELLE-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C[C@H](O)COC)C2)C1 ZINC001405085009 925236714 /nfs/dbraw/zinc/23/67/14/925236714.db2.gz TZPJRGXGNVELLE-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001405085009 925236724 /nfs/dbraw/zinc/23/67/24/925236724.db2.gz TZPJRGXGNVELLE-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC001405292661 925280254 /nfs/dbraw/zinc/28/02/54/925280254.db2.gz QRRGHUCVNSUKEY-GRYCIOLGSA-N 2 1 323.397 -1.114 20 0 DAADMP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001406253166 925376813 /nfs/dbraw/zinc/37/68/13/925376813.db2.gz WYIQAIKVWOCZOA-QWHCGFSZSA-N 2 1 312.414 -1.055 20 0 DAADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406254106 925379615 /nfs/dbraw/zinc/37/96/15/925379615.db2.gz MTPBUGGENQRIQU-NEPJUHHUSA-N 2 1 300.403 -1.341 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001406255351 925380362 /nfs/dbraw/zinc/38/03/62/925380362.db2.gz ZFTSASUOLIBHGT-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406255351 925380369 /nfs/dbraw/zinc/38/03/69/925380369.db2.gz ZFTSASUOLIBHGT-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001406266476 925385225 /nfs/dbraw/zinc/38/52/25/925385225.db2.gz MKYVKMIBWIXWEI-QWRGUYRKSA-N 2 1 311.386 -1.053 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001406266480 925385833 /nfs/dbraw/zinc/38/58/33/925385833.db2.gz MKYVKMIBWIXWEI-WDEREUQCSA-N 2 1 311.386 -1.053 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406284160 925394445 /nfs/dbraw/zinc/39/44/45/925394445.db2.gz JXZQMMNUQONPGP-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406284148 925395016 /nfs/dbraw/zinc/39/50/16/925395016.db2.gz JXZQMMNUQONPGP-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001406412004 925414696 /nfs/dbraw/zinc/41/46/96/925414696.db2.gz VBQODJPMYCFJFV-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406709348 925428220 /nfs/dbraw/zinc/42/82/20/925428220.db2.gz UXMYGFYJTGSKJF-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406709348 925428225 /nfs/dbraw/zinc/42/82/25/925428225.db2.gz UXMYGFYJTGSKJF-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406709348 925428228 /nfs/dbraw/zinc/42/82/28/925428228.db2.gz UXMYGFYJTGSKJF-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406709348 925428233 /nfs/dbraw/zinc/42/82/33/925428233.db2.gz UXMYGFYJTGSKJF-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186398 925459549 /nfs/dbraw/zinc/45/95/49/925459549.db2.gz TUVGJPDTOQKBAA-IINYFYTJSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186398 925459554 /nfs/dbraw/zinc/45/95/54/925459554.db2.gz TUVGJPDTOQKBAA-IINYFYTJSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186398 925459558 /nfs/dbraw/zinc/45/95/58/925459558.db2.gz TUVGJPDTOQKBAA-IINYFYTJSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186398 925459562 /nfs/dbraw/zinc/45/95/62/925459562.db2.gz TUVGJPDTOQKBAA-IINYFYTJSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407227676 925460190 /nfs/dbraw/zinc/46/01/90/925460190.db2.gz HXLDIQGWKWHYAZ-WFASDCNBSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407227676 925460195 /nfs/dbraw/zinc/46/01/95/925460195.db2.gz HXLDIQGWKWHYAZ-WFASDCNBSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001407664478 925516154 /nfs/dbraw/zinc/51/61/54/925516154.db2.gz COEAOVUFSLMRBV-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001407664495 925516695 /nfs/dbraw/zinc/51/66/95/925516695.db2.gz COEAOVUFSLMRBV-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001408147392 925550759 /nfs/dbraw/zinc/55/07/59/925550759.db2.gz WGSSZLCYAHESDE-LBPRGKRZSA-N 2 1 312.414 -1.101 20 0 DAADMP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001409108391 925616256 /nfs/dbraw/zinc/61/62/56/925616256.db2.gz PYGQPMBMQHNMAG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001409108391 925616259 /nfs/dbraw/zinc/61/62/59/925616259.db2.gz PYGQPMBMQHNMAG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001409108391 925616264 /nfs/dbraw/zinc/61/62/64/925616264.db2.gz PYGQPMBMQHNMAG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001409108391 925616268 /nfs/dbraw/zinc/61/62/68/925616268.db2.gz PYGQPMBMQHNMAG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)CC(N)=O ZINC001409638401 925640590 /nfs/dbraw/zinc/64/05/90/925640590.db2.gz CROAGBKAROFOSN-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)CC(N)=O ZINC001409638401 925640592 /nfs/dbraw/zinc/64/05/92/925640592.db2.gz CROAGBKAROFOSN-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001409686847 925643308 /nfs/dbraw/zinc/64/33/08/925643308.db2.gz NHEHIOXCEYYZHJ-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001409686847 925643317 /nfs/dbraw/zinc/64/33/17/925643317.db2.gz NHEHIOXCEYYZHJ-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001409686847 925643321 /nfs/dbraw/zinc/64/33/21/925643321.db2.gz NHEHIOXCEYYZHJ-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001409686847 925643327 /nfs/dbraw/zinc/64/33/27/925643327.db2.gz NHEHIOXCEYYZHJ-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001409686782 925644433 /nfs/dbraw/zinc/64/44/33/925644433.db2.gz NHEHIOXCEYYZHJ-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001409686782 925644439 /nfs/dbraw/zinc/64/44/39/925644439.db2.gz NHEHIOXCEYYZHJ-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001409686782 925644444 /nfs/dbraw/zinc/64/44/44/925644444.db2.gz NHEHIOXCEYYZHJ-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001409686782 925644448 /nfs/dbraw/zinc/64/44/48/925644448.db2.gz NHEHIOXCEYYZHJ-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001410135432 925692968 /nfs/dbraw/zinc/69/29/68/925692968.db2.gz ZLEDAUGOAZLMEJ-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001410698136 925760069 /nfs/dbraw/zinc/76/00/69/925760069.db2.gz IVVXUHMHZCJSIB-WDEREUQCSA-N 2 1 300.403 -1.199 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001410754554 925771854 /nfs/dbraw/zinc/77/18/54/925771854.db2.gz OTMHBJOZYQYNLC-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410770007 925776210 /nfs/dbraw/zinc/77/62/10/925776210.db2.gz JLQRGHPLIIGQKL-NEPJUHHUSA-N 2 1 314.386 -2.336 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001411036814 925803442 /nfs/dbraw/zinc/80/34/42/925803442.db2.gz BSRREHCTTIDDBF-ZYHUDNBSSA-N 2 1 300.403 -1.247 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411053952 925807771 /nfs/dbraw/zinc/80/77/71/925807771.db2.gz SYMSMGWXPBYOJC-LBPRGKRZSA-N 2 1 311.386 -1.311 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411084603 925809739 /nfs/dbraw/zinc/80/97/39/925809739.db2.gz FLKMIGNSOMEYLG-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001411129599 925814966 /nfs/dbraw/zinc/81/49/66/925814966.db2.gz RTXBJBXYILOQRR-NWDGAFQWSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129599 925814976 /nfs/dbraw/zinc/81/49/76/925814976.db2.gz RTXBJBXYILOQRR-NWDGAFQWSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001411129590 925816222 /nfs/dbraw/zinc/81/62/22/925816222.db2.gz RTXBJBXYILOQRR-NEPJUHHUSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129590 925816228 /nfs/dbraw/zinc/81/62/28/925816228.db2.gz RTXBJBXYILOQRR-NEPJUHHUSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001411129623 925816736 /nfs/dbraw/zinc/81/67/36/925816736.db2.gz RTXBJBXYILOQRR-VXGBXAGGSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129623 925816741 /nfs/dbraw/zinc/81/67/41/925816741.db2.gz RTXBJBXYILOQRR-VXGBXAGGSA-N 2 1 310.402 -1.026 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001411180206 925829152 /nfs/dbraw/zinc/82/91/52/925829152.db2.gz OEYUIJBOMVNAOI-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001411180206 925829163 /nfs/dbraw/zinc/82/91/63/925829163.db2.gz OEYUIJBOMVNAOI-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001411180206 925829179 /nfs/dbraw/zinc/82/91/79/925829179.db2.gz OEYUIJBOMVNAOI-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001411180210 925830818 /nfs/dbraw/zinc/83/08/18/925830818.db2.gz OEYUIJBOMVNAOI-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001411180210 925830828 /nfs/dbraw/zinc/83/08/28/925830828.db2.gz OEYUIJBOMVNAOI-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001411180210 925830837 /nfs/dbraw/zinc/83/08/37/925830837.db2.gz OEYUIJBOMVNAOI-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190838 925831507 /nfs/dbraw/zinc/83/15/07/925831507.db2.gz NOAAAPOWLLYPGU-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411181011 925832155 /nfs/dbraw/zinc/83/21/55/925832155.db2.gz PNGHXRYTYODACG-GFCCVEGCSA-N 2 1 312.414 -1.421 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411181011 925832160 /nfs/dbraw/zinc/83/21/60/925832160.db2.gz PNGHXRYTYODACG-GFCCVEGCSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001411185240 925832407 /nfs/dbraw/zinc/83/24/07/925832407.db2.gz AHMHKXDAUVXYFA-SNVBAGLBSA-N 2 1 317.390 -2.116 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001411185240 925832413 /nfs/dbraw/zinc/83/24/13/925832413.db2.gz AHMHKXDAUVXYFA-SNVBAGLBSA-N 2 1 317.390 -2.116 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O ZINC001411216464 925833176 /nfs/dbraw/zinc/83/31/76/925833176.db2.gz NXEVSHFNUQGPKN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001411216464 925833157 /nfs/dbraw/zinc/83/31/57/925833157.db2.gz NXEVSHFNUQGPKN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](C)O ZINC001411216464 925833167 /nfs/dbraw/zinc/83/31/67/925833167.db2.gz NXEVSHFNUQGPKN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O ZINC001411216464 925833185 /nfs/dbraw/zinc/83/31/85/925833185.db2.gz NXEVSHFNUQGPKN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001411216460 925833605 /nfs/dbraw/zinc/83/36/05/925833605.db2.gz NXEVSHFNUQGPKN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001411216460 925833612 /nfs/dbraw/zinc/83/36/12/925833612.db2.gz NXEVSHFNUQGPKN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001411216460 925833621 /nfs/dbraw/zinc/83/36/21/925833621.db2.gz NXEVSHFNUQGPKN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001411216460 925833629 /nfs/dbraw/zinc/83/36/29/925833629.db2.gz NXEVSHFNUQGPKN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001415504254 926188421 /nfs/dbraw/zinc/18/84/21/926188421.db2.gz XSDXRCBJTFIMOX-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001415504254 926188427 /nfs/dbraw/zinc/18/84/27/926188427.db2.gz XSDXRCBJTFIMOX-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415504254 926188432 /nfs/dbraw/zinc/18/84/32/926188432.db2.gz XSDXRCBJTFIMOX-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415504254 926188439 /nfs/dbraw/zinc/18/84/39/926188439.db2.gz XSDXRCBJTFIMOX-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001415504253 926188996 /nfs/dbraw/zinc/18/89/96/926188996.db2.gz XSDXRCBJTFIMOX-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001415504253 926188999 /nfs/dbraw/zinc/18/89/99/926188999.db2.gz XSDXRCBJTFIMOX-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415504253 926189003 /nfs/dbraw/zinc/18/90/03/926189003.db2.gz XSDXRCBJTFIMOX-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415504253 926189005 /nfs/dbraw/zinc/18/90/05/926189005.db2.gz XSDXRCBJTFIMOX-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001418073455 926363225 /nfs/dbraw/zinc/36/32/25/926363225.db2.gz GARGMAJYIBJHLQ-PGUXBMHVSA-N 2 1 323.397 -1.096 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418330329 926383358 /nfs/dbraw/zinc/38/33/58/926383358.db2.gz LBNGPWBBCVNUIB-QWRGUYRKSA-N 2 1 311.386 -1.144 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001418350687 926384760 /nfs/dbraw/zinc/38/47/60/926384760.db2.gz JYEUYPHWOAVEGX-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001418350688 926384944 /nfs/dbraw/zinc/38/49/44/926384944.db2.gz JYEUYPHWOAVEGX-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418611721 926409340 /nfs/dbraw/zinc/40/93/40/926409340.db2.gz AKNAGWBJJBLFEK-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418611721 926409345 /nfs/dbraw/zinc/40/93/45/926409345.db2.gz AKNAGWBJJBLFEK-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799394 926422530 /nfs/dbraw/zinc/42/25/30/926422530.db2.gz WZYXKLGXDXWXKU-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799394 926422539 /nfs/dbraw/zinc/42/25/39/926422539.db2.gz WZYXKLGXDXWXKU-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799394 926422542 /nfs/dbraw/zinc/42/25/42/926422542.db2.gz WZYXKLGXDXWXKU-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799394 926422547 /nfs/dbraw/zinc/42/25/47/926422547.db2.gz WZYXKLGXDXWXKU-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419173589 926464015 /nfs/dbraw/zinc/46/40/15/926464015.db2.gz GFJKTDITUJQPOM-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419173589 926464021 /nfs/dbraw/zinc/46/40/21/926464021.db2.gz GFJKTDITUJQPOM-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001419367949 926473378 /nfs/dbraw/zinc/47/33/78/926473378.db2.gz LBNGPWBBCVNUIB-WDEREUQCSA-N 2 1 311.386 -1.144 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419643084 926492158 /nfs/dbraw/zinc/49/21/58/926492158.db2.gz CNKIUMMCRQUPQZ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419643084 926492161 /nfs/dbraw/zinc/49/21/61/926492161.db2.gz CNKIUMMCRQUPQZ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419643082 926493175 /nfs/dbraw/zinc/49/31/75/926493175.db2.gz CNKIUMMCRQUPQZ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419643082 926493178 /nfs/dbraw/zinc/49/31/78/926493178.db2.gz CNKIUMMCRQUPQZ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420138621 926538527 /nfs/dbraw/zinc/53/85/27/926538527.db2.gz LWORUSBRGTUGPT-CMPLNLGQSA-N 2 1 300.403 -1.328 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420138630 926540064 /nfs/dbraw/zinc/54/00/64/926540064.db2.gz LWORUSBRGTUGPT-PWSUYJOCSA-N 2 1 300.403 -1.328 20 0 DAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC2 ZINC001420156046 926546007 /nfs/dbraw/zinc/54/60/07/926546007.db2.gz PBUHYHBWELJZKO-PWSUYJOCSA-N 2 1 309.370 -1.694 20 0 DAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C2 ZINC001420172092 926551521 /nfs/dbraw/zinc/55/15/21/926551521.db2.gz JXJSFPNRVSYJLZ-PWSUYJOCSA-N 2 1 309.370 -1.694 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001420174323 926551998 /nfs/dbraw/zinc/55/19/98/926551998.db2.gz KNBOGPZUKNIZFW-CMPLNLGQSA-N 2 1 313.406 -1.637 20 0 DAADMP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001420194896 926560259 /nfs/dbraw/zinc/56/02/59/926560259.db2.gz LDAFEYDEMSPUHM-ZDUSSCGKSA-N 2 1 322.413 -1.040 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001420204097 926563048 /nfs/dbraw/zinc/56/30/48/926563048.db2.gz YVDTXDWFMVMETK-CYBMUJFWSA-N 2 1 322.413 -1.040 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001420204098 926563543 /nfs/dbraw/zinc/56/35/43/926563543.db2.gz YVDTXDWFMVMETK-ZDUSSCGKSA-N 2 1 322.413 -1.040 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334433 926582262 /nfs/dbraw/zinc/58/22/62/926582262.db2.gz QBULACICCFXNIZ-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334433 926582270 /nfs/dbraw/zinc/58/22/70/926582270.db2.gz QBULACICCFXNIZ-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001420501988 926596944 /nfs/dbraw/zinc/59/69/44/926596944.db2.gz NQVLHAMULAYYHV-JTQLQIEISA-N 2 1 301.391 -1.122 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001420736420 926612035 /nfs/dbraw/zinc/61/20/35/926612035.db2.gz APYUYJJFJSCICB-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001420736420 926612043 /nfs/dbraw/zinc/61/20/43/926612043.db2.gz APYUYJJFJSCICB-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001420736418 926613370 /nfs/dbraw/zinc/61/33/70/926613370.db2.gz APYUYJJFJSCICB-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001420736418 926613376 /nfs/dbraw/zinc/61/33/76/926613376.db2.gz APYUYJJFJSCICB-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001421368358 926677404 /nfs/dbraw/zinc/67/74/04/926677404.db2.gz YSDUDKRVFPQRRD-DOMZBBRYSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001421368358 926677411 /nfs/dbraw/zinc/67/74/11/926677411.db2.gz YSDUDKRVFPQRRD-DOMZBBRYSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379751 926678252 /nfs/dbraw/zinc/67/82/52/926678252.db2.gz TYEXPGHXULOFFM-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379751 926678258 /nfs/dbraw/zinc/67/82/58/926678258.db2.gz TYEXPGHXULOFFM-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001421674081 926742747 /nfs/dbraw/zinc/74/27/47/926742747.db2.gz IYOCKWOHJHLXGG-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421765468 926751653 /nfs/dbraw/zinc/75/16/53/926751653.db2.gz GDXPMROTJPWEMM-GHMZBOCLSA-N 2 1 313.402 -1.264 20 0 DAADMP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001421819092 926764016 /nfs/dbraw/zinc/76/40/16/926764016.db2.gz JWJQRZYHSZVVQZ-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001422109992 926790673 /nfs/dbraw/zinc/79/06/73/926790673.db2.gz XKQSFQIATXCVRC-UHFFFAOYSA-N 2 1 300.403 -1.243 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001422307470 926822351 /nfs/dbraw/zinc/82/23/51/926822351.db2.gz FBTDWLYVHVOFFX-GRYCIOLGSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001422307470 926822358 /nfs/dbraw/zinc/82/23/58/926822358.db2.gz FBTDWLYVHVOFFX-GRYCIOLGSA-N 2 1 310.402 -1.278 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001422358728 926849126 /nfs/dbraw/zinc/84/91/26/926849126.db2.gz HZBUDSYNOQFUKH-YPMHNXCESA-N 2 1 323.397 -1.433 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422366417 926851805 /nfs/dbraw/zinc/85/18/05/926851805.db2.gz ZQLKDLWZXTUZTE-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001422362415 926852912 /nfs/dbraw/zinc/85/29/12/926852912.db2.gz PEHQRMKCFPXRSZ-NWDGAFQWSA-N 2 1 314.430 -1.081 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001422379126 926854690 /nfs/dbraw/zinc/85/46/90/926854690.db2.gz KHKNKYWJBSFOFA-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001422402753 926861979 /nfs/dbraw/zinc/86/19/79/926861979.db2.gz KLLMMMOZEVNSDB-LBPRGKRZSA-N 2 1 309.370 -1.463 20 0 DAADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001422432416 926873140 /nfs/dbraw/zinc/87/31/40/926873140.db2.gz XFYUYXUPPQLXMG-GXTWGEPZSA-N 2 1 308.382 -1.159 20 0 DAADMP C[NH+](C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001422432429 926873704 /nfs/dbraw/zinc/87/37/04/926873704.db2.gz XFYUYXUPPQLXMG-OCCSQVGLSA-N 2 1 308.382 -1.159 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001422908080 926929322 /nfs/dbraw/zinc/92/93/22/926929322.db2.gz ZPYUZKKPDCSYNK-JOCQHMNTSA-N 2 1 312.414 -1.061 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423046796 926939649 /nfs/dbraw/zinc/93/96/49/926939649.db2.gz QIFYLIOZCNEWAG-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423046796 926939656 /nfs/dbraw/zinc/93/96/56/926939656.db2.gz QIFYLIOZCNEWAG-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCC1 ZINC001423213129 926973428 /nfs/dbraw/zinc/97/34/28/926973428.db2.gz FTSAEJNSPDOQAC-LLVKDONJSA-N 2 1 300.403 -1.197 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001423230177 926986630 /nfs/dbraw/zinc/98/66/30/926986630.db2.gz MJFDBVQZZWHBMV-WCQYABFASA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001423230177 926986639 /nfs/dbraw/zinc/98/66/39/926986639.db2.gz MJFDBVQZZWHBMV-WCQYABFASA-N 2 1 310.402 -1.134 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001423264020 927007029 /nfs/dbraw/zinc/00/70/29/927007029.db2.gz OOHKRMGOQDCECE-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001423264020 927007041 /nfs/dbraw/zinc/00/70/41/927007041.db2.gz OOHKRMGOQDCECE-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001423301970 927022165 /nfs/dbraw/zinc/02/21/65/927022165.db2.gz UOKRHVVXEOWACS-AAEUAGOBSA-N 2 1 312.414 -1.327 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423483049 927075381 /nfs/dbraw/zinc/07/53/81/927075381.db2.gz IWDYVAOACGVERZ-DGCLKSJQSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423483049 927075393 /nfs/dbraw/zinc/07/53/93/927075393.db2.gz IWDYVAOACGVERZ-DGCLKSJQSA-N 2 1 310.402 -1.324 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001423492667 927075975 /nfs/dbraw/zinc/07/59/75/927075975.db2.gz IGILOQFQGDQZFS-NEPJUHHUSA-N 2 1 300.403 -1.376 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1ccnc1 ZINC001423547706 927091062 /nfs/dbraw/zinc/09/10/62/927091062.db2.gz VKUUTAGTDDONJA-CHWSQXEVSA-N 2 1 323.397 -1.135 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1ccnc1 ZINC001423547717 927093522 /nfs/dbraw/zinc/09/35/22/927093522.db2.gz VKUUTAGTDDONJA-STQMWFEESA-N 2 1 323.397 -1.135 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCO)CCOCC1 ZINC001423717060 927109028 /nfs/dbraw/zinc/10/90/28/927109028.db2.gz JWHXWACZLVZVSA-UHFFFAOYSA-N 2 1 315.414 -1.044 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001423762181 927119034 /nfs/dbraw/zinc/11/90/34/927119034.db2.gz LTUJRKRQNHMYBU-ZOWXZIJZSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001423762181 927119038 /nfs/dbraw/zinc/11/90/38/927119038.db2.gz LTUJRKRQNHMYBU-ZOWXZIJZSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001423762181 927119040 /nfs/dbraw/zinc/11/90/40/927119040.db2.gz LTUJRKRQNHMYBU-ZOWXZIJZSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001423762181 927119045 /nfs/dbraw/zinc/11/90/45/927119045.db2.gz LTUJRKRQNHMYBU-ZOWXZIJZSA-N 2 1 312.414 -1.245 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800575 927134598 /nfs/dbraw/zinc/13/45/98/927134598.db2.gz LILJIQPJUSQOFH-CJNGLKHVSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800575 927134610 /nfs/dbraw/zinc/13/46/10/927134610.db2.gz LILJIQPJUSQOFH-CJNGLKHVSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800575 927134621 /nfs/dbraw/zinc/13/46/21/927134621.db2.gz LILJIQPJUSQOFH-CJNGLKHVSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800575 927134634 /nfs/dbraw/zinc/13/46/34/927134634.db2.gz LILJIQPJUSQOFH-CJNGLKHVSA-N 2 1 324.425 -1.277 20 0 DAADMP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001424049045 927189516 /nfs/dbraw/zinc/18/95/16/927189516.db2.gz JNDQYBARKHXFLC-CHWSQXEVSA-N 2 1 312.414 -1.421 20 0 DAADMP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001424064810 927190984 /nfs/dbraw/zinc/19/09/84/927190984.db2.gz HJYDXXOABVQYGQ-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001424244821 927214671 /nfs/dbraw/zinc/21/46/71/927214671.db2.gz VELAQTGKWMTCNS-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424399213 927232597 /nfs/dbraw/zinc/23/25/97/927232597.db2.gz FFEHDIQBTONXDV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424399213 927232605 /nfs/dbraw/zinc/23/26/05/927232605.db2.gz FFEHDIQBTONXDV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001424544875 927241455 /nfs/dbraw/zinc/24/14/55/927241455.db2.gz AQTAUDKGLHXDKT-LBPRGKRZSA-N 2 1 312.414 -1.243 20 0 DAADMP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001424543019 927243104 /nfs/dbraw/zinc/24/31/04/927243104.db2.gz DFFWTNWZSSPCMU-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001424544869 927243466 /nfs/dbraw/zinc/24/34/66/927243466.db2.gz AQTAUDKGLHXDKT-GFCCVEGCSA-N 2 1 312.414 -1.243 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425388559 927343436 /nfs/dbraw/zinc/34/34/36/927343436.db2.gz CWDJCDDYDUHNIO-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001425445214 927364182 /nfs/dbraw/zinc/36/41/82/927364182.db2.gz MIOMFPQYEGCTHH-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001425461572 927367053 /nfs/dbraw/zinc/36/70/53/927367053.db2.gz PCCVYFQCFGOETF-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001425496363 927382654 /nfs/dbraw/zinc/38/26/54/927382654.db2.gz RYQBTGZZKCNGBD-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001425751608 927425182 /nfs/dbraw/zinc/42/51/82/927425182.db2.gz GBPBGRSGAFXURI-IJLUTSLNSA-N 2 1 300.403 -1.519 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001425766527 927434528 /nfs/dbraw/zinc/43/45/28/927434528.db2.gz QQVLHLAILAVTQK-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001425766524 927435313 /nfs/dbraw/zinc/43/53/13/927435313.db2.gz QQVLHLAILAVTQK-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425775841 927440411 /nfs/dbraw/zinc/44/04/11/927440411.db2.gz NKIAPSXNHRZJDU-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001425775956 927440544 /nfs/dbraw/zinc/44/05/44/927440544.db2.gz CQLSCRSSIWRRJS-RYUDHWBXSA-N 2 1 311.386 -1.265 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796851 927450865 /nfs/dbraw/zinc/45/08/65/927450865.db2.gz DMKIVLCWOBMKKU-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796851 927450874 /nfs/dbraw/zinc/45/08/74/927450874.db2.gz DMKIVLCWOBMKKU-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425826875 927466271 /nfs/dbraw/zinc/46/62/71/927466271.db2.gz CRQCWTLOQHCVNK-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425835527 927470378 /nfs/dbraw/zinc/47/03/78/927470378.db2.gz NOJHMYJCNJXHED-GFCCVEGCSA-N 2 1 322.413 -1.040 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001425841470 927472811 /nfs/dbraw/zinc/47/28/11/927472811.db2.gz OQWUQJRZEDRVDE-JSGCOSHPSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001425841467 927474358 /nfs/dbraw/zinc/47/43/58/927474358.db2.gz OQWUQJRZEDRVDE-GXTWGEPZSA-N 2 1 314.430 -1.081 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001425978307 927493868 /nfs/dbraw/zinc/49/38/68/927493868.db2.gz CZCIXZPFDFITGY-NWDGAFQWSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425978307 927493878 /nfs/dbraw/zinc/49/38/78/927493878.db2.gz CZCIXZPFDFITGY-NWDGAFQWSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001425978304 927494341 /nfs/dbraw/zinc/49/43/41/927494341.db2.gz CZCIXZPFDFITGY-NEPJUHHUSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425978304 927494351 /nfs/dbraw/zinc/49/43/51/927494351.db2.gz CZCIXZPFDFITGY-NEPJUHHUSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087609 927527234 /nfs/dbraw/zinc/52/72/34/927527234.db2.gz UZXMLGOBANQHTK-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001427835186 927686148 /nfs/dbraw/zinc/68/61/48/927686148.db2.gz YOGFRPGSMDMIBV-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001428261146 927768754 /nfs/dbraw/zinc/76/87/54/927768754.db2.gz PXBVTLSTPXVVKF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001428800070 927811199 /nfs/dbraw/zinc/81/11/99/927811199.db2.gz OGSSVBUWRCJYCZ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001430175097 927920263 /nfs/dbraw/zinc/92/02/63/927920263.db2.gz ZAIIQJOHIOKEJG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001430175097 927920272 /nfs/dbraw/zinc/92/02/72/927920272.db2.gz ZAIIQJOHIOKEJG-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001431536986 928053995 /nfs/dbraw/zinc/05/39/95/928053995.db2.gz DHLKVKVFVVUCFR-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431536986 928054011 /nfs/dbraw/zinc/05/40/11/928054011.db2.gz DHLKVKVFVVUCFR-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431536986 928054024 /nfs/dbraw/zinc/05/40/24/928054024.db2.gz DHLKVKVFVVUCFR-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001432022284 928098292 /nfs/dbraw/zinc/09/82/92/928098292.db2.gz UOVRATZLDLTRIY-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001432022284 928098304 /nfs/dbraw/zinc/09/83/04/928098304.db2.gz UOVRATZLDLTRIY-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001432022280 928099487 /nfs/dbraw/zinc/09/94/87/928099487.db2.gz UOVRATZLDLTRIY-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001432022280 928099499 /nfs/dbraw/zinc/09/94/99/928099499.db2.gz UOVRATZLDLTRIY-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CC1(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001432336684 928135457 /nfs/dbraw/zinc/13/54/57/928135457.db2.gz ZQNQACGNUBFRAX-ZDUSSCGKSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CC1(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001432336684 928135465 /nfs/dbraw/zinc/13/54/65/928135465.db2.gz ZQNQACGNUBFRAX-ZDUSSCGKSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001433258978 928199176 /nfs/dbraw/zinc/19/91/76/928199176.db2.gz FJWVETPYORDEDV-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436383691 928396371 /nfs/dbraw/zinc/39/63/71/928396371.db2.gz RIJVKQIIHCUSAH-XDQVBPFNSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436383691 928396383 /nfs/dbraw/zinc/39/63/83/928396383.db2.gz RIJVKQIIHCUSAH-XDQVBPFNSA-N 2 1 315.414 -1.191 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437082974 928423793 /nfs/dbraw/zinc/42/37/93/928423793.db2.gz REFKGUUMXNPJHV-JCIQBVFBSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437082974 928423798 /nfs/dbraw/zinc/42/37/98/928423798.db2.gz REFKGUUMXNPJHV-JCIQBVFBSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437082974 928423803 /nfs/dbraw/zinc/42/38/03/928423803.db2.gz REFKGUUMXNPJHV-JCIQBVFBSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437082974 928423808 /nfs/dbraw/zinc/42/38/08/928423808.db2.gz REFKGUUMXNPJHV-JCIQBVFBSA-N 2 1 323.397 -1.432 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001437259135 928439975 /nfs/dbraw/zinc/43/99/75/928439975.db2.gz FBGWULHVQVWQCH-SNVBAGLBSA-N 2 1 301.391 -1.124 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259867 928440297 /nfs/dbraw/zinc/44/02/97/928440297.db2.gz LEBANYUIJRDXIN-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259867 928440307 /nfs/dbraw/zinc/44/03/07/928440307.db2.gz LEBANYUIJRDXIN-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001437264643 928440900 /nfs/dbraw/zinc/44/09/00/928440900.db2.gz WZMNAWBJCMYQIS-RKDXNWHRSA-N 2 1 310.358 -1.131 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649436 928467723 /nfs/dbraw/zinc/46/77/23/928467723.db2.gz ZWJTUNHPHSXTLA-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649436 928467727 /nfs/dbraw/zinc/46/77/27/928467727.db2.gz ZWJTUNHPHSXTLA-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649436 928467730 /nfs/dbraw/zinc/46/77/30/928467730.db2.gz ZWJTUNHPHSXTLA-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649436 928467738 /nfs/dbraw/zinc/46/77/38/928467738.db2.gz ZWJTUNHPHSXTLA-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437745772 928475496 /nfs/dbraw/zinc/47/54/96/928475496.db2.gz UXSSEPAIIFQAPC-CHWSQXEVSA-N 2 1 312.414 -1.122 20 0 DAADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001437722326 928476383 /nfs/dbraw/zinc/47/63/83/928476383.db2.gz BBDRTYXTCRCHNO-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001438982246 928556759 /nfs/dbraw/zinc/55/67/59/928556759.db2.gz KLUBKPBVOCTGDS-RYUDHWBXSA-N 2 1 300.403 -1.328 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001438989957 928562216 /nfs/dbraw/zinc/56/22/16/928562216.db2.gz JLXZBIOOBFYAEA-OUAUKWLOSA-N 2 1 311.390 -1.883 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001438989957 928562220 /nfs/dbraw/zinc/56/22/20/928562220.db2.gz JLXZBIOOBFYAEA-OUAUKWLOSA-N 2 1 311.390 -1.883 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978691 928654486 /nfs/dbraw/zinc/65/44/86/928654486.db2.gz LZKWCMCCCHTBEV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978691 928654491 /nfs/dbraw/zinc/65/44/91/928654491.db2.gz LZKWCMCCCHTBEV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001439978691 928654498 /nfs/dbraw/zinc/65/44/98/928654498.db2.gz LZKWCMCCCHTBEV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978691 928654505 /nfs/dbraw/zinc/65/45/05/928654505.db2.gz LZKWCMCCCHTBEV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978695 928655007 /nfs/dbraw/zinc/65/50/07/928655007.db2.gz LZKWCMCCCHTBEV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978695 928655015 /nfs/dbraw/zinc/65/50/15/928655015.db2.gz LZKWCMCCCHTBEV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001439978695 928655021 /nfs/dbraw/zinc/65/50/21/928655021.db2.gz LZKWCMCCCHTBEV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978695 928655026 /nfs/dbraw/zinc/65/50/26/928655026.db2.gz LZKWCMCCCHTBEV-JSGCOSHPSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439986027 928656530 /nfs/dbraw/zinc/65/65/30/928656530.db2.gz DBVISJRXTYVGIJ-FZMZJTMJSA-N 2 1 318.393 -1.295 20 0 DAADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439986027 928656533 /nfs/dbraw/zinc/65/65/33/928656533.db2.gz DBVISJRXTYVGIJ-FZMZJTMJSA-N 2 1 318.393 -1.295 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439984585 928658163 /nfs/dbraw/zinc/65/81/63/928658163.db2.gz AHNZQRZMNFPLNO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439984585 928658171 /nfs/dbraw/zinc/65/81/71/928658171.db2.gz AHNZQRZMNFPLNO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439984585 928658186 /nfs/dbraw/zinc/65/81/86/928658186.db2.gz AHNZQRZMNFPLNO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439984585 928658196 /nfs/dbraw/zinc/65/81/96/928658196.db2.gz AHNZQRZMNFPLNO-OAHLLOKOSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017917 928668536 /nfs/dbraw/zinc/66/85/36/928668536.db2.gz CIFYCFMUFXLSGY-BLLLJJGKSA-N 2 1 322.409 -1.476 20 0 DAADMP O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017917 928668546 /nfs/dbraw/zinc/66/85/46/928668546.db2.gz CIFYCFMUFXLSGY-BLLLJJGKSA-N 2 1 322.409 -1.476 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001440022320 928668767 /nfs/dbraw/zinc/66/87/67/928668767.db2.gz KBRIERUYZIVCEN-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001440022320 928668773 /nfs/dbraw/zinc/66/87/73/928668773.db2.gz KBRIERUYZIVCEN-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440022320 928668777 /nfs/dbraw/zinc/66/87/77/928668777.db2.gz KBRIERUYZIVCEN-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440022320 928668783 /nfs/dbraw/zinc/66/87/83/928668783.db2.gz KBRIERUYZIVCEN-IUODEOHRSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001440368948 928717488 /nfs/dbraw/zinc/71/74/88/928717488.db2.gz IOQLGZMUVYCPME-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001440669869 928737953 /nfs/dbraw/zinc/73/79/53/928737953.db2.gz FRDJLHOJZQDYKO-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001440839423 928744794 /nfs/dbraw/zinc/74/47/94/928744794.db2.gz MBLOWTGXHICUHD-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001440839434 928746416 /nfs/dbraw/zinc/74/64/16/928746416.db2.gz MBLOWTGXHICUHD-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001441384841 928786389 /nfs/dbraw/zinc/78/63/89/928786389.db2.gz GXOUGUFTALFSTP-AVGNSLFASA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001441384841 928786404 /nfs/dbraw/zinc/78/64/04/928786404.db2.gz GXOUGUFTALFSTP-AVGNSLFASA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001441441967 928789749 /nfs/dbraw/zinc/78/97/49/928789749.db2.gz SMFQVLQMXYKJMH-NAKRPEOUSA-N 2 1 311.386 -1.242 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441440846 928789968 /nfs/dbraw/zinc/78/99/68/928789968.db2.gz MJOYKZURXXDYHJ-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441440846 928789984 /nfs/dbraw/zinc/78/99/84/928789984.db2.gz MJOYKZURXXDYHJ-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441440844 928790391 /nfs/dbraw/zinc/79/03/91/928790391.db2.gz MJOYKZURXXDYHJ-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441440844 928790398 /nfs/dbraw/zinc/79/03/98/928790398.db2.gz MJOYKZURXXDYHJ-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701568 928823456 /nfs/dbraw/zinc/82/34/56/928823456.db2.gz TYEKYOKXVOVDLX-OLZOCXBDSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701568 928823468 /nfs/dbraw/zinc/82/34/68/928823468.db2.gz TYEKYOKXVOVDLX-OLZOCXBDSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701563 928824198 /nfs/dbraw/zinc/82/41/98/928824198.db2.gz TYEKYOKXVOVDLX-CHWSQXEVSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701563 928824211 /nfs/dbraw/zinc/82/42/11/928824211.db2.gz TYEKYOKXVOVDLX-CHWSQXEVSA-N 2 1 311.386 -1.720 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001441740616 928848376 /nfs/dbraw/zinc/84/83/76/928848376.db2.gz KPDIPDWKTAAUTQ-LLVKDONJSA-N 2 1 310.402 -1.276 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441743554 928848479 /nfs/dbraw/zinc/84/84/79/928848479.db2.gz SLYCCURNUIJMHE-RWMBFGLXSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001441795141 928866147 /nfs/dbraw/zinc/86/61/47/928866147.db2.gz OBOGEWYVDFBLDN-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441800061 928869137 /nfs/dbraw/zinc/86/91/37/928869137.db2.gz ROCGOEUJSGNOFQ-VHSXEESVSA-N 2 1 315.374 -2.540 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441959225 928887957 /nfs/dbraw/zinc/88/79/57/928887957.db2.gz MEOCHOYKNPAFNW-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441959225 928887967 /nfs/dbraw/zinc/88/79/67/928887967.db2.gz MEOCHOYKNPAFNW-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441959217 928889319 /nfs/dbraw/zinc/88/93/19/928889319.db2.gz MEOCHOYKNPAFNW-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441959217 928889326 /nfs/dbraw/zinc/88/93/26/928889326.db2.gz MEOCHOYKNPAFNW-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001441997441 928903348 /nfs/dbraw/zinc/90/33/48/928903348.db2.gz KBTIKILASBGMCX-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001442001102 928905548 /nfs/dbraw/zinc/90/55/48/928905548.db2.gz WVMXJUYMTUEVCA-SRVKXCTJSA-N 2 1 300.403 -1.389 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001442001098 928906309 /nfs/dbraw/zinc/90/63/09/928906309.db2.gz WVMXJUYMTUEVCA-SDDRHHMPSA-N 2 1 300.403 -1.389 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442025895 928908383 /nfs/dbraw/zinc/90/83/83/928908383.db2.gz AZCTYZOVAULXQW-WCQYABFASA-N 2 1 312.414 -1.374 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001442026542 928910217 /nfs/dbraw/zinc/91/02/17/928910217.db2.gz UYBPDQYODFTNQF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001442027200 928911288 /nfs/dbraw/zinc/91/12/88/928911288.db2.gz CWJOYRHCECORLA-RYUDHWBXSA-N 2 1 309.370 -1.511 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001442026536 928911436 /nfs/dbraw/zinc/91/14/36/928911436.db2.gz UYBPDQYODFTNQF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001442095401 928925881 /nfs/dbraw/zinc/92/58/81/928925881.db2.gz OSGYZBOIFAUXQW-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001442095401 928925891 /nfs/dbraw/zinc/92/58/91/928925891.db2.gz OSGYZBOIFAUXQW-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001442095401 928925898 /nfs/dbraw/zinc/92/58/98/928925898.db2.gz OSGYZBOIFAUXQW-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134923 928929896 /nfs/dbraw/zinc/92/98/96/928929896.db2.gz IBEVSUUCLLMRQU-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134923 928929903 /nfs/dbraw/zinc/92/99/03/928929903.db2.gz IBEVSUUCLLMRQU-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442101032 928931233 /nfs/dbraw/zinc/93/12/33/928931233.db2.gz ZVBDKWPSUINDAA-GFCCVEGCSA-N 2 1 300.403 -1.421 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442101032 928931241 /nfs/dbraw/zinc/93/12/41/928931241.db2.gz ZVBDKWPSUINDAA-GFCCVEGCSA-N 2 1 300.403 -1.421 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442407880 928943260 /nfs/dbraw/zinc/94/32/60/928943260.db2.gz DEWDPESSOFSTEI-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001442407880 928943276 /nfs/dbraw/zinc/94/32/76/928943276.db2.gz DEWDPESSOFSTEI-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP Cn1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)nc1=O ZINC001442883463 928974185 /nfs/dbraw/zinc/97/41/85/928974185.db2.gz SCBJAZAKZLJWOP-LLVKDONJSA-N 2 1 310.402 -1.002 20 0 DAADMP Cn1[nH]c(C[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)nc1=O ZINC001442883463 928974195 /nfs/dbraw/zinc/97/41/95/928974195.db2.gz SCBJAZAKZLJWOP-LLVKDONJSA-N 2 1 310.402 -1.002 20 0 DAADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001444391547 929120436 /nfs/dbraw/zinc/12/04/36/929120436.db2.gz QYQVKIIJMKSKEV-MNOVXSKESA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444727615 929150599 /nfs/dbraw/zinc/15/05/99/929150599.db2.gz NPGHQYCGSDTFEW-GHMZBOCLSA-N 2 1 310.402 -1.003 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151596 929169112 /nfs/dbraw/zinc/16/91/12/929169112.db2.gz FPIAGQDNMMCSJL-KGLIPLIRSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151596 929169119 /nfs/dbraw/zinc/16/91/19/929169119.db2.gz FPIAGQDNMMCSJL-KGLIPLIRSA-N 2 1 315.414 -1.190 20 0 DAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001445216629 929188676 /nfs/dbraw/zinc/18/86/76/929188676.db2.gz VEZBZUTYGHOJMP-CHWSQXEVSA-N 2 1 310.402 -1.134 20 0 DAADMP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001445270135 929205867 /nfs/dbraw/zinc/20/58/67/929205867.db2.gz LUBAIWUXNNANCE-WCQYABFASA-N 2 1 312.414 -1.374 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001445264895 929207333 /nfs/dbraw/zinc/20/73/33/929207333.db2.gz GHQVEZGHDLIYMK-VXGBXAGGSA-N 2 1 314.430 -1.081 20 0 DAADMP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001445270134 929207827 /nfs/dbraw/zinc/20/78/27/929207827.db2.gz LUBAIWUXNNANCE-DGCLKSJQSA-N 2 1 312.414 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001445272325 929210412 /nfs/dbraw/zinc/21/04/12/929210412.db2.gz OVFHOMNUDICROL-VXGBXAGGSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445278018 929211124 /nfs/dbraw/zinc/21/11/24/929211124.db2.gz WZQIIKYRVKHIKW-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001446508844 929296609 /nfs/dbraw/zinc/29/66/09/929296609.db2.gz AJOOZMHFXFYEMF-ZDUSSCGKSA-N 2 1 311.430 -1.358 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446508844 929296617 /nfs/dbraw/zinc/29/66/17/929296617.db2.gz AJOOZMHFXFYEMF-ZDUSSCGKSA-N 2 1 311.430 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001446714328 929305984 /nfs/dbraw/zinc/30/59/84/929305984.db2.gz BBPFFCGWKNEZNY-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001446714328 929305990 /nfs/dbraw/zinc/30/59/90/929305990.db2.gz BBPFFCGWKNEZNY-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001446761208 929313791 /nfs/dbraw/zinc/31/37/91/929313791.db2.gz QANDABNOUZQMRF-AWEZNQCLSA-N 2 1 310.398 -1.347 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001446761208 929313805 /nfs/dbraw/zinc/31/38/05/929313805.db2.gz QANDABNOUZQMRF-AWEZNQCLSA-N 2 1 310.398 -1.347 20 0 DAADMP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769182 929315400 /nfs/dbraw/zinc/31/54/00/929315400.db2.gz ZUNBBPIFYBCXFA-CZUORRHYSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769182 929315409 /nfs/dbraw/zinc/31/54/09/929315409.db2.gz ZUNBBPIFYBCXFA-CZUORRHYSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769182 929315420 /nfs/dbraw/zinc/31/54/20/929315420.db2.gz ZUNBBPIFYBCXFA-CZUORRHYSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769182 929315431 /nfs/dbraw/zinc/31/54/31/929315431.db2.gz ZUNBBPIFYBCXFA-CZUORRHYSA-N 2 1 324.425 -1.088 20 0 DAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001446766628 929316381 /nfs/dbraw/zinc/31/63/81/929316381.db2.gz WYOLADNTPZJCPR-GUTXKFCHSA-N 2 1 317.430 -1.113 20 0 DAADMP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769180 929317118 /nfs/dbraw/zinc/31/71/18/929317118.db2.gz ZUNBBPIFYBCXFA-BBRMVZONSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769180 929317129 /nfs/dbraw/zinc/31/71/29/929317129.db2.gz ZUNBBPIFYBCXFA-BBRMVZONSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769180 929317140 /nfs/dbraw/zinc/31/71/40/929317140.db2.gz ZUNBBPIFYBCXFA-BBRMVZONSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769180 929317153 /nfs/dbraw/zinc/31/71/53/929317153.db2.gz ZUNBBPIFYBCXFA-BBRMVZONSA-N 2 1 324.425 -1.088 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1)[NH+](C)C ZINC001446766630 929317377 /nfs/dbraw/zinc/31/73/77/929317377.db2.gz WYOLADNTPZJCPR-GZBFAFLISA-N 2 1 317.430 -1.113 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001446784026 929325022 /nfs/dbraw/zinc/32/50/22/929325022.db2.gz QFTHVCACDFVUJX-HNNXBMFYSA-N 2 1 315.414 -1.356 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001446784026 929325037 /nfs/dbraw/zinc/32/50/37/929325037.db2.gz QFTHVCACDFVUJX-HNNXBMFYSA-N 2 1 315.414 -1.356 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001447046814 929365867 /nfs/dbraw/zinc/36/58/67/929365867.db2.gz BATMNBYHOLAIPR-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327849 929386367 /nfs/dbraw/zinc/38/63/67/929386367.db2.gz XTTISPCLUPHMBD-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447327849 929386378 /nfs/dbraw/zinc/38/63/78/929386378.db2.gz XTTISPCLUPHMBD-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447327849 929386390 /nfs/dbraw/zinc/38/63/90/929386390.db2.gz XTTISPCLUPHMBD-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447327849 929386401 /nfs/dbraw/zinc/38/64/01/929386401.db2.gz XTTISPCLUPHMBD-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001447597633 929402333 /nfs/dbraw/zinc/40/23/33/929402333.db2.gz KBYCKUURODDKQB-UHFFFAOYSA-N 2 1 309.370 -1.380 20 0 DAADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001447789011 929413722 /nfs/dbraw/zinc/41/37/22/929413722.db2.gz WBPLEQHLICNAHE-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001447789011 929413727 /nfs/dbraw/zinc/41/37/27/929413727.db2.gz WBPLEQHLICNAHE-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCNS(C)(=O)=O ZINC001448145887 929432327 /nfs/dbraw/zinc/43/23/27/929432327.db2.gz ICMTVWRRMRGTGT-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145887 929432331 /nfs/dbraw/zinc/43/23/31/929432331.db2.gz ICMTVWRRMRGTGT-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145887 929432335 /nfs/dbraw/zinc/43/23/35/929432335.db2.gz ICMTVWRRMRGTGT-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCNS(C)(=O)=O ZINC001448145887 929432339 /nfs/dbraw/zinc/43/23/39/929432339.db2.gz ICMTVWRRMRGTGT-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448145887 929432341 /nfs/dbraw/zinc/43/23/41/929432341.db2.gz ICMTVWRRMRGTGT-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCNS(C)(=O)=O ZINC001448145888 929433835 /nfs/dbraw/zinc/43/38/35/929433835.db2.gz ICMTVWRRMRGTGT-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145888 929433847 /nfs/dbraw/zinc/43/38/47/929433847.db2.gz ICMTVWRRMRGTGT-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145888 929433852 /nfs/dbraw/zinc/43/38/52/929433852.db2.gz ICMTVWRRMRGTGT-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCNS(C)(=O)=O ZINC001448145888 929433859 /nfs/dbraw/zinc/43/38/59/929433859.db2.gz ICMTVWRRMRGTGT-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448145888 929433867 /nfs/dbraw/zinc/43/38/67/929433867.db2.gz ICMTVWRRMRGTGT-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001448727320 929467202 /nfs/dbraw/zinc/46/72/02/929467202.db2.gz OIYZAQYTDKFHBR-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448893945 929509651 /nfs/dbraw/zinc/50/96/51/929509651.db2.gz WAQKEXHGICZNPE-GFCCVEGCSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448893949 929509676 /nfs/dbraw/zinc/50/96/76/929509676.db2.gz WAQKEXHGICZNPE-LBPRGKRZSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915305 929512865 /nfs/dbraw/zinc/51/28/65/929512865.db2.gz YRMUSBVHMSVMDL-UWVGGRQHSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915305 929512877 /nfs/dbraw/zinc/51/28/77/929512877.db2.gz YRMUSBVHMSVMDL-UWVGGRQHSA-N 2 1 315.374 -2.410 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001448951573 929525770 /nfs/dbraw/zinc/52/57/70/929525770.db2.gz JTFHFVXWJCGZML-PWSUYJOCSA-N 2 1 311.386 -1.265 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448953159 929526237 /nfs/dbraw/zinc/52/62/37/929526237.db2.gz VFSDOTAGKHEXCW-VHSXEESVSA-N 2 1 317.390 -2.023 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001448957428 929528078 /nfs/dbraw/zinc/52/80/78/929528078.db2.gz RXDHMHNVAHARIR-GFCCVEGCSA-N 2 1 307.358 -1.450 20 0 DAADMP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001449149739 929552953 /nfs/dbraw/zinc/55/29/53/929552953.db2.gz POEDKYPSTWKWCO-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001449155418 929556999 /nfs/dbraw/zinc/55/69/99/929556999.db2.gz DUFJZMZUJQZFGP-LBPRGKRZSA-N 2 1 322.413 -1.180 20 0 DAADMP CN(C[C@@H](O)CNCc1cnnn1C)C(=O)Cc1ncc[nH]1 ZINC001449167171 929558345 /nfs/dbraw/zinc/55/83/45/929558345.db2.gz SJFXXIMTOITQTC-NSHDSACASA-N 2 1 307.358 -1.310 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO)C1 ZINC001449238347 929571345 /nfs/dbraw/zinc/57/13/45/929571345.db2.gz WVEQAFIOSUSGAT-UONOGXRCSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO)C1 ZINC001449238347 929571350 /nfs/dbraw/zinc/57/13/50/929571350.db2.gz WVEQAFIOSUSGAT-UONOGXRCSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)C1 ZINC001449238347 929571356 /nfs/dbraw/zinc/57/13/56/929571356.db2.gz WVEQAFIOSUSGAT-UONOGXRCSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238347 929571364 /nfs/dbraw/zinc/57/13/64/929571364.db2.gz WVEQAFIOSUSGAT-UONOGXRCSA-N 2 1 317.430 -1.159 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449250286 929576623 /nfs/dbraw/zinc/57/66/23/929576623.db2.gz WMHVMPHJEVCRGL-KGLIPLIRSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449250286 929576631 /nfs/dbraw/zinc/57/66/31/929576631.db2.gz WMHVMPHJEVCRGL-KGLIPLIRSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449250286 929576641 /nfs/dbraw/zinc/57/66/41/929576641.db2.gz WMHVMPHJEVCRGL-KGLIPLIRSA-N 2 1 324.429 -1.019 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001450315407 929620582 /nfs/dbraw/zinc/62/05/82/929620582.db2.gz ZXHKPBRVLPRBIA-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001522419572 929667300 /nfs/dbraw/zinc/66/73/00/929667300.db2.gz YTQSADZXHRXYRO-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+](CC)CC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522570602 929682832 /nfs/dbraw/zinc/68/28/32/929682832.db2.gz YWSHQVCWOXFZQI-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+](CC)CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522570602 929682835 /nfs/dbraw/zinc/68/28/35/929682835.db2.gz YWSHQVCWOXFZQI-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528175910 929797158 /nfs/dbraw/zinc/79/71/58/929797158.db2.gz AWYGHALSNDRJNP-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528175910 929797179 /nfs/dbraw/zinc/79/71/79/929797179.db2.gz AWYGHALSNDRJNP-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548556965 930031222 /nfs/dbraw/zinc/03/12/22/930031222.db2.gz HVUHNKAQKAZALR-CZUORRHYSA-N 2 1 324.425 -1.086 20 0 DAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548557005 930031600 /nfs/dbraw/zinc/03/16/00/930031600.db2.gz IVDPTAVMVXJSKV-AVGNSLFASA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646954 930033414 /nfs/dbraw/zinc/03/34/14/930033414.db2.gz LNCFASCZRZICQI-KBPBESRZSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646954 930033422 /nfs/dbraw/zinc/03/34/22/930033422.db2.gz LNCFASCZRZICQI-KBPBESRZSA-N 2 1 323.441 -1.345 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625639 930034738 /nfs/dbraw/zinc/03/47/38/930034738.db2.gz VSGQIWHKYXYAQE-GXTWGEPZSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625639 930034750 /nfs/dbraw/zinc/03/47/50/930034750.db2.gz VSGQIWHKYXYAQE-GXTWGEPZSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548625643 930035524 /nfs/dbraw/zinc/03/55/24/930035524.db2.gz VSGQIWHKYXYAQE-OCCSQVGLSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548625643 930035526 /nfs/dbraw/zinc/03/55/26/930035526.db2.gz VSGQIWHKYXYAQE-OCCSQVGLSA-N 2 1 323.441 -1.299 20 0 DAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001549044659 930047431 /nfs/dbraw/zinc/04/74/31/930047431.db2.gz GWOKROTWWYCAGT-RYUDHWBXSA-N 2 1 320.397 -1.239 20 0 DAADMP CNC(=O)[C@@]12C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2 ZINC001551411996 930066833 /nfs/dbraw/zinc/06/68/33/930066833.db2.gz UUZPEMRMRNMRLO-CJNGLKHVSA-N 2 1 324.425 -1.107 20 0 DAADMP CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2 ZINC001551410450 930067464 /nfs/dbraw/zinc/06/74/64/930067464.db2.gz QFDNNLBDFOADCZ-WFASDCNBSA-N 2 1 310.398 -1.497 20 0 DAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203182 930070657 /nfs/dbraw/zinc/07/06/57/930070657.db2.gz WKZXSOXKAGJUBN-WOSRLPQWSA-N 2 1 322.409 -1.355 20 0 DAADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553349157 930074023 /nfs/dbraw/zinc/07/40/23/930074023.db2.gz CXCSUQDKTCXDQU-SWLSCSKDSA-N 3 1 309.414 -1.924 20 0 DAADMP CN1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553349157 930074031 /nfs/dbraw/zinc/07/40/31/930074031.db2.gz CXCSUQDKTCXDQU-SWLSCSKDSA-N 2 1 309.414 -1.924 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)CC1 ZINC001553387627 930074383 /nfs/dbraw/zinc/07/43/83/930074383.db2.gz RNIHUASPFSMFKT-BBRMVZONSA-N 2 1 324.425 -1.155 20 0 DAADMP COCC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)CC1 ZINC001553387627 930074392 /nfs/dbraw/zinc/07/43/92/930074392.db2.gz RNIHUASPFSMFKT-BBRMVZONSA-N 2 1 324.425 -1.155 20 0 DAADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553349156 930075241 /nfs/dbraw/zinc/07/52/41/930075241.db2.gz CXCSUQDKTCXDQU-IUODEOHRSA-N 3 1 309.414 -1.924 20 0 DAADMP CN1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553349156 930075250 /nfs/dbraw/zinc/07/52/50/930075250.db2.gz CXCSUQDKTCXDQU-IUODEOHRSA-N 2 1 309.414 -1.924 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412562 930076551 /nfs/dbraw/zinc/07/65/51/930076551.db2.gz VEMGDQVLXMBGQU-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553399031 930077243 /nfs/dbraw/zinc/07/72/43/930077243.db2.gz YGYBGPOVMLWZJW-CZUORRHYSA-N 2 1 324.425 -1.155 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553399031 930077258 /nfs/dbraw/zinc/07/72/58/930077258.db2.gz YGYBGPOVMLWZJW-CZUORRHYSA-N 2 1 324.425 -1.155 20 0 DAADMP N[C@@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001553528097 930077331 /nfs/dbraw/zinc/07/73/31/930077331.db2.gz MKXCMGBXLZAHOP-LXTVHRRPSA-N 3 1 322.457 -1.023 20 0 DAADMP N[C@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001553528115 930077516 /nfs/dbraw/zinc/07/75/16/930077516.db2.gz MKXCMGBXLZAHOP-XGUBFFRZSA-N 3 1 322.457 -1.023 20 0 DAADMP C[C@H](C(=O)NC(=O)NC1CC1)N(C)CC(=O)N1CCNCC1 ZINC000430617440 545697631 /nfs/dbraw/zinc/69/76/31/545697631.db2.gz MQOBKWZFYYJTLU-SNVBAGLBSA-N 2 1 311.386 -1.273 20 0 DAADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347174795 545715367 /nfs/dbraw/zinc/71/53/67/545715367.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 1 301.435 -1.154 20 0 DAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000419222998 545765430 /nfs/dbraw/zinc/76/54/30/545765430.db2.gz LRQYDVHMTIFZLG-STQMWFEESA-N 2 1 310.398 -1.454 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1CCCC1 ZINC000419692098 545767631 /nfs/dbraw/zinc/76/76/31/545767631.db2.gz FUTVLHIFCKRHCA-UHFFFAOYSA-N 2 1 300.403 -1.243 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419668389 545767858 /nfs/dbraw/zinc/76/78/58/545767858.db2.gz ACIHXUXFPAUAJN-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419538981 545768676 /nfs/dbraw/zinc/76/86/76/545768676.db2.gz PCPGCWMQFYQGPV-JTQLQIEISA-N 2 1 322.356 -1.076 20 0 DAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419538981 545768683 /nfs/dbraw/zinc/76/86/83/545768683.db2.gz PCPGCWMQFYQGPV-JTQLQIEISA-N 2 1 322.356 -1.076 20 0 DAADMP O=C([C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424030881 545774084 /nfs/dbraw/zinc/77/40/84/545774084.db2.gz SAVWHGIGISSZTP-LLVKDONJSA-N 2 1 316.427 -1.568 20 0 DAADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424036687 545774718 /nfs/dbraw/zinc/77/47/18/545774718.db2.gz FIPDYOFJRPUUJA-VHSXEESVSA-N 2 1 304.416 -1.585 20 0 DAADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424047200 545776637 /nfs/dbraw/zinc/77/66/37/545776637.db2.gz WVVZOSQXYXNEMG-GHMZBOCLSA-N 2 1 316.427 -1.440 20 0 DAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718572 372787856 /nfs/dbraw/zinc/78/78/56/372787856.db2.gz ZWKRJOBCNVPWIS-RYDUCSDGSA-N 2 1 310.398 -1.624 20 0 DAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643594093 372771382 /nfs/dbraw/zinc/77/13/82/372771382.db2.gz DNCHOCOORONOMK-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643594093 372771385 /nfs/dbraw/zinc/77/13/85/372771385.db2.gz DNCHOCOORONOMK-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718573 372786225 /nfs/dbraw/zinc/78/62/25/372786225.db2.gz ZWKRJOBCNVPWIS-XEZLXBQYSA-N 2 1 310.398 -1.624 20 0 DAADMP COCC[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC000632254867 372838053 /nfs/dbraw/zinc/83/80/53/372838053.db2.gz BAONJNMLPPAICM-QWHCGFSZSA-N 2 1 321.443 -1.043 20 0 DAADMP COCCN1CC[C@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC000632254867 372838061 /nfs/dbraw/zinc/83/80/61/372838061.db2.gz BAONJNMLPPAICM-QWHCGFSZSA-N 2 1 321.443 -1.043 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918602 372864382 /nfs/dbraw/zinc/86/43/82/372864382.db2.gz ZSESODGVPYGAQZ-UHFFFAOYSA-N 2 1 312.414 -1.230 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561256498 372870101 /nfs/dbraw/zinc/87/01/01/372870101.db2.gz ZUJUATBHGKOEEM-LBPRGKRZSA-N 2 1 315.418 -2.218 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000569624906 372872386 /nfs/dbraw/zinc/87/23/86/372872386.db2.gz AEBNBQPLBGUXSC-NWDGAFQWSA-N 2 1 323.397 -2.033 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000642908256 372859731 /nfs/dbraw/zinc/85/97/31/372859731.db2.gz MMOOBGIPOAXTQG-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000642908256 372859737 /nfs/dbraw/zinc/85/97/37/372859737.db2.gz MMOOBGIPOAXTQG-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000580096237 372924081 /nfs/dbraw/zinc/92/40/81/372924081.db2.gz YLAQUOKWUULCSX-MNOVXSKESA-N 2 1 323.397 -1.049 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000580096237 372924084 /nfs/dbraw/zinc/92/40/84/372924084.db2.gz YLAQUOKWUULCSX-MNOVXSKESA-N 2 1 323.397 -1.049 20 0 DAADMP COC(=O)CCN1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000595894960 373003316 /nfs/dbraw/zinc/00/33/16/373003316.db2.gz ZHSHUDBMZGSPFY-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)CCN1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000595894959 373004381 /nfs/dbraw/zinc/00/43/81/373004381.db2.gz ZHSHUDBMZGSPFY-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000602503419 373063725 /nfs/dbraw/zinc/06/37/25/373063725.db2.gz IXTXWZOWOWCXCO-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313863557 373110643 /nfs/dbraw/zinc/11/06/43/373110643.db2.gz JZIBVTPMYNVSEG-OLZOCXBDSA-N 2 1 323.459 -1.109 20 0 DAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@H](O)C[NH3+])c(=O)n2C ZINC000563216340 373114578 /nfs/dbraw/zinc/11/45/78/373114578.db2.gz YXTZEWNEDRENSW-SNVBAGLBSA-N 2 1 324.385 -1.925 20 0 DAADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000571524199 373155389 /nfs/dbraw/zinc/15/53/89/373155389.db2.gz SKBCHYUABUJSIK-JTQLQIEISA-N 2 1 323.397 -1.090 20 0 DAADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000571524199 373155396 /nfs/dbraw/zinc/15/53/96/373155396.db2.gz SKBCHYUABUJSIK-JTQLQIEISA-N 2 1 323.397 -1.090 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000571643155 373163454 /nfs/dbraw/zinc/16/34/54/373163454.db2.gz VENQFRFRSGUHQH-SNVBAGLBSA-N 2 1 300.359 -1.843 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000571643155 373163461 /nfs/dbraw/zinc/16/34/61/373163461.db2.gz VENQFRFRSGUHQH-SNVBAGLBSA-N 2 1 300.359 -1.843 20 0 DAADMP COCCN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000563623071 373140045 /nfs/dbraw/zinc/14/00/45/373140045.db2.gz NODWLINVVXDLHQ-UHFFFAOYSA-N 2 1 312.414 -1.011 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000263260512 373144848 /nfs/dbraw/zinc/14/48/48/373144848.db2.gz SIPMLFTVYXEXHV-DYEKYZERSA-N 2 1 314.430 -1.001 20 0 DAADMP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638173830 373210585 /nfs/dbraw/zinc/21/05/85/373210585.db2.gz KZKHRMZHVADNRC-CYBMUJFWSA-N 2 1 309.414 -1.686 20 0 DAADMP C[C@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[NH2+]CCO1 ZINC000638175349 373212575 /nfs/dbraw/zinc/21/25/75/373212575.db2.gz ZGDPWNQMHQZCBD-IUODEOHRSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000638349321 373214991 /nfs/dbraw/zinc/21/49/91/373214991.db2.gz JFNJMHHPOUUDKZ-SNVBAGLBSA-N 2 1 304.416 -1.618 20 0 DAADMP O[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O ZINC000278708289 373190561 /nfs/dbraw/zinc/19/05/61/373190561.db2.gz KBDWGVGZJWIHMF-GEEKYZPCSA-N 2 1 308.378 -1.239 20 0 DAADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945844 373305107 /nfs/dbraw/zinc/30/51/07/373305107.db2.gz YDUKZYUGXSLLDU-DFBGVHRSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945844 373305109 /nfs/dbraw/zinc/30/51/09/373305109.db2.gz YDUKZYUGXSLLDU-DFBGVHRSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945844 373305112 /nfs/dbraw/zinc/30/51/12/373305112.db2.gz YDUKZYUGXSLLDU-DFBGVHRSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945844 373305115 /nfs/dbraw/zinc/30/51/15/373305115.db2.gz YDUKZYUGXSLLDU-DFBGVHRSSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945846 373307432 /nfs/dbraw/zinc/30/74/32/373307432.db2.gz YDUKZYUGXSLLDU-TUKIKUTGSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945846 373307435 /nfs/dbraw/zinc/30/74/35/373307435.db2.gz YDUKZYUGXSLLDU-TUKIKUTGSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945846 373307436 /nfs/dbraw/zinc/30/74/36/373307436.db2.gz YDUKZYUGXSLLDU-TUKIKUTGSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945846 373307438 /nfs/dbraw/zinc/30/74/38/373307438.db2.gz YDUKZYUGXSLLDU-TUKIKUTGSA-N 2 1 313.398 -1.090 20 0 DAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000633116140 373315160 /nfs/dbraw/zinc/31/51/60/373315160.db2.gz PJSFCIQJSHOKAC-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419359281 373321253 /nfs/dbraw/zinc/32/12/53/373321253.db2.gz QCGZUINDYYYGIS-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262322815 373333632 /nfs/dbraw/zinc/33/36/32/373333632.db2.gz FLYOPYRBAPYQTR-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP Cn1nc2c(cc1=O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC2 ZINC000262221288 373333758 /nfs/dbraw/zinc/33/37/58/373333758.db2.gz UPIZFKHVAADVAD-UHFFFAOYSA-N 2 1 305.382 -1.040 20 0 DAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627456219 373352272 /nfs/dbraw/zinc/35/22/72/373352272.db2.gz FBZKBQDIOOWPPE-QNWHQSFQSA-N 2 1 310.398 -1.480 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000629792299 373405046 /nfs/dbraw/zinc/40/50/46/373405046.db2.gz ZXSQTYRAAPCZEU-UHFFFAOYSA-N 2 1 312.414 -1.026 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000629805356 373408664 /nfs/dbraw/zinc/40/86/64/373408664.db2.gz YNACDKXILMMJCY-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000629805354 373409180 /nfs/dbraw/zinc/40/91/80/373409180.db2.gz YNACDKXILMMJCY-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629805998 373409671 /nfs/dbraw/zinc/40/96/71/373409671.db2.gz RAFPNBUCXFLJMQ-NWDGAFQWSA-N 2 1 314.386 -2.303 20 0 DAADMP C[NH+]1CCN(C(=O)Cn2cc(CCN3CC[NH2+]CC3)nn2)CC1 ZINC000640836636 373420331 /nfs/dbraw/zinc/42/03/31/373420331.db2.gz AUBQXOBQGKKBPO-UHFFFAOYSA-N 2 1 321.429 -1.500 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1=O ZINC000629173947 373383563 /nfs/dbraw/zinc/38/35/63/373383563.db2.gz LLISRGCUCCIGHN-CHWSQXEVSA-N 2 1 312.414 -1.421 20 0 DAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000629565895 373397416 /nfs/dbraw/zinc/39/74/16/373397416.db2.gz ICDQVMWHBDUMBF-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000629565895 373397427 /nfs/dbraw/zinc/39/74/27/373397427.db2.gz ICDQVMWHBDUMBF-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000629577887 373401389 /nfs/dbraw/zinc/40/13/89/373401389.db2.gz DXUBZTFFKOOBBE-UHFFFAOYSA-N 2 1 312.414 -1.026 20 0 DAADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000629577887 373401400 /nfs/dbraw/zinc/40/14/00/373401400.db2.gz DXUBZTFFKOOBBE-UHFFFAOYSA-N 2 1 312.414 -1.026 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642222691 373439938 /nfs/dbraw/zinc/43/99/38/373439938.db2.gz VZJKANLVHYZVSS-NWDGAFQWSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238088 373521989 /nfs/dbraw/zinc/52/19/89/373521989.db2.gz FMFUVVYNFSHBRI-IHRRRGAJSA-N 2 1 323.441 -1.217 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000578738757 373585004 /nfs/dbraw/zinc/58/50/04/373585004.db2.gz SQGYBCZVWWPVIY-FQUUOJAGSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000578738757 373585011 /nfs/dbraw/zinc/58/50/11/373585011.db2.gz SQGYBCZVWWPVIY-FQUUOJAGSA-N 2 1 324.425 -1.280 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC000579092008 373587845 /nfs/dbraw/zinc/58/78/45/373587845.db2.gz GWLQVBDOLLJDJO-ZDUSSCGKSA-N 2 1 311.430 -1.312 20 0 DAADMP CN(C(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000579342599 373590506 /nfs/dbraw/zinc/59/05/06/373590506.db2.gz WQPXTZPSKDQKGF-STQMWFEESA-N 2 1 310.398 -1.668 20 0 DAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000567573562 373537408 /nfs/dbraw/zinc/53/74/08/373537408.db2.gz QCXRTFSKHCASQX-LLVKDONJSA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000579731109 373594605 /nfs/dbraw/zinc/59/46/05/373594605.db2.gz GREAEQPFGPTXEK-GOEBONIOSA-N 2 1 308.426 -1.051 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555402 /nfs/dbraw/zinc/55/54/02/373555402.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555406 /nfs/dbraw/zinc/55/54/06/373555406.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555410 /nfs/dbraw/zinc/55/54/10/373555410.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 1 323.459 -1.074 20 0 DAADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000579731105 373595443 /nfs/dbraw/zinc/59/54/43/373595443.db2.gz GREAEQPFGPTXEK-GDBMZVCRSA-N 2 1 308.426 -1.051 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999403 373568150 /nfs/dbraw/zinc/56/81/50/373568150.db2.gz GKFDUYQCZQAOAG-AGIUHOORSA-N 2 1 301.387 -1.485 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000575812433 373568299 /nfs/dbraw/zinc/56/82/99/373568299.db2.gz LXMDBYCRSPTYIO-NWDGAFQWSA-N 2 1 309.432 -1.322 20 0 DAADMP COC(=O)C[C@H](N)C(=O)NC[C@@H]1CCCN(CC(=O)OC)C1 ZINC000576753498 373570683 /nfs/dbraw/zinc/57/06/83/373570683.db2.gz VUHXXIGHPHYGFI-QWRGUYRKSA-N 2 1 315.370 -1.122 20 0 DAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000580541600 373571029 /nfs/dbraw/zinc/57/10/29/373571029.db2.gz OTRJQJSDHOBDJW-CYBMUJFWSA-N 2 1 311.430 -1.360 20 0 DAADMP CCN1CCN(C(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000576758183 373571504 /nfs/dbraw/zinc/57/15/04/373571504.db2.gz GSJZMQKEWTYSMM-AWEZNQCLSA-N 2 1 323.441 -1.343 20 0 DAADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000576758183 373571518 /nfs/dbraw/zinc/57/15/18/373571518.db2.gz GSJZMQKEWTYSMM-AWEZNQCLSA-N 2 1 323.441 -1.343 20 0 DAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000577047952 373575037 /nfs/dbraw/zinc/57/50/37/373575037.db2.gz ACYSOFVYANFYQG-AWEZNQCLSA-N 2 1 323.441 -1.297 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623927412 373662173 /nfs/dbraw/zinc/66/21/73/373662173.db2.gz GWRLYBCOVQXSHU-VIFPVBQESA-N 2 1 308.390 -1.527 20 0 DAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627357849 373669735 /nfs/dbraw/zinc/66/97/35/373669735.db2.gz SFLKSILMRYXMJG-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627356064 373671412 /nfs/dbraw/zinc/67/14/12/373671412.db2.gz XRSKQDZPYYZIHJ-VXGBXAGGSA-N 2 1 316.402 -1.745 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627356064 373671418 /nfs/dbraw/zinc/67/14/18/373671418.db2.gz XRSKQDZPYYZIHJ-VXGBXAGGSA-N 2 1 316.402 -1.745 20 0 DAADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470474 373682461 /nfs/dbraw/zinc/68/24/61/373682461.db2.gz STSVUYKEGFHSFI-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476481 373684278 /nfs/dbraw/zinc/68/42/78/373684278.db2.gz GBUAMHWEPBHBMK-QNWHQSFQSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476479 373684919 /nfs/dbraw/zinc/68/49/19/373684919.db2.gz GBUAMHWEPBHBMK-FVCCEPFGSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839724 373698574 /nfs/dbraw/zinc/69/85/74/373698574.db2.gz KCRZZGRXUDRGCL-VXGBXAGGSA-N 2 1 320.459 -1.089 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839724 373698582 /nfs/dbraw/zinc/69/85/82/373698582.db2.gz KCRZZGRXUDRGCL-VXGBXAGGSA-N 2 1 320.459 -1.089 20 0 DAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000633146654 373731140 /nfs/dbraw/zinc/73/11/40/373731140.db2.gz PSGZFGJEXAYETI-RVMXOQNASA-N 2 1 312.414 -1.152 20 0 DAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000633146654 373731148 /nfs/dbraw/zinc/73/11/48/373731148.db2.gz PSGZFGJEXAYETI-RVMXOQNASA-N 2 1 312.414 -1.152 20 0 DAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000633121611 373731195 /nfs/dbraw/zinc/73/11/95/373731195.db2.gz ZLDXCDFQYVJDDU-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000633121611 373731199 /nfs/dbraw/zinc/73/11/99/373731199.db2.gz ZLDXCDFQYVJDDU-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000645950431 545788289 /nfs/dbraw/zinc/78/82/89/545788289.db2.gz QGLQXUVFIJOISY-CYBMUJFWSA-N 2 1 311.430 -1.310 20 0 DAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353639135 132150587 /nfs/dbraw/zinc/15/05/87/132150587.db2.gz MUJFAYMGACWZHS-NSHDSACASA-N 2 1 313.402 -1.798 20 0 DAADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656101976 545815865 /nfs/dbraw/zinc/81/58/65/545815865.db2.gz AGAOUAMHVIAODQ-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627385121 545829221 /nfs/dbraw/zinc/82/92/21/545829221.db2.gz ZPIOUOZIDXCZOJ-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193488965 782006843 /nfs/dbraw/zinc/00/68/43/782006843.db2.gz QRXHCUDEIJXWRX-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001193488960 782007740 /nfs/dbraw/zinc/00/77/40/782007740.db2.gz QRXHCUDEIJXWRX-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653119450 409328584 /nfs/dbraw/zinc/32/85/84/409328584.db2.gz KDHCFZVHLSJZSY-LRDDRELGSA-N 2 1 324.425 -1.109 20 0 DAADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092391 409328012 /nfs/dbraw/zinc/32/80/12/409328012.db2.gz UAXDRVPHRKDZLB-GFCCVEGCSA-N 2 1 318.443 -1.194 20 0 DAADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647877614 409402072 /nfs/dbraw/zinc/40/20/72/409402072.db2.gz WZRFFVCPYAAZHR-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638126370 409408297 /nfs/dbraw/zinc/40/82/97/409408297.db2.gz ULKNYSVUVVAEOT-OAHLLOKOSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000330441743 409418067 /nfs/dbraw/zinc/41/80/67/409418067.db2.gz SKPFXUDECUKDQZ-LBPRGKRZSA-N 2 1 318.443 -1.097 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000330441743 409418071 /nfs/dbraw/zinc/41/80/71/409418071.db2.gz SKPFXUDECUKDQZ-LBPRGKRZSA-N 2 1 318.443 -1.097 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)[N@@H+](C)C1 ZINC000330542260 409421720 /nfs/dbraw/zinc/42/17/20/409421720.db2.gz AIHWERKGISAIBK-IHRRRGAJSA-N 2 1 315.414 -1.143 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000366993252 409444945 /nfs/dbraw/zinc/44/49/45/409444945.db2.gz BKSRYKVYPZCIEJ-GFCCVEGCSA-N 2 1 318.443 -1.097 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000366993252 409444952 /nfs/dbraw/zinc/44/49/52/409444952.db2.gz BKSRYKVYPZCIEJ-GFCCVEGCSA-N 2 1 318.443 -1.097 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333695541 409467511 /nfs/dbraw/zinc/46/75/11/409467511.db2.gz QFPKZDOQTKQYIC-JTQLQIEISA-N 2 1 317.415 -2.023 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000332597787 409462970 /nfs/dbraw/zinc/46/29/70/409462970.db2.gz MMTQQPWEPGLVJS-STQMWFEESA-N 2 1 310.398 -1.131 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000332597787 409462974 /nfs/dbraw/zinc/46/29/74/409462974.db2.gz MMTQQPWEPGLVJS-STQMWFEESA-N 2 1 310.398 -1.131 20 0 DAADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000516180871 409556385 /nfs/dbraw/zinc/55/63/85/409556385.db2.gz PLLJJYKVOQZJCX-QWHCGFSZSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000516434819 409558920 /nfs/dbraw/zinc/55/89/20/409558920.db2.gz PMAXWOCXCXDDAC-BZPMIXESSA-N 2 1 323.441 -1.171 20 0 DAADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)C[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511259 /nfs/dbraw/zinc/51/12/59/409511259.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 2 1 312.414 -1.258 20 0 DAADMP C[C@@]1(C(N)=O)CC[NH+](C[C@H](O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511262 /nfs/dbraw/zinc/51/12/62/409511262.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 2 1 312.414 -1.258 20 0 DAADMP C[C@@]1(C(N)=O)CC[NH+](C[C@H](O)C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511265 /nfs/dbraw/zinc/51/12/65/409511265.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 2 1 312.414 -1.258 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659738182 409533598 /nfs/dbraw/zinc/53/35/98/409533598.db2.gz BEQLPUSKJBSGLM-CHWSQXEVSA-N 2 1 311.430 -1.312 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420034659 409537912 /nfs/dbraw/zinc/53/79/12/409537912.db2.gz XRBSBLDTJQHFRQ-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420034659 409537922 /nfs/dbraw/zinc/53/79/22/409537922.db2.gz XRBSBLDTJQHFRQ-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000420019961 409539055 /nfs/dbraw/zinc/53/90/55/409539055.db2.gz DCTGNRAGCIVEMZ-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000420019961 409539065 /nfs/dbraw/zinc/53/90/65/409539065.db2.gz DCTGNRAGCIVEMZ-WDEREUQCSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420127447 409539932 /nfs/dbraw/zinc/53/99/32/409539932.db2.gz ORDVWLMPMMXSAM-UHFFFAOYSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420034658 409540321 /nfs/dbraw/zinc/54/03/21/409540321.db2.gz XRBSBLDTJQHFRQ-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420034658 409540326 /nfs/dbraw/zinc/54/03/26/409540326.db2.gz XRBSBLDTJQHFRQ-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP CCOCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430647996 409569493 /nfs/dbraw/zinc/56/94/93/409569493.db2.gz YPEIJNRKMDPNHS-LBPRGKRZSA-N 2 1 300.403 -1.074 20 0 DAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423012550 409547105 /nfs/dbraw/zinc/54/71/05/409547105.db2.gz KWJUKABESMOBRM-ZDUSSCGKSA-N 2 1 312.414 -1.027 20 0 DAADMP COCC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430897747 409571255 /nfs/dbraw/zinc/57/12/55/409571255.db2.gz QPTQPXPQXDLKOH-GFCCVEGCSA-N 2 1 300.403 -1.074 20 0 DAADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000662310485 409710388 /nfs/dbraw/zinc/71/03/88/409710388.db2.gz LBKDUYQJXWTZPF-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000662310485 409710399 /nfs/dbraw/zinc/71/03/99/409710399.db2.gz LBKDUYQJXWTZPF-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576292250 409658119 /nfs/dbraw/zinc/65/81/19/409658119.db2.gz ISBUXYXCNUBKEA-MNOVXSKESA-N 2 1 312.370 -1.748 20 0 DAADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655960908 409675104 /nfs/dbraw/zinc/67/51/04/409675104.db2.gz CVCVCIJVWQUCMZ-UONOGXRCSA-N 2 1 311.430 -1.258 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659683248 409688145 /nfs/dbraw/zinc/68/81/45/409688145.db2.gz WRFHUBCBRLVUKJ-QJPTWQEYSA-N 2 1 315.393 -1.754 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659693878 409689421 /nfs/dbraw/zinc/68/94/21/409689421.db2.gz CNRCTEKROBCIIB-NSHDSACASA-N 2 1 313.402 -2.009 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000659691618 409689524 /nfs/dbraw/zinc/68/95/24/409689524.db2.gz LOIUAGZWQHMPGL-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000659697802 409689915 /nfs/dbraw/zinc/68/99/15/409689915.db2.gz VRRHEPWEDGZSDD-NGWKBDRKSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000659697802 409689920 /nfs/dbraw/zinc/68/99/20/409689920.db2.gz VRRHEPWEDGZSDD-NGWKBDRKSA-N 2 1 310.398 -1.310 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659709748 409690452 /nfs/dbraw/zinc/69/04/52/409690452.db2.gz LNSLBWDCNHTDHE-CHWSQXEVSA-N 2 1 313.446 -1.290 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659706874 409690633 /nfs/dbraw/zinc/69/06/33/409690633.db2.gz QYMBWXRGDBTGFH-MQYJIDSJSA-N 2 1 310.398 -1.309 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659682217 409690960 /nfs/dbraw/zinc/69/09/60/409690960.db2.gz HRHKBCXWSKFLCN-GFCCVEGCSA-N 2 1 311.430 -1.264 20 0 DAADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000662981829 409721245 /nfs/dbraw/zinc/72/12/45/409721245.db2.gz SFKAWZFSTBHDSC-ZOBORPQBSA-N 2 1 324.425 -1.150 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000662966972 409723094 /nfs/dbraw/zinc/72/30/94/409723094.db2.gz WJIOLFPRQHKCEG-XWAURUHHSA-N 2 1 308.382 -1.787 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)[N@H+]1CCO ZINC000662976976 409723592 /nfs/dbraw/zinc/72/35/92/409723592.db2.gz RPRNOSYOTNSIKV-ZAQWFSBCSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)[N@@H+]1CCO ZINC000662976976 409723598 /nfs/dbraw/zinc/72/35/98/409723598.db2.gz RPRNOSYOTNSIKV-ZAQWFSBCSA-N 2 1 324.425 -1.150 20 0 DAADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446776598 409776970 /nfs/dbraw/zinc/77/69/70/409776970.db2.gz NOIKJZJJADBERT-UHFFFAOYSA-N 2 1 310.402 -0.549 20 0 DAADMP CC[C@H]([NH2+]C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662579055 409713145 /nfs/dbraw/zinc/71/31/45/409713145.db2.gz YFQKAZLBDNIITL-NSHDSACASA-N 2 1 304.416 -1.570 20 0 DAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1(O)C[NH2+]C1 ZINC000662756476 409718092 /nfs/dbraw/zinc/71/80/92/409718092.db2.gz IBGXTWXBGIDUSO-UHFFFAOYSA-N 2 1 320.397 -1.561 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001193791840 782015775 /nfs/dbraw/zinc/01/57/75/782015775.db2.gz RCHGBJOZDSRCBH-MCIONIFRSA-N 2 1 322.413 -1.220 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001193791840 782015786 /nfs/dbraw/zinc/01/57/86/782015786.db2.gz RCHGBJOZDSRCBH-MCIONIFRSA-N 2 1 322.413 -1.220 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026671 782025763 /nfs/dbraw/zinc/02/57/63/782025763.db2.gz IEFGWSYCNVVDQO-NSHDSACASA-N 2 1 311.386 -1.190 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026671 782025790 /nfs/dbraw/zinc/02/57/90/782025790.db2.gz IEFGWSYCNVVDQO-NSHDSACASA-N 2 1 311.386 -1.190 20 0 DAADMP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194053505 782026960 /nfs/dbraw/zinc/02/69/60/782026960.db2.gz BGEBPPJUVHIKHK-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194053505 782026971 /nfs/dbraw/zinc/02/69/71/782026971.db2.gz BGEBPPJUVHIKHK-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194053505 782026974 /nfs/dbraw/zinc/02/69/74/782026974.db2.gz BGEBPPJUVHIKHK-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194053505 782026987 /nfs/dbraw/zinc/02/69/87/782026987.db2.gz BGEBPPJUVHIKHK-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000370685720 263224933 /nfs/dbraw/zinc/22/49/33/263224933.db2.gz HPZKGKJCQDTARX-LBPRGKRZSA-N 2 1 323.397 -1.223 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420071372 263226890 /nfs/dbraw/zinc/22/68/90/263226890.db2.gz XSNBGYMSLIAJMM-GFCCVEGCSA-N 2 1 312.414 -1.245 20 0 DAADMP CN1C(=O)N[C@@]2(CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)C1=O ZINC000328688992 263228577 /nfs/dbraw/zinc/22/85/77/263228577.db2.gz QGDVQYCJAJBGNG-OAHLLOKOSA-N 2 1 323.397 -1.019 20 0 DAADMP CN1C(=O)N[C@@]2(CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000328688992 263228578 /nfs/dbraw/zinc/22/85/78/263228578.db2.gz QGDVQYCJAJBGNG-OAHLLOKOSA-N 2 1 323.397 -1.019 20 0 DAADMP CN1C(=O)N[C@@]2(CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000328688992 263228580 /nfs/dbraw/zinc/22/85/80/263228580.db2.gz QGDVQYCJAJBGNG-OAHLLOKOSA-N 2 1 323.397 -1.019 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419895007 263228712 /nfs/dbraw/zinc/22/87/12/263228712.db2.gz OFUIAOUNTNSMMQ-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430631663 263231593 /nfs/dbraw/zinc/23/15/93/263231593.db2.gz VKCVSHDFTNPHQG-LLVKDONJSA-N 2 1 306.432 -1.287 20 0 DAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420209786 263236011 /nfs/dbraw/zinc/23/60/11/263236011.db2.gz VRLFSPYWUAZYLK-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP O=C([C@@H]1CCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424030469 263236032 /nfs/dbraw/zinc/23/60/32/263236032.db2.gz QVTDSMOPXVQLDM-LBPRGKRZSA-N 2 1 316.427 -1.426 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000358070120 263238745 /nfs/dbraw/zinc/23/87/45/263238745.db2.gz UKXNOCBRWLKXKS-IUODEOHRSA-N 2 1 312.414 -1.421 20 0 DAADMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000516180870 263241940 /nfs/dbraw/zinc/24/19/40/263241940.db2.gz PLLJJYKVOQZJCX-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP CC(C)NC(=O)CN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000356056987 263245881 /nfs/dbraw/zinc/24/58/81/263245881.db2.gz IWXDCHILTZWAOI-AWEZNQCLSA-N 2 1 300.403 -1.374 20 0 DAADMP COCC[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262011228 263248604 /nfs/dbraw/zinc/24/86/04/263248604.db2.gz FJXPYESGFSUCIE-ZDUSSCGKSA-N 2 1 300.403 -1.124 20 0 DAADMP CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408032987 263252571 /nfs/dbraw/zinc/25/25/71/263252571.db2.gz GEBUHROYLARUDI-ZDUSSCGKSA-N 2 1 323.441 -1.216 20 0 DAADMP CN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000331438497 263253495 /nfs/dbraw/zinc/25/34/95/263253495.db2.gz BCEHPKQCBVNUPJ-VOAKCMCISA-N 2 1 310.398 -1.480 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000332087863 263257222 /nfs/dbraw/zinc/25/72/22/263257222.db2.gz JDCYAWGFARQCNX-ZIAGYGMSSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332087863 263257224 /nfs/dbraw/zinc/25/72/24/263257224.db2.gz JDCYAWGFARQCNX-ZIAGYGMSSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332087863 263257226 /nfs/dbraw/zinc/25/72/26/263257226.db2.gz JDCYAWGFARQCNX-ZIAGYGMSSA-N 2 1 323.441 -1.345 20 0 DAADMP O=C([C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424030882 263257500 /nfs/dbraw/zinc/25/75/00/263257500.db2.gz SAVWHGIGISSZTP-NSHDSACASA-N 2 1 316.427 -1.568 20 0 DAADMP CCCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039469 263260611 /nfs/dbraw/zinc/26/06/11/263260611.db2.gz KBKIHGPAXDDPDQ-GFCCVEGCSA-N 2 1 318.443 -1.050 20 0 DAADMP CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000170370045 263260827 /nfs/dbraw/zinc/26/08/27/263260827.db2.gz MXBBTCWQBKAYHI-UHFFFAOYSA-N 2 1 312.414 -1.011 20 0 DAADMP O=C([C@H]1CCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424030462 263264086 /nfs/dbraw/zinc/26/40/86/263264086.db2.gz QVTDSMOPXVQLDM-GFCCVEGCSA-N 2 1 316.427 -1.426 20 0 DAADMP CC(C)C[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424045400 263266198 /nfs/dbraw/zinc/26/61/98/263266198.db2.gz UAXDRVPHRKDZLB-LBPRGKRZSA-N 2 1 318.443 -1.194 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000407982494 263268593 /nfs/dbraw/zinc/26/85/93/263268593.db2.gz HHHDEDOBZRMKQB-NSHDSACASA-N 2 1 304.416 -1.487 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000407982494 263268594 /nfs/dbraw/zinc/26/85/94/263268594.db2.gz HHHDEDOBZRMKQB-NSHDSACASA-N 2 1 304.416 -1.487 20 0 DAADMP C[NH2+]C[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034714 263273786 /nfs/dbraw/zinc/27/37/86/263273786.db2.gz BEWPIGACBUQUGJ-JTQLQIEISA-N 2 1 304.416 -1.712 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000419894077 263282628 /nfs/dbraw/zinc/28/26/28/263282628.db2.gz VSGNAUHIECWLNR-NEPJUHHUSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000419894077 263282630 /nfs/dbraw/zinc/28/26/30/263282630.db2.gz VSGNAUHIECWLNR-NEPJUHHUSA-N 2 1 312.414 -1.232 20 0 DAADMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424047201 263284690 /nfs/dbraw/zinc/28/46/90/263284690.db2.gz WVVZOSQXYXNEMG-MNOVXSKESA-N 2 1 316.427 -1.440 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348994273 263286506 /nfs/dbraw/zinc/28/65/06/263286506.db2.gz SICDOWDWJAKVOK-UHFFFAOYSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332090788 263290783 /nfs/dbraw/zinc/29/07/83/263290783.db2.gz BDZJBZWDDGMGRC-RFGFWPKPSA-N 2 1 324.425 -1.280 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423381694 263291711 /nfs/dbraw/zinc/29/17/11/263291711.db2.gz NWUOVNHHYHKGLB-OLZOCXBDSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000423381694 263291713 /nfs/dbraw/zinc/29/17/13/263291713.db2.gz NWUOVNHHYHKGLB-OLZOCXBDSA-N 2 1 312.414 -1.029 20 0 DAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873933 263296401 /nfs/dbraw/zinc/29/64/01/263296401.db2.gz SFKUEUXGSOFKFN-ZDUSSCGKSA-N 2 1 311.430 -1.392 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351558699 263302476 /nfs/dbraw/zinc/30/24/76/263302476.db2.gz NEIYOXVIRLCUBF-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000375920985 263302488 /nfs/dbraw/zinc/30/24/88/263302488.db2.gz HJPUYUOKISZMSB-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000419896469 263306684 /nfs/dbraw/zinc/30/66/84/263306684.db2.gz NKMUICYEGAEKTK-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000419896469 263306686 /nfs/dbraw/zinc/30/66/86/263306686.db2.gz NKMUICYEGAEKTK-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000353574763 263309018 /nfs/dbraw/zinc/30/90/18/263309018.db2.gz DAEBBZAMWBYTGS-QWHCGFSZSA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353574763 263309020 /nfs/dbraw/zinc/30/90/20/263309020.db2.gz DAEBBZAMWBYTGS-QWHCGFSZSA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353574763 263309023 /nfs/dbraw/zinc/30/90/23/263309023.db2.gz DAEBBZAMWBYTGS-QWHCGFSZSA-N 2 1 311.430 -1.182 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])CCO)C1 ZINC000342398370 263309525 /nfs/dbraw/zinc/30/95/25/263309525.db2.gz GEQYJMUUFKGLLP-AWEZNQCLSA-N 2 1 316.446 -1.288 20 0 DAADMP CC(C)Nc1nc(NCC[N@@H+](C)C2CC2)nc(NCCO)[nH+]1 ZINC000341837553 263315162 /nfs/dbraw/zinc/31/51/62/263315162.db2.gz BSGOGPLLPAJCJV-UHFFFAOYSA-N 2 1 309.418 -1.132 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419678100 263317356 /nfs/dbraw/zinc/31/73/56/263317356.db2.gz NQTAFOVNIYMCLT-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332491538 263317855 /nfs/dbraw/zinc/31/78/55/263317855.db2.gz VIRJBFBIGHHSBS-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332090790 263320385 /nfs/dbraw/zinc/32/03/85/263320385.db2.gz BDZJBZWDDGMGRC-XUXIUFHCSA-N 2 1 324.425 -1.280 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423229096 263323697 /nfs/dbraw/zinc/32/36/97/263323697.db2.gz AGQNYSBZDJQMMI-GFCCVEGCSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001195676560 782074491 /nfs/dbraw/zinc/07/44/91/782074491.db2.gz GMGBSYOQHJOQFE-CHWSQXEVSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001195676560 782074498 /nfs/dbraw/zinc/07/44/98/782074498.db2.gz GMGBSYOQHJOQFE-CHWSQXEVSA-N 2 1 322.413 -1.219 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981290 782088112 /nfs/dbraw/zinc/08/81/12/782088112.db2.gz SXODHOSFOBTYGD-AAVRWANBSA-N 2 1 317.430 -1.259 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000570464734 332759937 /nfs/dbraw/zinc/75/99/37/332759937.db2.gz XYGZHRBHHKYNII-OLZOCXBDSA-N 2 1 310.398 -1.355 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000571277749 333694633 /nfs/dbraw/zinc/69/46/33/333694633.db2.gz TZLZZDBSRINZRH-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP COC[C@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000571526187 333813881 /nfs/dbraw/zinc/81/38/81/333813881.db2.gz NGZKXOOGUIZNMZ-HNNXBMFYSA-N 2 1 312.414 -1.107 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000333819401 336210499 /nfs/dbraw/zinc/21/04/99/336210499.db2.gz KQTHMBVYVXQDJM-KBPBESRZSA-N 2 1 313.446 -1.012 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000333819412 336210510 /nfs/dbraw/zinc/21/05/10/336210510.db2.gz KQTHMBVYVXQDJM-UONOGXRCSA-N 2 1 313.446 -1.012 20 0 DAADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C[NH3+])CC1 ZINC000582786997 337165172 /nfs/dbraw/zinc/16/51/72/337165172.db2.gz WJKYGXIVEHAAKU-SECBINFHSA-N 2 1 323.397 -1.092 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000582903930 337213637 /nfs/dbraw/zinc/21/36/37/337213637.db2.gz SDKZYVZXEKFMOE-JTQLQIEISA-N 2 1 309.374 -1.127 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000582903930 337213638 /nfs/dbraw/zinc/21/36/38/337213638.db2.gz SDKZYVZXEKFMOE-JTQLQIEISA-N 2 1 309.374 -1.127 20 0 DAADMP CO[C@@H](C[NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584410267 337320881 /nfs/dbraw/zinc/32/08/81/337320881.db2.gz VSEGKRYAZDETDE-SNVBAGLBSA-N 2 1 320.415 -2.204 20 0 DAADMP [NH3+][C@H]1CC[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424047202 337730735 /nfs/dbraw/zinc/73/07/35/337730735.db2.gz WVVZOSQXYXNEMG-QWRGUYRKSA-N 2 1 316.427 -1.440 20 0 DAADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565480600 341528694 /nfs/dbraw/zinc/52/86/94/341528694.db2.gz GMOQONSJWCUIKD-GHMZBOCLSA-N 2 1 307.350 -1.187 20 0 DAADMP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946562 782117613 /nfs/dbraw/zinc/11/76/13/782117613.db2.gz MBIBJAZXZNLHCZ-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946562 782117618 /nfs/dbraw/zinc/11/76/18/782117618.db2.gz MBIBJAZXZNLHCZ-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001196953879 782117905 /nfs/dbraw/zinc/11/79/05/782117905.db2.gz JTUJFXBAMGCGCV-CHWSQXEVSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196953879 782117911 /nfs/dbraw/zinc/11/79/11/782117911.db2.gz JTUJFXBAMGCGCV-CHWSQXEVSA-N 2 1 301.387 -1.748 20 0 DAADMP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946560 782118850 /nfs/dbraw/zinc/11/88/50/782118850.db2.gz MBIBJAZXZNLHCZ-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946560 782118853 /nfs/dbraw/zinc/11/88/53/782118853.db2.gz MBIBJAZXZNLHCZ-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197493403 782134738 /nfs/dbraw/zinc/13/47/38/782134738.db2.gz LOSYFYUTUNJVKF-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197493403 782134741 /nfs/dbraw/zinc/13/47/41/782134741.db2.gz LOSYFYUTUNJVKF-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001197493403 782134725 /nfs/dbraw/zinc/13/47/25/782134725.db2.gz LOSYFYUTUNJVKF-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001197493403 782134729 /nfs/dbraw/zinc/13/47/29/782134729.db2.gz LOSYFYUTUNJVKF-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197825692 782142849 /nfs/dbraw/zinc/14/28/49/782142849.db2.gz GDVLUBUEDRYBLC-CHWSQXEVSA-N 2 1 319.402 -2.265 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197825692 782142853 /nfs/dbraw/zinc/14/28/53/782142853.db2.gz GDVLUBUEDRYBLC-CHWSQXEVSA-N 2 1 319.402 -2.265 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197826235 782142320 /nfs/dbraw/zinc/14/23/20/782142320.db2.gz RSOYTSSZBMXAFS-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001198004148 782143913 /nfs/dbraw/zinc/14/39/13/782143913.db2.gz WPFSGZLLVFLANV-BFHYXJOUSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001198004148 782143917 /nfs/dbraw/zinc/14/39/17/782143917.db2.gz WPFSGZLLVFLANV-BFHYXJOUSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001198004148 782143926 /nfs/dbraw/zinc/14/39/26/782143926.db2.gz WPFSGZLLVFLANV-BFHYXJOUSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001198048489 782146165 /nfs/dbraw/zinc/14/61/65/782146165.db2.gz WMXSPTLIOHMYMU-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001198048489 782146169 /nfs/dbraw/zinc/14/61/69/782146169.db2.gz WMXSPTLIOHMYMU-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001198048489 782146177 /nfs/dbraw/zinc/14/61/77/782146177.db2.gz WMXSPTLIOHMYMU-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001198048489 782146179 /nfs/dbraw/zinc/14/61/79/782146179.db2.gz WMXSPTLIOHMYMU-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445199 782153981 /nfs/dbraw/zinc/15/39/81/782153981.db2.gz DDMREHODHOFMBJ-JTQLQIEISA-N 2 1 301.391 -1.124 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198654288 782159608 /nfs/dbraw/zinc/15/96/08/782159608.db2.gz RPXCWVJIIWBVNQ-JHJVBQTASA-N 2 1 301.387 -1.892 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001198654288 782159612 /nfs/dbraw/zinc/15/96/12/782159612.db2.gz RPXCWVJIIWBVNQ-JHJVBQTASA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001198654288 782159622 /nfs/dbraw/zinc/15/96/22/782159622.db2.gz RPXCWVJIIWBVNQ-JHJVBQTASA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001198654288 782159628 /nfs/dbraw/zinc/15/96/28/782159628.db2.gz RPXCWVJIIWBVNQ-JHJVBQTASA-N 2 1 301.387 -1.892 20 0 DAADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198653018 782160511 /nfs/dbraw/zinc/16/05/11/782160511.db2.gz FAUHHCZARXUGDJ-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653018 782160512 /nfs/dbraw/zinc/16/05/12/782160512.db2.gz FAUHHCZARXUGDJ-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653018 782160505 /nfs/dbraw/zinc/16/05/05/782160505.db2.gz FAUHHCZARXUGDJ-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653018 782160508 /nfs/dbraw/zinc/16/05/08/782160508.db2.gz FAUHHCZARXUGDJ-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339484504 524059409 /nfs/dbraw/zinc/05/94/09/524059409.db2.gz CFGMJNMUMWWOFY-UHFFFAOYSA-N 2 1 300.403 -1.155 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000517731289 545647066 /nfs/dbraw/zinc/64/70/66/545647066.db2.gz VDMCHXBXNWYFSU-ZDUSSCGKSA-N 2 1 311.430 -1.360 20 0 DAADMP CN(CCC[N@H+](C)CC(=O)N1CCNC(=O)C1)CC[NH+](C)C ZINC000344063057 545712390 /nfs/dbraw/zinc/71/23/90/545712390.db2.gz NUHXNJWTROOBKC-UHFFFAOYSA-N 2 1 313.446 -1.240 20 0 DAADMP CN(CCC[N@@H+](C)CC(=O)N1CCNC(=O)C1)CC[NH+](C)C ZINC000344063057 545712395 /nfs/dbraw/zinc/71/23/95/545712395.db2.gz NUHXNJWTROOBKC-UHFFFAOYSA-N 2 1 313.446 -1.240 20 0 DAADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347174795 545715353 /nfs/dbraw/zinc/71/53/53/545715353.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 1 301.435 -1.154 20 0 DAADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347174795 545715360 /nfs/dbraw/zinc/71/53/60/545715360.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 1 301.435 -1.154 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000331577057 545726830 /nfs/dbraw/zinc/72/68/30/545726830.db2.gz WHRIIWKOMQPMNU-KGLIPLIRSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@@H](C[NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331945319 545729652 /nfs/dbraw/zinc/72/96/52/545729652.db2.gz HEWQRISSYJSECK-JTQLQIEISA-N 2 1 319.431 -1.790 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000659750135 545760124 /nfs/dbraw/zinc/76/01/24/545760124.db2.gz MUHXOSQMHZRLQT-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424048427 545774468 /nfs/dbraw/zinc/77/44/68/545774468.db2.gz YVOIJTLPEBOJST-JTQLQIEISA-N 2 1 316.427 -1.427 20 0 DAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000423717424 545775367 /nfs/dbraw/zinc/77/53/67/545775367.db2.gz JVEYMTNOCZHBPG-SDDRHHMPSA-N 2 1 300.403 -1.295 20 0 DAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000423717424 545775372 /nfs/dbraw/zinc/77/53/72/545775372.db2.gz JVEYMTNOCZHBPG-SDDRHHMPSA-N 2 1 300.403 -1.295 20 0 DAADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020907 545811331 /nfs/dbraw/zinc/81/13/31/545811331.db2.gz WIEAAPJGLBMRQK-QWHCGFSZSA-N 2 1 310.398 -1.478 20 0 DAADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020611 545811471 /nfs/dbraw/zinc/81/14/71/545811471.db2.gz SRHJAZGPELGLEG-FRRDWIJNSA-N 2 1 310.398 -1.478 20 0 DAADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023043 545812118 /nfs/dbraw/zinc/81/21/18/545812118.db2.gz SHDDHTTYNHOLEQ-RWMBFGLXSA-N 2 1 312.414 -1.247 20 0 DAADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105158 545816100 /nfs/dbraw/zinc/81/61/00/545816100.db2.gz YNYMBHJXCVIYRR-IGQOVBAYSA-N 2 1 324.425 -1.008 20 0 DAADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+] ZINC000656104580 545817004 /nfs/dbraw/zinc/81/70/04/545817004.db2.gz RCIKFIVOHQVXRY-RQJABVFESA-N 2 1 324.425 -1.150 20 0 DAADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656103641 545817156 /nfs/dbraw/zinc/81/71/56/545817156.db2.gz BFRXBOYXNHMJKT-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+] ZINC000656104579 545817507 /nfs/dbraw/zinc/81/75/07/545817507.db2.gz RCIKFIVOHQVXRY-IGQOVBAYSA-N 2 1 324.425 -1.150 20 0 DAADMP CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC000658805794 545835961 /nfs/dbraw/zinc/83/59/61/545835961.db2.gz ZDEDSEBDSGVYNA-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](C)C1 ZINC000658805794 545835967 /nfs/dbraw/zinc/83/59/67/545835967.db2.gz ZDEDSEBDSGVYNA-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](C)C1 ZINC000658805794 545835972 /nfs/dbraw/zinc/83/59/72/545835972.db2.gz ZDEDSEBDSGVYNA-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902685 545836075 /nfs/dbraw/zinc/83/60/75/545836075.db2.gz CUYTVDZOQZSXLO-AWEZNQCLSA-N 2 1 324.425 -1.182 20 0 DAADMP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000662909067 545840829 /nfs/dbraw/zinc/84/08/29/545840829.db2.gz YCGKDLRASBJKQF-GFCCVEGCSA-N 2 1 307.402 -1.253 20 0 DAADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000673352060 545865153 /nfs/dbraw/zinc/86/51/53/545865153.db2.gz QYOZTVGLYBMPQY-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337239 545893022 /nfs/dbraw/zinc/89/30/22/545893022.db2.gz HETKAVRAPPUESQ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337239 545893027 /nfs/dbraw/zinc/89/30/27/545893027.db2.gz HETKAVRAPPUESQ-NEPJUHHUSA-N 2 1 300.403 -1.158 20 0 DAADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199944103 782188543 /nfs/dbraw/zinc/18/85/43/782188543.db2.gz VFCOBUDLYXTBTE-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944103 782188550 /nfs/dbraw/zinc/18/85/50/782188550.db2.gz VFCOBUDLYXTBTE-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199944105 782188596 /nfs/dbraw/zinc/18/85/96/782188596.db2.gz VFCOBUDLYXTBTE-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944105 782188602 /nfs/dbraw/zinc/18/86/02/782188602.db2.gz VFCOBUDLYXTBTE-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943658 782189461 /nfs/dbraw/zinc/18/94/61/782189461.db2.gz OGLBPOLTHFWBIY-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943658 782189454 /nfs/dbraw/zinc/18/94/54/782189454.db2.gz OGLBPOLTHFWBIY-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C1 ZINC000876898758 663948093 /nfs/dbraw/zinc/94/80/93/663948093.db2.gz CXVTZDXWAWHSBX-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C1 ZINC000876898758 663948094 /nfs/dbraw/zinc/94/80/94/663948094.db2.gz CXVTZDXWAWHSBX-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405898 662306516 /nfs/dbraw/zinc/30/65/16/662306516.db2.gz DVPPLPNTVWNNKI-CPXFUSCUSA-N 2 1 308.382 -1.428 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020405680 662306631 /nfs/dbraw/zinc/30/66/31/662306631.db2.gz ACHZSXJSKYTNGU-XHPDCBOFSA-N 2 1 322.409 -1.040 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021045265 662349096 /nfs/dbraw/zinc/34/90/96/662349096.db2.gz YXLOKVOQCATIQU-SRVKXCTJSA-N 2 1 323.397 -1.273 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021049127 662349299 /nfs/dbraw/zinc/34/92/99/662349299.db2.gz IKFRPBYQIFAGBT-BJDJZHNGSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021045264 662349379 /nfs/dbraw/zinc/34/93/79/662349379.db2.gz YXLOKVOQCATIQU-IJLUTSLNSA-N 2 1 323.397 -1.273 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021080067 662354425 /nfs/dbraw/zinc/35/44/25/662354425.db2.gz ILLPDEHMJTUTPY-ZDEQEGDKSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021080067 662354428 /nfs/dbraw/zinc/35/44/28/662354428.db2.gz ILLPDEHMJTUTPY-ZDEQEGDKSA-N 2 1 310.398 -1.168 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928407 662383255 /nfs/dbraw/zinc/38/32/55/662383255.db2.gz PQMAVPXEDZPTMV-YVECIDJPSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928407 662383258 /nfs/dbraw/zinc/38/32/58/662383258.db2.gz PQMAVPXEDZPTMV-YVECIDJPSA-N 2 1 310.398 -1.216 20 0 DAADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969411 662397330 /nfs/dbraw/zinc/39/73/30/662397330.db2.gz MHGYSTVHBXQRNI-BTJONVMOSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969411 662397332 /nfs/dbraw/zinc/39/73/32/662397332.db2.gz MHGYSTVHBXQRNI-BTJONVMOSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969411 662397333 /nfs/dbraw/zinc/39/73/33/662397333.db2.gz MHGYSTVHBXQRNI-BTJONVMOSA-N 2 1 322.409 -1.132 20 0 DAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969411 662397334 /nfs/dbraw/zinc/39/73/34/662397334.db2.gz MHGYSTVHBXQRNI-BTJONVMOSA-N 2 1 322.409 -1.132 20 0 DAADMP O=C(CC[N@@H+](CCO)CCN1CCOCC1)N1CC[NH2+]CC1 ZINC000262068826 662400369 /nfs/dbraw/zinc/40/03/69/662400369.db2.gz JSUPYDWSHVQUOT-UHFFFAOYSA-N 2 1 314.430 -1.565 20 0 DAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926398479 662403511 /nfs/dbraw/zinc/40/35/11/662403511.db2.gz VSCRNOLMLDJZIV-KBPBESRZSA-N 2 1 323.441 -1.440 20 0 DAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926411128 662405526 /nfs/dbraw/zinc/40/55/26/662405526.db2.gz UKIYWQOOZMEVHI-INIZCTEOSA-N 2 1 323.441 -1.438 20 0 DAADMP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001023084311 662428837 /nfs/dbraw/zinc/42/88/37/662428837.db2.gz NBQVATXZRCGRIZ-MXWKQRLJSA-N 2 1 308.386 -1.203 20 0 DAADMP O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000091673346 662428888 /nfs/dbraw/zinc/42/88/88/662428888.db2.gz BADQYKHLYJPWOK-NWDGAFQWSA-N 2 1 304.416 -1.411 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023216390 662442071 /nfs/dbraw/zinc/44/20/71/662442071.db2.gz GHFWFNKOEMGEIZ-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)C1 ZINC001024417070 662472923 /nfs/dbraw/zinc/47/29/23/662472923.db2.gz JNONIJJXZZROIM-YNEHKIRRSA-N 2 1 321.381 -1.477 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708442 662526549 /nfs/dbraw/zinc/52/65/49/662526549.db2.gz UHTJGBJGGGSQPA-MOWSAHLDSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708442 662526551 /nfs/dbraw/zinc/52/65/51/662526551.db2.gz UHTJGBJGGGSQPA-MOWSAHLDSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708442 662526553 /nfs/dbraw/zinc/52/65/53/662526553.db2.gz UHTJGBJGGGSQPA-MOWSAHLDSA-N 2 1 320.393 -1.068 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719316 662527317 /nfs/dbraw/zinc/52/73/17/662527317.db2.gz HDMNZUUKWRDAEI-MLGHIDQZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719316 662527322 /nfs/dbraw/zinc/52/73/22/662527322.db2.gz HDMNZUUKWRDAEI-MLGHIDQZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719316 662527326 /nfs/dbraw/zinc/52/73/26/662527326.db2.gz HDMNZUUKWRDAEI-MLGHIDQZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719316 662527329 /nfs/dbraw/zinc/52/73/29/662527329.db2.gz HDMNZUUKWRDAEI-MLGHIDQZSA-N 2 1 308.382 -1.748 20 0 DAADMP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719811 662527371 /nfs/dbraw/zinc/52/73/71/662527371.db2.gz DMCWSQJJFWTPMB-MEBFFEOJSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719811 662527373 /nfs/dbraw/zinc/52/73/73/662527373.db2.gz DMCWSQJJFWTPMB-MEBFFEOJSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719811 662527374 /nfs/dbraw/zinc/52/73/74/662527374.db2.gz DMCWSQJJFWTPMB-MEBFFEOJSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719811 662527376 /nfs/dbraw/zinc/52/73/76/662527376.db2.gz DMCWSQJJFWTPMB-MEBFFEOJSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719809 662527684 /nfs/dbraw/zinc/52/76/84/662527684.db2.gz DMCWSQJJFWTPMB-BJJPWKGXSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719809 662527685 /nfs/dbraw/zinc/52/76/85/662527685.db2.gz DMCWSQJJFWTPMB-BJJPWKGXSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719809 662527686 /nfs/dbraw/zinc/52/76/86/662527686.db2.gz DMCWSQJJFWTPMB-BJJPWKGXSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719809 662527687 /nfs/dbraw/zinc/52/76/87/662527687.db2.gz DMCWSQJJFWTPMB-BJJPWKGXSA-N 2 1 322.409 -1.406 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797897 662532509 /nfs/dbraw/zinc/53/25/09/662532509.db2.gz ZOAHDWQPYSGVOU-BIGJJFBESA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797897 662532511 /nfs/dbraw/zinc/53/25/11/662532511.db2.gz ZOAHDWQPYSGVOU-BIGJJFBESA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797897 662532516 /nfs/dbraw/zinc/53/25/16/662532516.db2.gz ZOAHDWQPYSGVOU-BIGJJFBESA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797897 662532519 /nfs/dbraw/zinc/53/25/19/662532519.db2.gz ZOAHDWQPYSGVOU-BIGJJFBESA-N 2 1 322.409 -1.358 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798647 662532752 /nfs/dbraw/zinc/53/27/52/662532752.db2.gz CBDSWKSRPJPBRT-JLDUMIBSSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798647 662532754 /nfs/dbraw/zinc/53/27/54/662532754.db2.gz CBDSWKSRPJPBRT-JLDUMIBSSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798647 662532755 /nfs/dbraw/zinc/53/27/55/662532755.db2.gz CBDSWKSRPJPBRT-JLDUMIBSSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798647 662532756 /nfs/dbraw/zinc/53/27/56/662532756.db2.gz CBDSWKSRPJPBRT-JLDUMIBSSA-N 2 1 308.382 -1.619 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020028858 662537067 /nfs/dbraw/zinc/53/70/67/662537067.db2.gz LMZUHUSIQSGFPU-IJLUTSLNSA-N 2 1 323.397 -1.131 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020028859 662537368 /nfs/dbraw/zinc/53/73/68/662537368.db2.gz LMZUHUSIQSGFPU-SRVKXCTJSA-N 2 1 323.397 -1.131 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542836 /nfs/dbraw/zinc/54/28/36/662542836.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 2 1 310.398 -1.373 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543055 /nfs/dbraw/zinc/54/30/55/662543055.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 2 1 310.398 -1.373 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216714 662576115 /nfs/dbraw/zinc/57/61/15/662576115.db2.gz XEOYIFQKVBVOGY-NEPJUHHUSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216715 662576524 /nfs/dbraw/zinc/57/65/24/662576524.db2.gz XEOYIFQKVBVOGY-NWDGAFQWSA-N 2 1 322.413 -1.002 20 0 DAADMP CN1CCO[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653007 /nfs/dbraw/zinc/65/30/07/662653007.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028547596 662675027 /nfs/dbraw/zinc/67/50/27/662675027.db2.gz YWXUEVMEPSYGNA-LBPRGKRZSA-N 2 1 322.413 -1.018 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028547596 662675028 /nfs/dbraw/zinc/67/50/28/662675028.db2.gz YWXUEVMEPSYGNA-LBPRGKRZSA-N 2 1 322.413 -1.018 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629846 662681527 /nfs/dbraw/zinc/68/15/27/662681527.db2.gz UOHRZLLAFMHPLD-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629846 662681529 /nfs/dbraw/zinc/68/15/29/662681529.db2.gz UOHRZLLAFMHPLD-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629846 662681532 /nfs/dbraw/zinc/68/15/32/662681532.db2.gz UOHRZLLAFMHPLD-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629846 662681534 /nfs/dbraw/zinc/68/15/34/662681534.db2.gz UOHRZLLAFMHPLD-FRRDWIJNSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000983392056 662694251 /nfs/dbraw/zinc/69/42/51/662694251.db2.gz SFPCOLFGMFSFQU-LPWJVIDDSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000983392056 662694253 /nfs/dbraw/zinc/69/42/53/662694253.db2.gz SFPCOLFGMFSFQU-LPWJVIDDSA-N 2 1 310.398 -1.310 20 0 DAADMP Cn1[nH]c(CN2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984887 662694501 /nfs/dbraw/zinc/69/45/01/662694501.db2.gz FWZYVCCIIXJQFP-NEPJUHHUSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001028984887 662694508 /nfs/dbraw/zinc/69/45/08/662694508.db2.gz FWZYVCCIIXJQFP-NEPJUHHUSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984887 662694510 /nfs/dbraw/zinc/69/45/10/662694510.db2.gz FWZYVCCIIXJQFP-NEPJUHHUSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984889 662694527 /nfs/dbraw/zinc/69/45/27/662694527.db2.gz FWZYVCCIIXJQFP-RYUDHWBXSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001028984889 662694533 /nfs/dbraw/zinc/69/45/33/662694533.db2.gz FWZYVCCIIXJQFP-RYUDHWBXSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984889 662694536 /nfs/dbraw/zinc/69/45/36/662694536.db2.gz FWZYVCCIIXJQFP-RYUDHWBXSA-N 2 1 322.413 -1.002 20 0 DAADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000897617414 662745172 /nfs/dbraw/zinc/74/51/72/662745172.db2.gz PCKKNCWPHDVNCD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000897617414 662745175 /nfs/dbraw/zinc/74/51/75/662745175.db2.gz PCKKNCWPHDVNCD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000897617414 662745177 /nfs/dbraw/zinc/74/51/77/662745177.db2.gz PCKKNCWPHDVNCD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000897617414 662745180 /nfs/dbraw/zinc/74/51/80/662745180.db2.gz PCKKNCWPHDVNCD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000990571566 662765682 /nfs/dbraw/zinc/76/56/82/662765682.db2.gz VOKAMBDSVWHKKK-STQMWFEESA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000990571566 662765685 /nfs/dbraw/zinc/76/56/85/662765685.db2.gz VOKAMBDSVWHKKK-STQMWFEESA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685715 662778460 /nfs/dbraw/zinc/77/84/60/662778460.db2.gz VCVDFQKNWPBEMN-SWLSCSKDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685715 662778464 /nfs/dbraw/zinc/77/84/64/662778464.db2.gz VCVDFQKNWPBEMN-SWLSCSKDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH2+]CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000903816390 662790466 /nfs/dbraw/zinc/79/04/66/662790466.db2.gz NSTZXNNIKSICRC-QWHCGFSZSA-N 2 1 312.414 -1.280 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756474 662790923 /nfs/dbraw/zinc/79/09/23/662790923.db2.gz SBFDRMWLDODQDR-TYNCELHUSA-N 2 1 308.382 -1.602 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756474 662790928 /nfs/dbraw/zinc/79/09/28/662790928.db2.gz SBFDRMWLDODQDR-TYNCELHUSA-N 2 1 308.382 -1.602 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@]2(C)C1 ZINC000904968050 662792235 /nfs/dbraw/zinc/79/22/35/662792235.db2.gz FHCSDZQUGXBYAV-KCXAZCMYSA-N 2 1 324.425 -1.291 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985815 662793373 /nfs/dbraw/zinc/79/33/73/662793373.db2.gz DPVQTESXUNMPKA-MELADBBJSA-N 2 1 324.425 -1.006 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904988097 662793406 /nfs/dbraw/zinc/79/34/06/662793406.db2.gz SMMNBVKESZPRSH-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000905016558 662793452 /nfs/dbraw/zinc/79/34/52/662793452.db2.gz SMHKNZFFQNIGNJ-CZUORRHYSA-N 2 1 324.425 -1.013 20 0 DAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985347 662793622 /nfs/dbraw/zinc/79/36/22/662793622.db2.gz ACFRJLTULFMHOJ-UPJWGTAASA-N 2 1 310.398 -1.396 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904987254 662793672 /nfs/dbraw/zinc/79/36/72/662793672.db2.gz OBJHUUUHMVWMTK-CHWSQXEVSA-N 2 1 312.414 -1.149 20 0 DAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985342 662793759 /nfs/dbraw/zinc/79/37/59/662793759.db2.gz ACFRJLTULFMHOJ-AGIUHOORSA-N 2 1 310.398 -1.396 20 0 DAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985345 662793918 /nfs/dbraw/zinc/79/39/18/662793918.db2.gz ACFRJLTULFMHOJ-JHJVBQTASA-N 2 1 310.398 -1.396 20 0 DAADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904987612 662794077 /nfs/dbraw/zinc/79/40/77/662794077.db2.gz QGQMPYPZTDXBTH-FQUUOJAGSA-N 2 1 322.409 -1.383 20 0 DAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985346 662794142 /nfs/dbraw/zinc/79/41/42/662794142.db2.gz ACFRJLTULFMHOJ-RWMBFGLXSA-N 2 1 310.398 -1.396 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904985402 662794189 /nfs/dbraw/zinc/79/41/89/662794189.db2.gz BCZPUDQAJGAWGA-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905110827 662794969 /nfs/dbraw/zinc/79/49/69/662794969.db2.gz OWJRBSZMFKWJQE-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000910738899 663132337 /nfs/dbraw/zinc/13/23/37/663132337.db2.gz ZWRVNAMUUCALHE-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000910738899 663132339 /nfs/dbraw/zinc/13/23/39/663132339.db2.gz ZWRVNAMUUCALHE-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738899 663132340 /nfs/dbraw/zinc/13/23/40/663132340.db2.gz ZWRVNAMUUCALHE-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738899 663132342 /nfs/dbraw/zinc/13/23/42/663132342.db2.gz ZWRVNAMUUCALHE-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911029506 663136095 /nfs/dbraw/zinc/13/60/95/663136095.db2.gz CLFSOHBURIDUBO-XJKSGUPXSA-N 2 1 323.441 -1.297 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911072703 663136714 /nfs/dbraw/zinc/13/67/14/663136714.db2.gz NDDWIBUIRCVZGQ-WCQYABFASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911147445 663137501 /nfs/dbraw/zinc/13/75/01/663137501.db2.gz HTJAZGNVYIGXSZ-FVCCEPFGSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911148678 663137538 /nfs/dbraw/zinc/13/75/38/663137538.db2.gz ZSIBYFUOAUOQIB-AXAPSJFSSA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000911148929 663137595 /nfs/dbraw/zinc/13/75/95/663137595.db2.gz SYSUEHMUCAEKTH-AVGNSLFASA-N 2 1 310.398 -1.085 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911147810 663137706 /nfs/dbraw/zinc/13/77/06/663137706.db2.gz JQZFDONIBOBSID-IKOXMDCHSA-N 2 1 322.409 -1.025 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911156161 663138070 /nfs/dbraw/zinc/13/80/70/663138070.db2.gz NGARQQFAXKCAHW-NSHDSACASA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000911163530 663138196 /nfs/dbraw/zinc/13/81/96/663138196.db2.gz WHSVFRSIGGASPC-MLGHIDQZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163530 663138198 /nfs/dbraw/zinc/13/81/98/663138198.db2.gz WHSVFRSIGGASPC-MLGHIDQZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000911163535 663138351 /nfs/dbraw/zinc/13/83/51/663138351.db2.gz WHSVFRSIGGASPC-UJPOAAIJSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000911163535 663138354 /nfs/dbraw/zinc/13/83/54/663138354.db2.gz WHSVFRSIGGASPC-UJPOAAIJSA-N 2 1 310.398 -1.169 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911154492 663138363 /nfs/dbraw/zinc/13/83/63/663138363.db2.gz BPENVXZALJTGQW-LBPRGKRZSA-N 2 1 300.403 -1.122 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911155778 663138408 /nfs/dbraw/zinc/13/84/08/663138408.db2.gz LLQWVCLUUCYSMJ-LLVKDONJSA-N 2 1 300.403 -1.205 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911154491 663138482 /nfs/dbraw/zinc/13/84/82/663138482.db2.gz BPENVXZALJTGQW-GFCCVEGCSA-N 2 1 300.403 -1.122 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000911185674 663138574 /nfs/dbraw/zinc/13/85/74/663138574.db2.gz BLRNZLZOQIBTMK-HNNXBMFYSA-N 2 1 312.414 -1.101 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911174505 663138734 /nfs/dbraw/zinc/13/87/34/663138734.db2.gz CUDSXOQPLOPQGV-HAQNSBGRSA-N 2 1 300.403 -1.076 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236413 663139238 /nfs/dbraw/zinc/13/92/38/663139238.db2.gz QQYODCZZPCWJIR-FRRDWIJNSA-N 2 1 312.414 -1.205 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[N@@H+](C)C1CC1 ZINC000911206588 663139293 /nfs/dbraw/zinc/13/92/93/663139293.db2.gz QPJZREFALSFKQV-ABAIWWIYSA-N 2 1 312.414 -1.103 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911239892 663139569 /nfs/dbraw/zinc/13/95/69/663139569.db2.gz FKLBSGNDMGPNDT-VXGBXAGGSA-N 2 1 312.414 -1.063 20 0 DAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911269548 663140209 /nfs/dbraw/zinc/14/02/09/663140209.db2.gz LMMMQVSTRSSUHI-KBPBESRZSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911223682 663140641 /nfs/dbraw/zinc/14/06/41/663140641.db2.gz RHIJYMOUYQLIOY-CQSZACIVSA-N 2 1 323.441 -1.392 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911275062 663140690 /nfs/dbraw/zinc/14/06/90/663140690.db2.gz UJQODLIBDZVQBK-FRRDWIJNSA-N 2 1 310.398 -1.478 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911327308 663141387 /nfs/dbraw/zinc/14/13/87/663141387.db2.gz UJQODLIBDZVQBK-AVGNSLFASA-N 2 1 310.398 -1.478 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@]2(C)C1 ZINC000911348176 663142897 /nfs/dbraw/zinc/14/28/97/663142897.db2.gz OCWVJNILCZQGHD-DOMZBBRYSA-N 2 1 312.414 -1.122 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911339353 663142907 /nfs/dbraw/zinc/14/29/07/663142907.db2.gz VPCDOHWVSJPDMB-YNEHKIRRSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911390311 663143669 /nfs/dbraw/zinc/14/36/69/663143669.db2.gz ZFUWVVHZTORLJO-YIYPIFLZSA-N 2 1 324.425 -1.374 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911375157 663143742 /nfs/dbraw/zinc/14/37/42/663143742.db2.gz QHGZWFQFGYXSOS-MGPQQGTHSA-N 2 1 324.425 -1.109 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000911504831 663147535 /nfs/dbraw/zinc/14/75/35/663147535.db2.gz NOMVMRFRPRGJBH-LLVKDONJSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000911504831 663147536 /nfs/dbraw/zinc/14/75/36/663147536.db2.gz NOMVMRFRPRGJBH-LLVKDONJSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1=O ZINC000911871729 663151262 /nfs/dbraw/zinc/15/12/62/663151262.db2.gz GSRDQGAJPKCMBO-IUODEOHRSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1=O ZINC000911871729 663151267 /nfs/dbraw/zinc/15/12/67/663151267.db2.gz GSRDQGAJPKCMBO-IUODEOHRSA-N 2 1 312.414 -1.326 20 0 DAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912606835 663153795 /nfs/dbraw/zinc/15/37/95/663153795.db2.gz YOQPTRJJFXZIKE-CYBMUJFWSA-N 2 1 314.430 -1.221 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913196015 663156317 /nfs/dbraw/zinc/15/63/17/663156317.db2.gz KKTHLFZWBQUPAV-HNNXBMFYSA-N 2 1 315.414 -1.188 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000991709056 663183933 /nfs/dbraw/zinc/18/39/33/663183933.db2.gz JJDBWCBLEYGQCR-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000991709056 663183935 /nfs/dbraw/zinc/18/39/35/663183935.db2.gz JJDBWCBLEYGQCR-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713950 663184727 /nfs/dbraw/zinc/18/47/27/663184727.db2.gz XAUFGEOEFCVXSS-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713950 663184730 /nfs/dbraw/zinc/18/47/30/663184730.db2.gz XAUFGEOEFCVXSS-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991713950 663184734 /nfs/dbraw/zinc/18/47/34/663184734.db2.gz XAUFGEOEFCVXSS-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991713950 663184736 /nfs/dbraw/zinc/18/47/36/663184736.db2.gz XAUFGEOEFCVXSS-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713945 663184893 /nfs/dbraw/zinc/18/48/93/663184893.db2.gz XAUFGEOEFCVXSS-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713945 663184894 /nfs/dbraw/zinc/18/48/94/663184894.db2.gz XAUFGEOEFCVXSS-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991713945 663184896 /nfs/dbraw/zinc/18/48/96/663184896.db2.gz XAUFGEOEFCVXSS-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991713945 663184897 /nfs/dbraw/zinc/18/48/97/663184897.db2.gz XAUFGEOEFCVXSS-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915906 663238285 /nfs/dbraw/zinc/23/82/85/663238285.db2.gz SBLANKNWEMWLMS-UPJWGTAASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915906 663238290 /nfs/dbraw/zinc/23/82/90/663238290.db2.gz SBLANKNWEMWLMS-UPJWGTAASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000913915906 663238297 /nfs/dbraw/zinc/23/82/97/663238297.db2.gz SBLANKNWEMWLMS-UPJWGTAASA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000994845616 663323231 /nfs/dbraw/zinc/32/32/31/663323231.db2.gz RBAFVCPEFSERIV-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000994845616 663323237 /nfs/dbraw/zinc/32/32/37/663323237.db2.gz RBAFVCPEFSERIV-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000994845616 663323243 /nfs/dbraw/zinc/32/32/43/663323243.db2.gz RBAFVCPEFSERIV-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000994845616 663323248 /nfs/dbraw/zinc/32/32/48/663323248.db2.gz RBAFVCPEFSERIV-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032129974 663441890 /nfs/dbraw/zinc/44/18/90/663441890.db2.gz CBHSHDHUTFAQLG-GFCCVEGCSA-N 2 1 320.393 -1.065 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432883 663486896 /nfs/dbraw/zinc/48/68/96/663486896.db2.gz FVXITNYDAFDWAH-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432883 663486899 /nfs/dbraw/zinc/48/68/99/663486899.db2.gz FVXITNYDAFDWAH-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000996432883 663486901 /nfs/dbraw/zinc/48/69/01/663486901.db2.gz FVXITNYDAFDWAH-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000996432883 663486903 /nfs/dbraw/zinc/48/69/03/663486903.db2.gz FVXITNYDAFDWAH-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996671509 663490503 /nfs/dbraw/zinc/49/05/03/663490503.db2.gz OOHRBHXMQAMWSY-CYBMUJFWSA-N 2 1 322.413 -1.121 20 0 DAADMP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999765533 663563160 /nfs/dbraw/zinc/56/31/60/663563160.db2.gz PAFCVKBOPNRTMO-LGESCRJUSA-N 2 1 322.409 -1.085 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001001311360 663600496 /nfs/dbraw/zinc/60/04/96/663600496.db2.gz PAVSKSWTDVTMAM-AWEZNQCLSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001001311360 663600502 /nfs/dbraw/zinc/60/05/02/663600502.db2.gz PAVSKSWTDVTMAM-AWEZNQCLSA-N 2 1 324.425 -1.013 20 0 DAADMP NC(=O)CN1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876244 663619641 /nfs/dbraw/zinc/61/96/41/663619641.db2.gz TUUBOWGGIWLSFK-QWHCGFSZSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876244 663619644 /nfs/dbraw/zinc/61/96/44/663619644.db2.gz TUUBOWGGIWLSFK-QWHCGFSZSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876241 663620111 /nfs/dbraw/zinc/62/01/11/663620111.db2.gz TUUBOWGGIWLSFK-OLZOCXBDSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876241 663620118 /nfs/dbraw/zinc/62/01/18/663620118.db2.gz TUUBOWGGIWLSFK-OLZOCXBDSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876246 663620214 /nfs/dbraw/zinc/62/02/14/663620214.db2.gz TUUBOWGGIWLSFK-STQMWFEESA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876246 663620221 /nfs/dbraw/zinc/62/02/21/663620221.db2.gz TUUBOWGGIWLSFK-STQMWFEESA-N 2 1 310.398 -1.085 20 0 DAADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1)CCOCCO ZINC000922110928 663621928 /nfs/dbraw/zinc/62/19/28/663621928.db2.gz SJKGWIAQUOEJPN-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)CCOCCO ZINC000922110928 663621933 /nfs/dbraw/zinc/62/19/33/663621933.db2.gz SJKGWIAQUOEJPN-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)CCOCCO ZINC000922110928 663621936 /nfs/dbraw/zinc/62/19/36/663621936.db2.gz SJKGWIAQUOEJPN-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110929 663622450 /nfs/dbraw/zinc/62/24/50/663622450.db2.gz SJKGWIAQUOEJPN-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110929 663622456 /nfs/dbraw/zinc/62/24/56/663622456.db2.gz SJKGWIAQUOEJPN-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)CCOCCO ZINC000922110929 663622457 /nfs/dbraw/zinc/62/24/57/663622457.db2.gz SJKGWIAQUOEJPN-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000923354387 663696714 /nfs/dbraw/zinc/69/67/14/663696714.db2.gz TUZXIDKQWWLCDB-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842163898 663877138 /nfs/dbraw/zinc/87/71/38/663877138.db2.gz ALCMVLBGMGVJHQ-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842163902 663877277 /nfs/dbraw/zinc/87/72/77/663877277.db2.gz ALCMVLBGMGVJHQ-YNEHKIRRSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848616666 663892159 /nfs/dbraw/zinc/89/21/59/663892159.db2.gz QMTWJYNQSXWVJJ-STQMWFEESA-N 2 1 312.414 -1.101 20 0 DAADMP NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000849012976 663893298 /nfs/dbraw/zinc/89/32/98/663893298.db2.gz CKRPFHQWIACDMT-NWDGAFQWSA-N 2 1 313.402 -1.144 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851685812 663896350 /nfs/dbraw/zinc/89/63/50/663896350.db2.gz WFHMPKAPXHIJLX-WULFKBJJSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852863579 663898579 /nfs/dbraw/zinc/89/85/79/663898579.db2.gz GZTRUNQMFZGJOP-WDEREUQCSA-N 2 1 311.386 -1.206 20 0 DAADMP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)=NO1 ZINC000852876601 663899250 /nfs/dbraw/zinc/89/92/50/663899250.db2.gz MOIRGDHIWFPMCN-QWRGUYRKSA-N 2 1 309.370 -1.487 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000861750776 663917967 /nfs/dbraw/zinc/91/79/67/663917967.db2.gz BZLZAWOXWDNIPO-NWDGAFQWSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861756029 663918925 /nfs/dbraw/zinc/91/89/25/663918925.db2.gz SLSAPURVKXFPGA-QNWHQSFQSA-N 2 1 310.398 -1.168 20 0 DAADMP Cn1nnnc1CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866661395 663932078 /nfs/dbraw/zinc/93/20/78/663932078.db2.gz ITNUSZGMFIBONH-GFCCVEGCSA-N 2 1 307.402 -1.104 20 0 DAADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000868419066 663934290 /nfs/dbraw/zinc/93/42/90/663934290.db2.gz UJKSOSVKVFCCNB-RFQIPJPRSA-N 2 1 322.409 -1.383 20 0 DAADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232933 663939419 /nfs/dbraw/zinc/93/94/19/663939419.db2.gz JUDYVAAPSHPDQH-ZFWWWQNUSA-N 2 1 313.398 -1.341 20 0 DAADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232933 663939424 /nfs/dbraw/zinc/93/94/24/663939424.db2.gz JUDYVAAPSHPDQH-ZFWWWQNUSA-N 2 1 313.398 -1.341 20 0 DAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876725271 663947289 /nfs/dbraw/zinc/94/72/89/663947289.db2.gz HRXXXTAIHDLDTD-ZDUSSCGKSA-N 2 1 313.446 -1.018 20 0 DAADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000876743290 663947594 /nfs/dbraw/zinc/94/75/94/663947594.db2.gz BBLXGONGXQYYFK-YDHLFZDLSA-N 2 1 313.398 -1.029 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C ZINC000876902228 663948393 /nfs/dbraw/zinc/94/83/93/663948393.db2.gz CEJOKAQVVRFPRC-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C ZINC000876902228 663948413 /nfs/dbraw/zinc/94/84/13/663948413.db2.gz CEJOKAQVVRFPRC-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876886242 663948544 /nfs/dbraw/zinc/94/85/44/663948544.db2.gz SNOZRUACQIVLOX-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP [NH3+][C@@H](CC1CC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884344674 663963802 /nfs/dbraw/zinc/96/38/02/663963802.db2.gz MQXGCYMJHPYUIQ-LBPRGKRZSA-N 2 1 316.427 -1.440 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884559986 663964478 /nfs/dbraw/zinc/96/44/78/663964478.db2.gz KNGKSMSRYYIUNC-VOAKCMCISA-N 2 1 310.398 -1.086 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000884571208 663964559 /nfs/dbraw/zinc/96/45/59/663964559.db2.gz JTQQWNPTNQDZHM-RVMXOQNASA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571208 663964562 /nfs/dbraw/zinc/96/45/62/663964562.db2.gz JTQQWNPTNQDZHM-RVMXOQNASA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884559988 663964850 /nfs/dbraw/zinc/96/48/50/663964850.db2.gz KNGKSMSRYYIUNC-YVECIDJPSA-N 2 1 310.398 -1.086 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884560354 663964863 /nfs/dbraw/zinc/96/48/63/663964863.db2.gz VOTVVUSGUCXIBE-CYDGBPFRSA-N 2 1 308.382 -1.462 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571795 663965061 /nfs/dbraw/zinc/96/50/61/663965061.db2.gz YEYQFQKZSUMGPO-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571795 663965069 /nfs/dbraw/zinc/96/50/69/663965069.db2.gz YEYQFQKZSUMGPO-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884652165 663965596 /nfs/dbraw/zinc/96/55/96/663965596.db2.gz LMNILCYKQJLAKL-BETUJISGSA-N 2 1 310.398 -1.212 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000884642749 663965964 /nfs/dbraw/zinc/96/59/64/663965964.db2.gz QHQXNPFUMHYUGT-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000884725397 663966929 /nfs/dbraw/zinc/96/69/29/663966929.db2.gz IKWHWFYNKBGIJM-JHJVBQTASA-N 2 1 310.398 -1.356 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884812752 663967681 /nfs/dbraw/zinc/96/76/81/663967681.db2.gz ZIXXPUZPZCGXQQ-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887070772 663976027 /nfs/dbraw/zinc/97/60/27/663976027.db2.gz SPGGHHJNUSKYPN-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926331111 663982112 /nfs/dbraw/zinc/98/21/12/663982112.db2.gz GEOSLARVQXSPCE-YVECIDJPSA-N 2 1 312.414 -1.295 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926331111 663982118 /nfs/dbraw/zinc/98/21/18/663982118.db2.gz GEOSLARVQXSPCE-YVECIDJPSA-N 2 1 312.414 -1.295 20 0 DAADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926334222 663982442 /nfs/dbraw/zinc/98/24/42/663982442.db2.gz RUOOHBPOUTVBCW-CYBMUJFWSA-N 2 1 311.430 -1.582 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000926385916 663983607 /nfs/dbraw/zinc/98/36/07/663983607.db2.gz AQQVHPKOSDPVMD-YIYPIFLZSA-N 2 1 324.425 -1.293 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000926355270 663983700 /nfs/dbraw/zinc/98/37/00/663983700.db2.gz FBFLXWWOAIFATO-HZSPNIEDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000926385911 663983733 /nfs/dbraw/zinc/98/37/33/663983733.db2.gz AQQVHPKOSDPVMD-RFQIPJPRSA-N 2 1 324.425 -1.293 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@H]21 ZINC000926396546 663983942 /nfs/dbraw/zinc/98/39/42/663983942.db2.gz MHNWWELLPFVLBC-IOASZLSFSA-N 2 1 324.425 -1.149 20 0 DAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1 ZINC000926411280 663984224 /nfs/dbraw/zinc/98/42/24/663984224.db2.gz CWOOAZRFPOUWRC-JKSUJKDBSA-N 2 1 324.425 -1.147 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400119 663984227 /nfs/dbraw/zinc/98/42/27/663984227.db2.gz GMWLSJWNYUCODD-QNWHQSFQSA-N 2 1 310.398 -1.622 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400121 663984245 /nfs/dbraw/zinc/98/42/45/663984245.db2.gz GMWLSJWNYUCODD-UMSGYPCISA-N 2 1 310.398 -1.622 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926440523 663984516 /nfs/dbraw/zinc/98/45/16/663984516.db2.gz SAGICOQKJRMQHN-IOASZLSFSA-N 2 1 324.425 -1.088 20 0 DAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[N@@H+](C)C1 ZINC000926421080 663984617 /nfs/dbraw/zinc/98/46/17/663984617.db2.gz VZXPFKIJOMOHOF-MROQNXINSA-N 2 1 312.414 -1.031 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@@H]21 ZINC000926396544 663984717 /nfs/dbraw/zinc/98/47/17/663984717.db2.gz MHNWWELLPFVLBC-DVOMOZLQSA-N 2 1 324.425 -1.149 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929313392 663988160 /nfs/dbraw/zinc/98/81/60/663988160.db2.gz WXGNBBLNAAMDJD-IBEHDNSVSA-N 3 1 321.469 -1.207 20 0 DAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882027 663988547 /nfs/dbraw/zinc/98/85/47/663988547.db2.gz POQHVHWPTJAWMQ-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882027 663988550 /nfs/dbraw/zinc/98/85/50/663988550.db2.gz POQHVHWPTJAWMQ-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882027 663988555 /nfs/dbraw/zinc/98/85/55/663988555.db2.gz POQHVHWPTJAWMQ-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882027 663988561 /nfs/dbraw/zinc/98/85/61/663988561.db2.gz POQHVHWPTJAWMQ-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931880274 663996202 /nfs/dbraw/zinc/99/62/02/663996202.db2.gz ZEPHEPQSNACYJX-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931880274 663996204 /nfs/dbraw/zinc/99/62/04/663996204.db2.gz ZEPHEPQSNACYJX-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000931885021 663997330 /nfs/dbraw/zinc/99/73/30/663997330.db2.gz BRQYQPPAZOSRHN-ZIAGYGMSSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000931885021 663997333 /nfs/dbraw/zinc/99/73/33/663997333.db2.gz BRQYQPPAZOSRHN-ZIAGYGMSSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931885021 663997339 /nfs/dbraw/zinc/99/73/39/663997339.db2.gz BRQYQPPAZOSRHN-ZIAGYGMSSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931885021 663997344 /nfs/dbraw/zinc/99/73/44/663997344.db2.gz BRQYQPPAZOSRHN-ZIAGYGMSSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000931889278 663997411 /nfs/dbraw/zinc/99/74/11/663997411.db2.gz FRVKJTSIGSMJDH-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000931889278 663997413 /nfs/dbraw/zinc/99/74/13/663997413.db2.gz FRVKJTSIGSMJDH-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931889278 663997415 /nfs/dbraw/zinc/99/74/15/663997415.db2.gz FRVKJTSIGSMJDH-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931889278 663997416 /nfs/dbraw/zinc/99/74/16/663997416.db2.gz FRVKJTSIGSMJDH-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214952 664247634 /nfs/dbraw/zinc/24/76/34/664247634.db2.gz PMDMZYYUZCLAAN-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214952 664247636 /nfs/dbraw/zinc/24/76/36/664247636.db2.gz PMDMZYYUZCLAAN-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214466 664247743 /nfs/dbraw/zinc/24/77/43/664247743.db2.gz IARQRAYCXVOGHR-NEPJUHHUSA-N 2 1 310.398 -1.491 20 0 DAADMP NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214466 664247746 /nfs/dbraw/zinc/24/77/46/664247746.db2.gz IARQRAYCXVOGHR-NEPJUHHUSA-N 2 1 310.398 -1.491 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214951 664247890 /nfs/dbraw/zinc/24/78/90/664247890.db2.gz PMDMZYYUZCLAAN-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214951 664247893 /nfs/dbraw/zinc/24/78/93/664247893.db2.gz PMDMZYYUZCLAAN-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560192 664379106 /nfs/dbraw/zinc/37/91/06/664379106.db2.gz ZJOKSVUIODPOHX-OZTPJHRESA-N 2 1 320.393 -1.066 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963382550 664390099 /nfs/dbraw/zinc/39/00/99/664390099.db2.gz JGZNKUHTJWEVRW-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963512811 664392079 /nfs/dbraw/zinc/39/20/79/664392079.db2.gz AAHQGGAZQNNAST-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000968300637 664474058 /nfs/dbraw/zinc/47/40/58/664474058.db2.gz IBNBHNQGOFJSBK-CHWSQXEVSA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000968300637 664474064 /nfs/dbraw/zinc/47/40/64/664474064.db2.gz IBNBHNQGOFJSBK-CHWSQXEVSA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250810 664572709 /nfs/dbraw/zinc/57/27/09/664572709.db2.gz QXESPRPRPQHYHN-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250810 664572712 /nfs/dbraw/zinc/57/27/12/664572712.db2.gz QXESPRPRPQHYHN-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250810 664572715 /nfs/dbraw/zinc/57/27/15/664572715.db2.gz QXESPRPRPQHYHN-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250815 664573013 /nfs/dbraw/zinc/57/30/13/664573013.db2.gz QXESPRPRPQHYHN-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250815 664573015 /nfs/dbraw/zinc/57/30/15/664573015.db2.gz QXESPRPRPQHYHN-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250815 664573016 /nfs/dbraw/zinc/57/30/16/664573016.db2.gz QXESPRPRPQHYHN-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001018664728 664588899 /nfs/dbraw/zinc/58/88/99/664588899.db2.gz IBNBHNQGOFJSBK-QWHCGFSZSA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001018664728 664588902 /nfs/dbraw/zinc/58/89/02/664588902.db2.gz IBNBHNQGOFJSBK-QWHCGFSZSA-N 2 1 308.386 -1.201 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019518528 664601666 /nfs/dbraw/zinc/60/16/66/664601666.db2.gz RIFFQIVXILODNY-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045937 664608122 /nfs/dbraw/zinc/60/81/22/664608122.db2.gz PQMAVPXEDZPTMV-ZDEQEGDKSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045937 664608125 /nfs/dbraw/zinc/60/81/25/664608125.db2.gz PQMAVPXEDZPTMV-ZDEQEGDKSA-N 2 1 310.398 -1.216 20 0 DAADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C1C[NH+](C2CCOCC2)C1 ZINC000913178190 677822608 /nfs/dbraw/zinc/82/26/08/677822608.db2.gz DMOBXNJNWPOPIB-OAHLLOKOSA-N 2 1 313.398 -1.436 20 0 DAADMP O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083291040 677686682 /nfs/dbraw/zinc/68/66/82/677686682.db2.gz KZJIGYOYELCJFL-FRRDWIJNSA-N 2 1 319.365 -1.317 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654913 677819245 /nfs/dbraw/zinc/81/92/45/677819245.db2.gz MFIXXKVQAPVAJF-DPWYMPPLSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654913 677819248 /nfs/dbraw/zinc/81/92/48/677819248.db2.gz MFIXXKVQAPVAJF-DPWYMPPLSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654913 677819251 /nfs/dbraw/zinc/81/92/51/677819251.db2.gz MFIXXKVQAPVAJF-DPWYMPPLSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654913 677819256 /nfs/dbraw/zinc/81/92/56/677819256.db2.gz MFIXXKVQAPVAJF-DPWYMPPLSA-N 2 1 311.382 -1.997 20 0 DAADMP Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)CC2 ZINC001083733773 677851031 /nfs/dbraw/zinc/85/10/31/677851031.db2.gz CXJKMSCWMPPNKO-BNOWGMLFSA-N 2 1 308.382 -1.092 20 0 DAADMP Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)CC2 ZINC001083733774 677851229 /nfs/dbraw/zinc/85/12/29/677851229.db2.gz CXJKMSCWMPPNKO-YUTCNCBUSA-N 2 1 308.382 -1.092 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC001077818511 677883645 /nfs/dbraw/zinc/88/36/45/677883645.db2.gz ZHRZGPMGZJWXCQ-CHWSQXEVSA-N 2 1 311.386 -1.788 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001077818511 677883649 /nfs/dbraw/zinc/88/36/49/677883649.db2.gz ZHRZGPMGZJWXCQ-CHWSQXEVSA-N 2 1 311.386 -1.788 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999352191 677890529 /nfs/dbraw/zinc/89/05/29/677890529.db2.gz IZIXENIQYGIAOS-QWHCGFSZSA-N 2 1 322.413 -1.121 20 0 DAADMP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848340 678107608 /nfs/dbraw/zinc/10/76/08/678107608.db2.gz ZQBGVMLXRIYATG-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848340 678107609 /nfs/dbraw/zinc/10/76/09/678107609.db2.gz ZQBGVMLXRIYATG-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848340 678107611 /nfs/dbraw/zinc/10/76/11/678107611.db2.gz ZQBGVMLXRIYATG-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848340 678107612 /nfs/dbraw/zinc/10/76/12/678107612.db2.gz ZQBGVMLXRIYATG-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082919679 678120179 /nfs/dbraw/zinc/12/01/79/678120179.db2.gz AKPRHDFRYIWTST-GRYCIOLGSA-N 2 1 322.413 -1.003 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082919680 678120223 /nfs/dbraw/zinc/12/02/23/678120223.db2.gz AKPRHDFRYIWTST-IJLUTSLNSA-N 2 1 322.413 -1.003 20 0 DAADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760979 678163540 /nfs/dbraw/zinc/16/35/40/678163540.db2.gz XJHZGHIUEFIAPA-QWHCGFSZSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760979 678163542 /nfs/dbraw/zinc/16/35/42/678163542.db2.gz XJHZGHIUEFIAPA-QWHCGFSZSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760979 678163543 /nfs/dbraw/zinc/16/35/43/678163543.db2.gz XJHZGHIUEFIAPA-QWHCGFSZSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760979 678163545 /nfs/dbraw/zinc/16/35/45/678163545.db2.gz XJHZGHIUEFIAPA-QWHCGFSZSA-N 2 1 322.409 -1.131 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896323 678182835 /nfs/dbraw/zinc/18/28/35/678182835.db2.gz PUQRQXOXAWKZEU-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896323 678182837 /nfs/dbraw/zinc/18/28/37/678182837.db2.gz PUQRQXOXAWKZEU-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073896323 678182839 /nfs/dbraw/zinc/18/28/39/678182839.db2.gz PUQRQXOXAWKZEU-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896323 678182840 /nfs/dbraw/zinc/18/28/40/678182840.db2.gz PUQRQXOXAWKZEU-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042104902 678315988 /nfs/dbraw/zinc/31/59/88/678315988.db2.gz UHBYMRAEXJHOGG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001042104902 678315992 /nfs/dbraw/zinc/31/59/92/678315992.db2.gz UHBYMRAEXJHOGG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001042104902 678315995 /nfs/dbraw/zinc/31/59/95/678315995.db2.gz UHBYMRAEXJHOGG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042104903 678316183 /nfs/dbraw/zinc/31/61/83/678316183.db2.gz UHBYMRAEXJHOGG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001042104903 678316188 /nfs/dbraw/zinc/31/61/88/678316188.db2.gz UHBYMRAEXJHOGG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001042104903 678316191 /nfs/dbraw/zinc/31/61/91/678316191.db2.gz UHBYMRAEXJHOGG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042104905 678316263 /nfs/dbraw/zinc/31/62/63/678316263.db2.gz UHBYMRAEXJHOGG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001042104905 678316266 /nfs/dbraw/zinc/31/62/66/678316266.db2.gz UHBYMRAEXJHOGG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001042104905 678316271 /nfs/dbraw/zinc/31/62/71/678316271.db2.gz UHBYMRAEXJHOGG-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043114755 678365135 /nfs/dbraw/zinc/36/51/35/678365135.db2.gz ARVHYKZYVHALTG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001043114755 678365138 /nfs/dbraw/zinc/36/51/38/678365138.db2.gz ARVHYKZYVHALTG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001043114755 678365144 /nfs/dbraw/zinc/36/51/44/678365144.db2.gz ARVHYKZYVHALTG-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001043118584 678366140 /nfs/dbraw/zinc/36/61/40/678366140.db2.gz HTVFOQBUFBUWGP-ZDUSSCGKSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043126767 678367506 /nfs/dbraw/zinc/36/75/06/678367506.db2.gz CXBVTMHLWNIOAX-ZDUSSCGKSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045713941 678469964 /nfs/dbraw/zinc/46/99/64/678469964.db2.gz SIXJZDIEYPPOID-GFCCVEGCSA-N 2 1 312.414 -1.421 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081655 678477223 /nfs/dbraw/zinc/47/72/23/678477223.db2.gz HSHNYHZKCADKOB-KBPBESRZSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081655 678477224 /nfs/dbraw/zinc/47/72/24/678477224.db2.gz HSHNYHZKCADKOB-KBPBESRZSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046081655 678477226 /nfs/dbraw/zinc/47/72/26/678477226.db2.gz HSHNYHZKCADKOB-KBPBESRZSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046081655 678477230 /nfs/dbraw/zinc/47/72/30/678477230.db2.gz HSHNYHZKCADKOB-KBPBESRZSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081656 678477237 /nfs/dbraw/zinc/47/72/37/678477237.db2.gz HSHNYHZKCADKOB-KGLIPLIRSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081656 678477239 /nfs/dbraw/zinc/47/72/39/678477239.db2.gz HSHNYHZKCADKOB-KGLIPLIRSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046081656 678477242 /nfs/dbraw/zinc/47/72/42/678477242.db2.gz HSHNYHZKCADKOB-KGLIPLIRSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046081656 678477245 /nfs/dbraw/zinc/47/72/45/678477245.db2.gz HSHNYHZKCADKOB-KGLIPLIRSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081658 678477655 /nfs/dbraw/zinc/47/76/55/678477655.db2.gz HSHNYHZKCADKOB-ZIAGYGMSSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081658 678477658 /nfs/dbraw/zinc/47/76/58/678477658.db2.gz HSHNYHZKCADKOB-ZIAGYGMSSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046081658 678477660 /nfs/dbraw/zinc/47/76/60/678477660.db2.gz HSHNYHZKCADKOB-ZIAGYGMSSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046081658 678477663 /nfs/dbraw/zinc/47/76/63/678477663.db2.gz HSHNYHZKCADKOB-ZIAGYGMSSA-N 2 1 323.441 -1.358 20 0 DAADMP C[C@]1(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1 ZINC001046501144 678483595 /nfs/dbraw/zinc/48/35/95/678483595.db2.gz KQTPFKRSENTZJL-MJVOBMLWSA-N 2 1 322.409 -1.085 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116715 678574307 /nfs/dbraw/zinc/57/43/07/678574307.db2.gz ZAIVYZLULNLOTA-OKILXGFUSA-N 2 1 324.425 -1.155 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116715 678574309 /nfs/dbraw/zinc/57/43/09/678574309.db2.gz ZAIVYZLULNLOTA-OKILXGFUSA-N 2 1 324.425 -1.155 20 0 DAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212102 678699818 /nfs/dbraw/zinc/69/98/18/678699818.db2.gz IURRZMPKLCCSKN-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051714363 678767421 /nfs/dbraw/zinc/76/74/21/678767421.db2.gz FPDNZONGWIDNQO-CHWSQXEVSA-N 2 1 321.381 -1.103 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051933201 678779939 /nfs/dbraw/zinc/77/99/39/678779939.db2.gz FVRZDTUQNXNIIU-QWHCGFSZSA-N 2 1 321.381 -1.103 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051930241 678780034 /nfs/dbraw/zinc/78/00/34/678780034.db2.gz KIDOWLSWTHLZDC-RYUDHWBXSA-N 2 1 323.401 -1.521 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930241 678780039 /nfs/dbraw/zinc/78/00/39/678780039.db2.gz KIDOWLSWTHLZDC-RYUDHWBXSA-N 2 1 323.401 -1.521 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097557 678854854 /nfs/dbraw/zinc/85/48/54/678854854.db2.gz ZTQNVNPCTONDSN-XQQFMLRXSA-N 2 1 308.386 -1.436 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097557 678854857 /nfs/dbraw/zinc/85/48/57/678854857.db2.gz ZTQNVNPCTONDSN-XQQFMLRXSA-N 2 1 308.386 -1.436 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097557 678854860 /nfs/dbraw/zinc/85/48/60/678854860.db2.gz ZTQNVNPCTONDSN-XQQFMLRXSA-N 2 1 308.386 -1.436 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097557 678854863 /nfs/dbraw/zinc/85/48/63/678854863.db2.gz ZTQNVNPCTONDSN-XQQFMLRXSA-N 2 1 308.386 -1.436 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070165146 678857430 /nfs/dbraw/zinc/85/74/30/678857430.db2.gz FWGOLWDUCVCOGQ-AGIUHOORSA-N 2 1 324.385 -2.058 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070165146 678857435 /nfs/dbraw/zinc/85/74/35/678857435.db2.gz FWGOLWDUCVCOGQ-AGIUHOORSA-N 2 1 324.385 -2.058 20 0 DAADMP CN(C)C(=O)CC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273838706 782201654 /nfs/dbraw/zinc/20/16/54/782201654.db2.gz XTOPJBNHEZZWLI-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001273910065 782222014 /nfs/dbraw/zinc/22/20/14/782222014.db2.gz MDSQHQSAFSZLEH-WZQADMAKSA-N 2 1 311.386 -1.074 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060222 782227193 /nfs/dbraw/zinc/22/71/93/782227193.db2.gz VPWCFNZKPTXTIS-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202109840 782228641 /nfs/dbraw/zinc/22/86/41/782228641.db2.gz RJPJZDGCWSGNLB-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202109840 782228644 /nfs/dbraw/zinc/22/86/44/782228644.db2.gz RJPJZDGCWSGNLB-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202109837 782228733 /nfs/dbraw/zinc/22/87/33/782228733.db2.gz RJPJZDGCWSGNLB-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202109837 782228740 /nfs/dbraw/zinc/22/87/40/782228740.db2.gz RJPJZDGCWSGNLB-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001273926981 782228812 /nfs/dbraw/zinc/22/88/12/782228812.db2.gz APRHLBCQXAZIPU-JXLSXLBDSA-N 2 1 310.398 -1.190 20 0 DAADMP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001273926981 782228821 /nfs/dbraw/zinc/22/88/21/782228821.db2.gz APRHLBCQXAZIPU-JXLSXLBDSA-N 2 1 310.398 -1.190 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202109839 782228992 /nfs/dbraw/zinc/22/89/92/782228992.db2.gz RJPJZDGCWSGNLB-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001202109839 782228996 /nfs/dbraw/zinc/22/89/96/782228996.db2.gz RJPJZDGCWSGNLB-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114403449 782245505 /nfs/dbraw/zinc/24/55/05/782245505.db2.gz SGZMOYYVDARKFV-RFQIPJPRSA-N 2 1 307.398 -1.148 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114403449 782245511 /nfs/dbraw/zinc/24/55/11/782245511.db2.gz SGZMOYYVDARKFV-RFQIPJPRSA-N 2 1 307.398 -1.148 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114464817 782250179 /nfs/dbraw/zinc/25/01/79/782250179.db2.gz YIUHCOWDJWPVRK-KLBPJQLPSA-N 2 1 311.386 -1.432 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114464817 782250184 /nfs/dbraw/zinc/25/01/84/782250184.db2.gz YIUHCOWDJWPVRK-KLBPJQLPSA-N 2 1 311.386 -1.432 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001274014501 782259431 /nfs/dbraw/zinc/25/94/31/782259431.db2.gz XSESDNNGUWKYIP-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCOCC2)C1 ZINC001274014501 782259438 /nfs/dbraw/zinc/25/94/38/782259438.db2.gz XSESDNNGUWKYIP-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274564631 782283617 /nfs/dbraw/zinc/28/36/17/782283617.db2.gz KMAQIBDQCUGWHP-GXTWGEPZSA-N 2 1 301.387 -1.796 20 0 DAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1cnc[nH]1 ZINC001275180021 782304035 /nfs/dbraw/zinc/30/40/35/782304035.db2.gz QTWBVXLXUKGYQQ-JTQLQIEISA-N 2 1 322.369 -1.012 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001111406912 782358371 /nfs/dbraw/zinc/35/83/71/782358371.db2.gz GRFXFLDEIFIEBN-KKOKHZNYSA-N 2 1 323.397 -1.146 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781742 782376896 /nfs/dbraw/zinc/37/68/96/782376896.db2.gz WNPYTYFUMZTZNL-UXCLJVHYSA-N 2 1 311.386 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781742 782376904 /nfs/dbraw/zinc/37/69/04/782376904.db2.gz WNPYTYFUMZTZNL-UXCLJVHYSA-N 2 1 311.386 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781740 782377214 /nfs/dbraw/zinc/37/72/14/782377214.db2.gz WNPYTYFUMZTZNL-SVDPJWKOSA-N 2 1 311.386 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781740 782377224 /nfs/dbraw/zinc/37/72/24/782377224.db2.gz WNPYTYFUMZTZNL-SVDPJWKOSA-N 2 1 311.386 -1.432 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114778307 782377297 /nfs/dbraw/zinc/37/72/97/782377297.db2.gz IKSJWNARKHNREF-BBGACYKPSA-N 2 1 308.382 -1.210 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCS(=O)(=O)C1 ZINC001254318292 782421663 /nfs/dbraw/zinc/42/16/63/782421663.db2.gz WBBOXDKAVBJVSQ-IUCAKERBSA-N 2 1 306.388 -1.432 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099975261 782518870 /nfs/dbraw/zinc/51/88/70/782518870.db2.gz ZVBFNTOBCSDELD-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100036366 782533508 /nfs/dbraw/zinc/53/35/08/782533508.db2.gz FLKVKTYXTLUFPC-UONOGXRCSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100036366 782533516 /nfs/dbraw/zinc/53/35/16/782533516.db2.gz FLKVKTYXTLUFPC-UONOGXRCSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100036963 782535387 /nfs/dbraw/zinc/53/53/87/782535387.db2.gz QFKGWRPQGDGUKC-STQMWFEESA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100036963 782535393 /nfs/dbraw/zinc/53/53/93/782535393.db2.gz QFKGWRPQGDGUKC-STQMWFEESA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100064267 782545403 /nfs/dbraw/zinc/54/54/03/782545403.db2.gz KPIQWPSNWVXQCS-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100064267 782545409 /nfs/dbraw/zinc/54/54/09/782545409.db2.gz KPIQWPSNWVXQCS-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100064267 782545416 /nfs/dbraw/zinc/54/54/16/782545416.db2.gz KPIQWPSNWVXQCS-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100073415 782547323 /nfs/dbraw/zinc/54/73/23/782547323.db2.gz CPJYQJHWXVIOLD-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211783 782564298 /nfs/dbraw/zinc/56/42/98/782564298.db2.gz AKNAGWBJJBLFEK-BPCQOVAHSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211783 782564307 /nfs/dbraw/zinc/56/43/07/782564307.db2.gz AKNAGWBJJBLFEK-BPCQOVAHSA-N 2 1 312.414 -1.110 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100989450 782588163 /nfs/dbraw/zinc/58/81/63/782588163.db2.gz ZIXQEVZRJGVOJR-UHFFFAOYSA-N 2 1 322.369 -1.129 20 0 DAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101432321 782595344 /nfs/dbraw/zinc/59/53/44/782595344.db2.gz LTWMKVJCMDYCBW-DOMZBBRYSA-N 2 1 312.414 -1.170 20 0 DAADMP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115125958 782643687 /nfs/dbraw/zinc/64/36/87/782643687.db2.gz FOBTUJIHTRMIEF-COMQUAJESA-N 2 1 324.425 -1.158 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115126371 782643863 /nfs/dbraw/zinc/64/38/63/782643863.db2.gz MXAIGXBNAJJZIU-COMQUAJESA-N 2 1 324.425 -1.110 20 0 DAADMP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115125960 782643919 /nfs/dbraw/zinc/64/39/19/782643919.db2.gz FOBTUJIHTRMIEF-SFDCQRBFSA-N 2 1 324.425 -1.158 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119426871 782752513 /nfs/dbraw/zinc/75/25/13/782752513.db2.gz AJDLCOCHLUYYMQ-HAQNSBGRSA-N 2 1 312.414 -1.245 20 0 DAADMP CNC(=O)CN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001266271725 775121261 /nfs/dbraw/zinc/12/12/61/775121261.db2.gz QAPLYVRYSIBVCJ-UHFFFAOYSA-N 2 1 313.446 -1.192 20 0 DAADMP [NH3+][C@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@H]1O ZINC001167093327 775130473 /nfs/dbraw/zinc/13/04/73/775130473.db2.gz TZDPERJEGYKKEW-CMPLNLGQSA-N 2 1 306.370 -1.575 20 0 DAADMP C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)Cc1cnc[nH]1 ZINC001266329614 775131819 /nfs/dbraw/zinc/13/18/19/775131819.db2.gz BFSFYRAKBHOCTM-UHFFFAOYSA-N 2 1 322.369 -1.058 20 0 DAADMP C[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)Cc1cnc[nH]1 ZINC001266329614 775131825 /nfs/dbraw/zinc/13/18/25/775131825.db2.gz BFSFYRAKBHOCTM-UHFFFAOYSA-N 2 1 322.369 -1.058 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266542293 775152886 /nfs/dbraw/zinc/15/28/86/775152886.db2.gz NNIDHNIPIXXSTJ-NWDGAFQWSA-N 2 1 318.443 -1.180 20 0 DAADMP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001282954921 775163832 /nfs/dbraw/zinc/16/38/32/775163832.db2.gz GBJUUKRWQHXVOJ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001282954921 775163843 /nfs/dbraw/zinc/16/38/43/775163843.db2.gz GBJUUKRWQHXVOJ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266667113 775168595 /nfs/dbraw/zinc/16/85/95/775168595.db2.gz QGINSUVCCJTAHX-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266667113 775168600 /nfs/dbraw/zinc/16/86/00/775168600.db2.gz QGINSUVCCJTAHX-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267474410 775245201 /nfs/dbraw/zinc/24/52/01/775245201.db2.gz RGZYDGOIQKYEMA-UHFFFAOYSA-N 2 1 313.402 -1.074 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105327125 775309452 /nfs/dbraw/zinc/30/94/52/775309452.db2.gz SZORKLAYHJLIRX-SMDDNHRTSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327125 775309462 /nfs/dbraw/zinc/30/94/62/775309462.db2.gz SZORKLAYHJLIRX-SMDDNHRTSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327125 775309475 /nfs/dbraw/zinc/30/94/75/775309475.db2.gz SZORKLAYHJLIRX-SMDDNHRTSA-N 2 1 322.413 -1.059 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268520873 775395100 /nfs/dbraw/zinc/39/51/00/775395100.db2.gz KVBOLTWMAINANO-JXLSXLBDSA-N 2 1 301.387 -1.414 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268520873 775395106 /nfs/dbraw/zinc/39/51/06/775395106.db2.gz KVBOLTWMAINANO-JXLSXLBDSA-N 2 1 301.387 -1.414 20 0 DAADMP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268640739 775410195 /nfs/dbraw/zinc/41/01/95/775410195.db2.gz CFQBLDGFNGIRCH-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268640739 775410197 /nfs/dbraw/zinc/41/01/97/775410197.db2.gz CFQBLDGFNGIRCH-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268645169 775412849 /nfs/dbraw/zinc/41/28/49/775412849.db2.gz JLTUSFGXWUDGQM-IJLUTSLNSA-N 2 1 320.459 -1.030 20 0 DAADMP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12)C(N)=[NH2+] ZINC001268995904 775432740 /nfs/dbraw/zinc/43/27/40/775432740.db2.gz FJXFIOKHLJSAEI-QWRGUYRKSA-N 2 1 322.413 -1.520 20 0 DAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001269246836 775452283 /nfs/dbraw/zinc/45/22/83/775452283.db2.gz AMFNPZHUGMJPAW-CYBMUJFWSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001269388107 775462848 /nfs/dbraw/zinc/46/28/48/775462848.db2.gz FXLTYQWWYSJRHY-LLVKDONJSA-N 2 1 323.397 -1.129 20 0 DAADMP [NH3+]C1CCN(c2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cc[nH+]2)CC1 ZINC001168041677 775549028 /nfs/dbraw/zinc/54/90/28/775549028.db2.gz ADPJNICQIPIKLR-IMJCEVDSSA-N 2 1 323.397 -1.081 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CC(N)=O ZINC001088757223 775655928 /nfs/dbraw/zinc/65/59/28/775655928.db2.gz OFPSONJEGJWWNV-KOKZCLCDSA-N 2 1 322.409 -1.086 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168423885 775738763 /nfs/dbraw/zinc/73/87/63/775738763.db2.gz CYPXCWKIQDQVJR-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576385 775813984 /nfs/dbraw/zinc/81/39/84/775813984.db2.gz OARMFFIMNUDJFP-UHFFFAOYSA-N 2 1 321.389 -1.512 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643751 775818695 /nfs/dbraw/zinc/81/86/95/775818695.db2.gz KBWJZNGVUDPJPT-VXGBXAGGSA-N 2 1 320.459 -1.028 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124879324 775831733 /nfs/dbraw/zinc/83/17/33/775831733.db2.gz RJKDQFOIBDVEAA-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872574 775832603 /nfs/dbraw/zinc/83/26/03/775832603.db2.gz KQRNEJBVECTKDX-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879332 775834140 /nfs/dbraw/zinc/83/41/40/775834140.db2.gz RPGSCZDDWGFMRX-STQMWFEESA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001107008961 775835824 /nfs/dbraw/zinc/83/58/24/775835824.db2.gz DZJDSUAXPHRKMR-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001107008961 775835829 /nfs/dbraw/zinc/83/58/29/775835829.db2.gz DZJDSUAXPHRKMR-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CS(C)(=O)=O ZINC001125227781 775840222 /nfs/dbraw/zinc/84/02/22/775840222.db2.gz ZCBSGRQLEFZIDF-NEPJUHHUSA-N 2 1 321.443 -1.297 20 0 DAADMP C[C@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CS(C)(=O)=O ZINC001125227781 775840228 /nfs/dbraw/zinc/84/02/28/775840228.db2.gz ZCBSGRQLEFZIDF-NEPJUHHUSA-N 2 1 321.443 -1.297 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001125222276 775840758 /nfs/dbraw/zinc/84/07/58/775840758.db2.gz UOKAAVASBKASSO-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001125222276 775840767 /nfs/dbraw/zinc/84/07/67/775840767.db2.gz UOKAAVASBKASSO-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001125214598 775841031 /nfs/dbraw/zinc/84/10/31/775841031.db2.gz URHVDUOTEYSJJC-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001125214598 775841039 /nfs/dbraw/zinc/84/10/39/775841039.db2.gz URHVDUOTEYSJJC-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001125214599 775841180 /nfs/dbraw/zinc/84/11/80/775841180.db2.gz URHVDUOTEYSJJC-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001125214599 775841189 /nfs/dbraw/zinc/84/11/89/775841189.db2.gz URHVDUOTEYSJJC-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001125222265 775841253 /nfs/dbraw/zinc/84/12/53/775841253.db2.gz UOKAAVASBKASSO-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001125222265 775841262 /nfs/dbraw/zinc/84/12/62/775841262.db2.gz UOKAAVASBKASSO-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220307 775841514 /nfs/dbraw/zinc/84/15/14/775841514.db2.gz GLLHTQGKSROUJP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220307 775841519 /nfs/dbraw/zinc/84/15/19/775841519.db2.gz GLLHTQGKSROUJP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221379 775841962 /nfs/dbraw/zinc/84/19/62/775841962.db2.gz PRLGYWIIUMBBAC-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221379 775841972 /nfs/dbraw/zinc/84/19/72/775841972.db2.gz PRLGYWIIUMBBAC-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125227523 775842318 /nfs/dbraw/zinc/84/23/18/775842318.db2.gz UMMGKWVXTUYGTL-ZJUUUORDSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125227523 775842324 /nfs/dbraw/zinc/84/23/24/775842324.db2.gz UMMGKWVXTUYGTL-ZJUUUORDSA-N 2 1 315.374 -2.133 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccco2)C1 ZINC001125220610 775842863 /nfs/dbraw/zinc/84/28/63/775842863.db2.gz KDJNJPVUTIUGKR-ZDUSSCGKSA-N 2 1 324.381 -1.068 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccco2)C1 ZINC001125220610 775842873 /nfs/dbraw/zinc/84/28/73/775842873.db2.gz KDJNJPVUTIUGKR-ZDUSSCGKSA-N 2 1 324.381 -1.068 20 0 DAADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220306 775842903 /nfs/dbraw/zinc/84/29/03/775842903.db2.gz GLLHTQGKSROUJP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220306 775842909 /nfs/dbraw/zinc/84/29/09/775842909.db2.gz GLLHTQGKSROUJP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001127777768 775861916 /nfs/dbraw/zinc/86/19/16/775861916.db2.gz BOOKIECLSDCQCR-QWHCGFSZSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001127777768 775861924 /nfs/dbraw/zinc/86/19/24/775861924.db2.gz BOOKIECLSDCQCR-QWHCGFSZSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001127777770 775862056 /nfs/dbraw/zinc/86/20/56/775862056.db2.gz BOOKIECLSDCQCR-STQMWFEESA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001127777770 775862059 /nfs/dbraw/zinc/86/20/59/775862059.db2.gz BOOKIECLSDCQCR-STQMWFEESA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784744 775862865 /nfs/dbraw/zinc/86/28/65/775862865.db2.gz BBCLYPQSIQOVAU-CHWSQXEVSA-N 2 1 308.386 -1.153 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780219 775862977 /nfs/dbraw/zinc/86/29/77/775862977.db2.gz XDYHPNXFDUBYFY-YPMHNXCESA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779746 775863190 /nfs/dbraw/zinc/86/31/90/775863190.db2.gz RMBUAOKPQVGHQR-RYUDHWBXSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779746 775863197 /nfs/dbraw/zinc/86/31/97/775863197.db2.gz RMBUAOKPQVGHQR-RYUDHWBXSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779973 775863559 /nfs/dbraw/zinc/86/35/59/775863559.db2.gz UOLIYJREQDZQSL-QWRGUYRKSA-N 2 1 309.374 -1.721 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779973 775863566 /nfs/dbraw/zinc/86/35/66/775863566.db2.gz UOLIYJREQDZQSL-QWRGUYRKSA-N 2 1 309.374 -1.721 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778870 775865028 /nfs/dbraw/zinc/86/50/28/775865028.db2.gz HHVJXGXAKZNQOQ-OLZOCXBDSA-N 2 1 301.387 -1.436 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129209460 776054059 /nfs/dbraw/zinc/05/40/59/776054059.db2.gz FPHDKTXGVMXJMX-OLZOCXBDSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129209460 776054066 /nfs/dbraw/zinc/05/40/66/776054066.db2.gz FPHDKTXGVMXJMX-OLZOCXBDSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099975264 776210261 /nfs/dbraw/zinc/21/02/61/776210261.db2.gz ZVBFNTOBCSDELD-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086052459 776236812 /nfs/dbraw/zinc/23/68/12/776236812.db2.gz LAOSETBQHJSXAT-QNWHQSFQSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086052459 776236818 /nfs/dbraw/zinc/23/68/18/776236818.db2.gz LAOSETBQHJSXAT-QNWHQSFQSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091892 776240662 /nfs/dbraw/zinc/24/06/62/776240662.db2.gz RNWMVADBWKKROY-QNWHQSFQSA-N 2 1 310.398 -1.181 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100041278 776250015 /nfs/dbraw/zinc/25/00/15/776250015.db2.gz GVMXDBGDBPEVSC-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001100050777 776252358 /nfs/dbraw/zinc/25/23/58/776252358.db2.gz MWYTUPMGTRXTLK-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086331917 776256101 /nfs/dbraw/zinc/25/61/01/776256101.db2.gz LAOSETBQHJSXAT-FDYHWXHSSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086331917 776256113 /nfs/dbraw/zinc/25/61/13/776256113.db2.gz LAOSETBQHJSXAT-FDYHWXHSSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086331916 776257371 /nfs/dbraw/zinc/25/73/71/776257371.db2.gz LAOSETBQHJSXAT-CYDGBPFRSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086331916 776257376 /nfs/dbraw/zinc/25/73/76/776257376.db2.gz LAOSETBQHJSXAT-CYDGBPFRSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373276 776258452 /nfs/dbraw/zinc/25/84/52/776258452.db2.gz RNWMVADBWKKROY-FDYHWXHSSA-N 2 1 310.398 -1.181 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144192 776272999 /nfs/dbraw/zinc/27/29/99/776272999.db2.gz BDDKWCXPTHKIPR-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144192 776273004 /nfs/dbraw/zinc/27/30/04/776273004.db2.gz BDDKWCXPTHKIPR-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144191 776273338 /nfs/dbraw/zinc/27/33/38/776273338.db2.gz BDDKWCXPTHKIPR-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144191 776273343 /nfs/dbraw/zinc/27/33/43/776273343.db2.gz BDDKWCXPTHKIPR-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129386020 776328444 /nfs/dbraw/zinc/32/84/44/776328444.db2.gz JBPOPGHTLLDNTQ-ZDUSSCGKSA-N 2 1 322.413 -1.202 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386076 776328555 /nfs/dbraw/zinc/32/85/55/776328555.db2.gz JSNOYQZOCZPGJH-OLZOCXBDSA-N 2 1 313.402 -1.474 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129385480 776330033 /nfs/dbraw/zinc/33/00/33/776330033.db2.gz FOLUJXJIPSBTSW-OLZOCXBDSA-N 2 1 322.413 -1.202 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001129386882 776330650 /nfs/dbraw/zinc/33/06/50/776330650.db2.gz QOEXPQBQNVCKJN-ZDUSSCGKSA-N 2 1 320.401 -1.189 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(=O)N(C)C ZINC001129386503 776331818 /nfs/dbraw/zinc/33/18/18/776331818.db2.gz MIPDIPBLJDPQSY-OLZOCXBDSA-N 2 1 324.429 -1.004 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129387198 776334771 /nfs/dbraw/zinc/33/47/71/776334771.db2.gz TXJOCAIPHOGLBW-VXGBXAGGSA-N 2 1 308.386 -1.592 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001130184493 776497341 /nfs/dbraw/zinc/49/73/41/776497341.db2.gz SKVACJGUUZDHSD-KXUCPTDWSA-N 2 1 315.374 -2.005 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001130184493 776497346 /nfs/dbraw/zinc/49/73/46/776497346.db2.gz SKVACJGUUZDHSD-KXUCPTDWSA-N 2 1 315.374 -2.005 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)O1 ZINC001130182643 776497712 /nfs/dbraw/zinc/49/77/12/776497712.db2.gz QSGFQEQCGGNVGE-OUAUKWLOSA-N 2 1 312.370 -1.784 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)O1 ZINC001130182643 776497716 /nfs/dbraw/zinc/49/77/16/776497716.db2.gz QSGFQEQCGGNVGE-OUAUKWLOSA-N 2 1 312.370 -1.784 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186928 776497965 /nfs/dbraw/zinc/49/79/65/776497965.db2.gz MMEFVKVQOHKPFP-MNOVXSKESA-N 2 1 311.386 -1.096 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130303398 776500751 /nfs/dbraw/zinc/50/07/51/776500751.db2.gz BHNZRPNTLAHEAW-NSHDSACASA-N 2 1 311.386 -1.272 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130303895 776501133 /nfs/dbraw/zinc/50/11/33/776501133.db2.gz NJKBHHVONTWQQF-LLVKDONJSA-N 2 1 306.432 -1.274 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130303397 776501192 /nfs/dbraw/zinc/50/11/92/776501192.db2.gz BHNZRPNTLAHEAW-LLVKDONJSA-N 2 1 311.386 -1.272 20 0 DAADMP C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380890 776566683 /nfs/dbraw/zinc/56/66/83/776566683.db2.gz BOBHFPPECULGQB-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380890 776566711 /nfs/dbraw/zinc/56/67/11/776566711.db2.gz BOBHFPPECULGQB-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380579 776568203 /nfs/dbraw/zinc/56/82/03/776568203.db2.gz RPBXAERMTISEBD-ZDUSSCGKSA-N 2 1 314.386 -1.079 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131387223 776569136 /nfs/dbraw/zinc/56/91/36/776569136.db2.gz GTFZZIQLSUZUMZ-UHFFFAOYSA-N 2 1 308.342 -1.551 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380727 776569592 /nfs/dbraw/zinc/56/95/92/776569592.db2.gz YKRRRANBIUOINH-UHFFFAOYSA-N 2 1 310.358 -1.257 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131519291 776573940 /nfs/dbraw/zinc/57/39/40/776573940.db2.gz CNGDMXUSKMEGMS-QRJNDHJOSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519291 776573948 /nfs/dbraw/zinc/57/39/48/776573948.db2.gz CNGDMXUSKMEGMS-QRJNDHJOSA-N 2 1 320.397 -1.116 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)NC1CC1 ZINC001131520505 776574022 /nfs/dbraw/zinc/57/40/22/776574022.db2.gz ZVHOLAWLMUOTSY-ULKWEWGCSA-N 2 1 322.409 -1.166 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC1 ZINC001131520311 776574581 /nfs/dbraw/zinc/57/45/81/776574581.db2.gz XGLKQIDUTLLQRV-MFOWVQHXSA-N 2 1 322.409 -1.212 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519435 776574966 /nfs/dbraw/zinc/57/49/66/776574966.db2.gz FGIFFMCRHSQCHG-MQYJIDSJSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519435 776574971 /nfs/dbraw/zinc/57/49/71/776574971.db2.gz FGIFFMCRHSQCHG-MQYJIDSJSA-N 2 1 320.397 -1.116 20 0 DAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131521574 776575208 /nfs/dbraw/zinc/57/52/08/776575208.db2.gz BUWYRGCNWNCJMQ-XWAURUHHSA-N 2 1 310.398 -1.181 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519429 776575283 /nfs/dbraw/zinc/57/52/83/776575283.db2.gz FETZJAHCEVZWRQ-SBEAFCBVSA-N 2 1 313.398 -1.437 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848842 776643039 /nfs/dbraw/zinc/64/30/39/776643039.db2.gz TZGMJWQMDHWAGJ-CHWSQXEVSA-N 2 1 303.403 -1.191 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845329 776679272 /nfs/dbraw/zinc/67/92/72/776679272.db2.gz BGZOYCYASWBIKO-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849678 776680152 /nfs/dbraw/zinc/68/01/52/776680152.db2.gz BSTFLVNEJAQXMX-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133871251 776681435 /nfs/dbraw/zinc/68/14/35/776681435.db2.gz ZTJDTCVENKAZMT-QWHCGFSZSA-N 2 1 312.414 -1.251 20 0 DAADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001133896642 776681582 /nfs/dbraw/zinc/68/15/82/776681582.db2.gz MOCBIXSAXAUJJO-UHFFFAOYSA-N 2 1 320.459 -1.027 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133871249 776681826 /nfs/dbraw/zinc/68/18/26/776681826.db2.gz ZTJDTCVENKAZMT-CHWSQXEVSA-N 2 1 312.414 -1.251 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001134570149 776712760 /nfs/dbraw/zinc/71/27/60/776712760.db2.gz KDVRCTLEWFSSJR-UHFFFAOYSA-N 2 1 310.358 -1.093 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095970 776735277 /nfs/dbraw/zinc/73/52/77/776735277.db2.gz YCEKHCODLVJXOD-WDEREUQCSA-N 2 1 311.386 -1.096 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350105 776751302 /nfs/dbraw/zinc/75/13/02/776751302.db2.gz MAGLZDJQGKFBRN-UHFFFAOYSA-N 2 1 307.416 -1.541 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350134 776752550 /nfs/dbraw/zinc/75/25/50/776752550.db2.gz NLBLRRSNYUNUAT-UHFFFAOYSA-N 2 1 301.347 -2.391 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135352875 776752838 /nfs/dbraw/zinc/75/28/38/776752838.db2.gz WZBFWKFXIZIUQQ-LLVKDONJSA-N 2 1 312.370 -1.780 20 0 DAADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212227 776757936 /nfs/dbraw/zinc/75/79/36/776757936.db2.gz UDAXQIFBINGGDF-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212227 776757940 /nfs/dbraw/zinc/75/79/40/776757940.db2.gz UDAXQIFBINGGDF-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090818897 776855441 /nfs/dbraw/zinc/85/54/41/776855441.db2.gz XLZMVTFLCVWQHW-KBPBESRZSA-N 2 1 322.413 -1.075 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@@H]21 ZINC001119705814 779512022 /nfs/dbraw/zinc/51/20/22/779512022.db2.gz ZXGGMJNGFSOOKL-TYNCELHUSA-N 2 1 310.398 -1.539 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001124867164 779604294 /nfs/dbraw/zinc/60/42/94/779604294.db2.gz STVTUHLWQRLTIX-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001124872431 779604514 /nfs/dbraw/zinc/60/45/14/779604514.db2.gz FWLJNJBWYSIDLC-LLVKDONJSA-N 2 1 311.386 -1.225 20 0 DAADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125204326 779607549 /nfs/dbraw/zinc/60/75/49/779607549.db2.gz ZOAGWZBNEQCGNR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125204326 779607552 /nfs/dbraw/zinc/60/75/52/779607552.db2.gz ZOAGWZBNEQCGNR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001125209855 779608416 /nfs/dbraw/zinc/60/84/16/779608416.db2.gz ZNLHLFAQQUWXDE-CHWSQXEVSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001125209855 779608417 /nfs/dbraw/zinc/60/84/17/779608417.db2.gz ZNLHLFAQQUWXDE-CHWSQXEVSA-N 2 1 311.386 -1.720 20 0 DAADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125220841 779609462 /nfs/dbraw/zinc/60/94/62/779609462.db2.gz KYRVJIHPGZJWDW-ZDUSSCGKSA-N 2 1 310.402 -1.069 20 0 DAADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125220841 779609467 /nfs/dbraw/zinc/60/94/67/779609467.db2.gz KYRVJIHPGZJWDW-ZDUSSCGKSA-N 2 1 310.402 -1.069 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151048506 779669599 /nfs/dbraw/zinc/66/95/99/779669599.db2.gz BXBCBNNUDGAGDA-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151056514 779670408 /nfs/dbraw/zinc/67/04/08/779670408.db2.gz NRWWOJBVHVATIX-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121639 779670530 /nfs/dbraw/zinc/67/05/30/779670530.db2.gz JSRKIQCJEVQDBA-SECBINFHSA-N 2 1 310.358 -1.259 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001151114409 779671027 /nfs/dbraw/zinc/67/10/27/779671027.db2.gz JZPRGQNMMKCBFA-UHFFFAOYSA-N 2 1 317.415 -1.211 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122302 779671308 /nfs/dbraw/zinc/67/13/08/779671308.db2.gz QSCQUBBMDGAXQS-CYBMUJFWSA-N 2 1 314.386 -1.079 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151049808 779671454 /nfs/dbraw/zinc/67/14/54/779671454.db2.gz ZKABORUWFRAGSY-LLVKDONJSA-N 2 1 311.386 -2.398 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121888 779671576 /nfs/dbraw/zinc/67/15/76/779671576.db2.gz MHVOVHKOMGOSSN-UHFFFAOYSA-N 2 1 317.415 -1.163 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151066365 779671725 /nfs/dbraw/zinc/67/17/25/779671725.db2.gz UBXRKTGQVLQAQE-LLVKDONJSA-N 2 1 311.386 -1.414 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147176 779672705 /nfs/dbraw/zinc/67/27/05/779672705.db2.gz GXGJKLCXHWRLER-UHFFFAOYSA-N 2 1 310.358 -1.257 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001151740914 779682560 /nfs/dbraw/zinc/68/25/60/779682560.db2.gz ZKMFUNOKKYUYOY-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001151740914 779682565 /nfs/dbraw/zinc/68/25/65/779682565.db2.gz ZKMFUNOKKYUYOY-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001151740916 779682655 /nfs/dbraw/zinc/68/26/55/779682655.db2.gz ZKMFUNOKKYUYOY-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001151740916 779682658 /nfs/dbraw/zinc/68/26/58/779682658.db2.gz ZKMFUNOKKYUYOY-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151736915 779683705 /nfs/dbraw/zinc/68/37/05/779683705.db2.gz ARFATVDPWRPCMR-VIFPVBQESA-N 2 1 301.347 -2.392 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151736915 779683709 /nfs/dbraw/zinc/68/37/09/779683709.db2.gz ARFATVDPWRPCMR-VIFPVBQESA-N 2 1 301.347 -2.392 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151739831 779684415 /nfs/dbraw/zinc/68/44/15/779684415.db2.gz OAYANNVNAATCOL-GFCCVEGCSA-N 2 1 313.402 -1.562 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151739831 779684419 /nfs/dbraw/zinc/68/44/19/779684419.db2.gz OAYANNVNAATCOL-GFCCVEGCSA-N 2 1 313.402 -1.562 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001151739321 779684550 /nfs/dbraw/zinc/68/45/50/779684550.db2.gz KKPRRNRTJCABMY-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001151739321 779684556 /nfs/dbraw/zinc/68/45/56/779684556.db2.gz KKPRRNRTJCABMY-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125552 779738691 /nfs/dbraw/zinc/73/86/91/779738691.db2.gz OCXHDTSYWRUHEY-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125552 779738693 /nfs/dbraw/zinc/73/86/93/779738693.db2.gz OCXHDTSYWRUHEY-ZJUUUORDSA-N 2 1 315.374 -2.004 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001156126341 779738711 /nfs/dbraw/zinc/73/87/11/779738711.db2.gz WCCQTJPWMRCKAD-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001156126341 779738712 /nfs/dbraw/zinc/73/87/12/779738712.db2.gz WCCQTJPWMRCKAD-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125545 779738849 /nfs/dbraw/zinc/73/88/49/779738849.db2.gz OCXHDTSYWRUHEY-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125545 779738854 /nfs/dbraw/zinc/73/88/54/779738854.db2.gz OCXHDTSYWRUHEY-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144503 779739983 /nfs/dbraw/zinc/73/99/83/779739983.db2.gz DKVZWUIQDCYISI-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144503 779739987 /nfs/dbraw/zinc/73/99/87/779739987.db2.gz DKVZWUIQDCYISI-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380142 779753535 /nfs/dbraw/zinc/75/35/35/779753535.db2.gz WYRQNLCGLATLRW-AVGNSLFASA-N 2 1 311.430 -1.088 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157536214 779756381 /nfs/dbraw/zinc/75/63/81/779756381.db2.gz IVIIZOFESGDXGJ-GRYCIOLGSA-N 3 1 300.378 -1.053 20 0 DAADMP CN1C[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157536214 779756387 /nfs/dbraw/zinc/75/63/87/779756387.db2.gz IVIIZOFESGDXGJ-GRYCIOLGSA-N 2 1 300.378 -1.053 20 0 DAADMP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093517 779765322 /nfs/dbraw/zinc/76/53/22/779765322.db2.gz WOWUSGYDWJWUOF-MLGOLLRUSA-N 2 1 321.425 -1.449 20 0 DAADMP N[C@@H](CSCC[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101865 779767054 /nfs/dbraw/zinc/76/70/54/779767054.db2.gz NHDIQOZIWBAVMO-JOYOIKCWSA-N 2 1 301.416 -2.304 20 0 DAADMP C[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)COCC[NH2+]1 ZINC001158118902 779768114 /nfs/dbraw/zinc/76/81/14/779768114.db2.gz DSMRHTDSPXLAPA-DZGCQCFKSA-N 2 1 308.382 -1.697 20 0 DAADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158112511 779768317 /nfs/dbraw/zinc/76/83/17/779768317.db2.gz YYRVAZSOBJUXHR-XJKSGUPXSA-N 2 1 317.393 -1.051 20 0 DAADMP O=C(c1cnn2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158112497 779768478 /nfs/dbraw/zinc/76/84/78/779768478.db2.gz YVSJJJFZQXOECH-AWEZNQCLSA-N 2 1 304.354 -1.710 20 0 DAADMP CC1(C)C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CO1 ZINC001158121605 779770129 /nfs/dbraw/zinc/77/01/29/779770129.db2.gz VBFQUFCSVLOFBE-MEDUHNTESA-N 2 1 322.409 -1.309 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179120 779771147 /nfs/dbraw/zinc/77/11/47/779771147.db2.gz IOMTTZWYMOHUTM-KWCYVHTRSA-N 2 1 311.430 -1.816 20 0 DAADMP O=C([C@@H]1COCC[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277857 779772114 /nfs/dbraw/zinc/77/21/14/779772114.db2.gz VZVGVTGZLLCSQL-NSHDSACASA-N 2 1 306.370 -1.313 20 0 DAADMP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505314 779777256 /nfs/dbraw/zinc/77/72/56/779777256.db2.gz ARWSOPSRHDPLSG-KBPBESRZSA-N 2 1 315.414 -1.046 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001158890820 779781775 /nfs/dbraw/zinc/78/17/75/779781775.db2.gz NXIDLLVRJCLIPY-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159289862 779791445 /nfs/dbraw/zinc/79/14/45/779791445.db2.gz BZNMVYFMRLLMIW-AAEUAGOBSA-N 2 1 324.425 -1.245 20 0 DAADMP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159678941 779795922 /nfs/dbraw/zinc/79/59/22/779795922.db2.gz AKEYDZCVQSLSAI-JQWIXIFHSA-N 2 1 320.397 -1.091 20 0 DAADMP OC[C@@H]1C[NH2+]C[C@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159678939 779796283 /nfs/dbraw/zinc/79/62/83/779796283.db2.gz AKEYDZCVQSLSAI-CMPLNLGQSA-N 2 1 320.397 -1.091 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599275 779796516 /nfs/dbraw/zinc/79/65/16/779796516.db2.gz KNLBTDHBBKGZSS-YVECIDJPSA-N 2 1 310.398 -1.195 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001159875837 779797053 /nfs/dbraw/zinc/79/70/53/779797053.db2.gz BZWSSRVUOKIHPO-VXGBXAGGSA-N 2 1 310.402 -1.217 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159876447 779797576 /nfs/dbraw/zinc/79/75/76/779797576.db2.gz ITTWGEFECJDMIY-GFCCVEGCSA-N 2 1 310.402 -1.345 20 0 DAADMP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160216640 779803342 /nfs/dbraw/zinc/80/33/42/779803342.db2.gz FMLBQSDZJSZSQJ-DLOVCJGASA-N 2 1 306.370 -1.483 20 0 DAADMP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160495910 779809404 /nfs/dbraw/zinc/80/94/04/779809404.db2.gz ZXMGOPYDRITOTE-ZKWXMUAHSA-N 2 1 305.356 -1.721 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001160643943 779815269 /nfs/dbraw/zinc/81/52/69/779815269.db2.gz QPSHBJLNJAYGLO-QWHCGFSZSA-N 3 1 312.414 -1.375 20 0 DAADMP CN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001160643943 779815273 /nfs/dbraw/zinc/81/52/73/779815273.db2.gz QPSHBJLNJAYGLO-QWHCGFSZSA-N 2 1 312.414 -1.375 20 0 DAADMP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811983 779820252 /nfs/dbraw/zinc/82/02/52/779820252.db2.gz CINYVCRTHSWYLM-MCYUEQNJSA-N 2 1 310.398 -1.323 20 0 DAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160838802 779821903 /nfs/dbraw/zinc/82/19/03/779821903.db2.gz MAFWNCOXUHGIQO-KGLIPLIRSA-N 2 1 313.446 -1.474 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971571 779822887 /nfs/dbraw/zinc/82/28/87/779822887.db2.gz JHZOQNDHDNKDDT-QWRGUYRKSA-N 2 1 305.373 -1.068 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971569 779823260 /nfs/dbraw/zinc/82/32/60/779823260.db2.gz JHZOQNDHDNKDDT-GHMZBOCLSA-N 2 1 305.373 -1.068 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971572 779823554 /nfs/dbraw/zinc/82/35/54/779823554.db2.gz JHZOQNDHDNKDDT-WDEREUQCSA-N 2 1 305.373 -1.068 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001161035170 779824572 /nfs/dbraw/zinc/82/45/72/779824572.db2.gz UNIGZKPTCYFKCB-RYUDHWBXSA-N 2 1 310.398 -1.085 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001161376595 779834512 /nfs/dbraw/zinc/83/45/12/779834512.db2.gz BOAXPHZADPQARU-KBPBESRZSA-N 3 1 323.441 -1.121 20 0 DAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377524 779836258 /nfs/dbraw/zinc/83/62/58/779836258.db2.gz GUAKPFZZUSYLRP-KGLIPLIRSA-N 3 1 323.441 -1.040 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)CC1 ZINC001161380876 779836430 /nfs/dbraw/zinc/83/64/30/779836430.db2.gz WJBFFOSXUOLIMR-UONOGXRCSA-N 3 1 323.441 -1.659 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)CC1 ZINC001161380877 779836441 /nfs/dbraw/zinc/83/64/41/779836441.db2.gz WJBFFOSXUOLIMR-ZIAGYGMSSA-N 3 1 323.441 -1.659 20 0 DAADMP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1)[C@H]1CCOC1 ZINC001161498661 779839795 /nfs/dbraw/zinc/83/97/95/779839795.db2.gz KVKJYWOLJRJJPX-CMPLNLGQSA-N 2 1 313.402 -1.306 20 0 DAADMP C[NH+]1CCN(c2cc(N(CC[NH3+])S(C)(=O)=O)ncn2)CC1 ZINC001162123835 779850249 /nfs/dbraw/zinc/85/02/49/779850249.db2.gz FCKJMJKUBMGFEV-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162438438 779855742 /nfs/dbraw/zinc/85/57/42/779855742.db2.gz YSYBXIJRHIFHSA-UPJWGTAASA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162445572 779858112 /nfs/dbraw/zinc/85/81/12/779858112.db2.gz FNITYTCOPIZDJB-MCIONIFRSA-N 2 1 320.401 -1.896 20 0 DAADMP [NH3+]C1CCN(c2cccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2)CC1 ZINC001162446159 779860031 /nfs/dbraw/zinc/86/00/31/779860031.db2.gz HCHFGXBRINRRAT-SOUVJXGZSA-N 2 1 318.429 -1.494 20 0 DAADMP [NH3+][C@@H]1NCN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2NCN[C@H]21 ZINC001162446961 779860141 /nfs/dbraw/zinc/86/01/41/779860141.db2.gz KINSPCOUXFKUSN-XQQFMLRXSA-N 2 1 304.402 -1.560 20 0 DAADMP [NH3+][C@@H]1NCN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162446958 779860458 /nfs/dbraw/zinc/86/04/58/779860458.db2.gz KINSPCOUXFKUSN-UPJWGTAASA-N 2 1 304.402 -1.560 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001162646263 779861665 /nfs/dbraw/zinc/86/16/65/779861665.db2.gz DEXURFZNHGDEBP-SNVBAGLBSA-N 2 1 310.358 -1.129 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872032 779863255 /nfs/dbraw/zinc/86/32/55/779863255.db2.gz DMICBVFHJPBWTE-MQYJIDSJSA-N 2 1 310.398 -1.309 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001162872210 779863399 /nfs/dbraw/zinc/86/33/99/779863399.db2.gz KMUGQIZGOKEUIF-NGWKBDRKSA-N 2 1 310.398 -1.181 20 0 DAADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939528 779874436 /nfs/dbraw/zinc/87/44/36/779874436.db2.gz BZEJSXKOKOALDG-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939528 779874440 /nfs/dbraw/zinc/87/44/40/779874440.db2.gz BZEJSXKOKOALDG-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001166707252 779891542 /nfs/dbraw/zinc/89/15/42/779891542.db2.gz FBBVFOXUUCGTHM-WDEREUQCSA-N 2 1 310.402 -1.098 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001166707248 779891659 /nfs/dbraw/zinc/89/16/59/779891659.db2.gz FBBVFOXUUCGTHM-GHMZBOCLSA-N 2 1 310.402 -1.098 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207683988 779922677 /nfs/dbraw/zinc/92/26/77/779922677.db2.gz JCDPMRNJWCNATF-QWRGUYRKSA-N 2 1 311.386 -1.144 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001207733863 779924508 /nfs/dbraw/zinc/92/45/08/779924508.db2.gz ABZFFRMKQWYVBX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001207733863 779924516 /nfs/dbraw/zinc/92/45/16/779924516.db2.gz ABZFFRMKQWYVBX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734170 779925346 /nfs/dbraw/zinc/92/53/46/779925346.db2.gz DQQTYKNCBKBPJO-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734170 779925348 /nfs/dbraw/zinc/92/53/48/779925348.db2.gz DQQTYKNCBKBPJO-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730853 779983358 /nfs/dbraw/zinc/98/33/58/779983358.db2.gz ZMOOZPWIJYDBSZ-YNEHKIRRSA-N 2 1 303.403 -1.239 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCCO ZINC001214386390 779994525 /nfs/dbraw/zinc/99/45/25/779994525.db2.gz GDCLSDOHQVYVOB-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCCO ZINC001214386390 779994537 /nfs/dbraw/zinc/99/45/37/779994537.db2.gz GDCLSDOHQVYVOB-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216750452 780014678 /nfs/dbraw/zinc/01/46/78/780014678.db2.gz ZRFPFNXHIUWBTE-OUAUKWLOSA-N 2 1 311.386 -1.431 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3O)ncn2)CC1 ZINC001218573579 780034608 /nfs/dbraw/zinc/03/46/08/780034608.db2.gz ZESFXOKKNBJRQY-QWRGUYRKSA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3O)ncn2)CC1 ZINC001218573578 780034626 /nfs/dbraw/zinc/03/46/26/780034626.db2.gz ZESFXOKKNBJRQY-MNOVXSKESA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]C[C@H]3O)ncn2)CC1 ZINC001218573577 780035223 /nfs/dbraw/zinc/03/52/23/780035223.db2.gz ZESFXOKKNBJRQY-GHMZBOCLSA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)ncn2)CC1 ZINC001218572147 780035359 /nfs/dbraw/zinc/03/53/59/780035359.db2.gz FJMOUZGEQPPZAB-QWRGUYRKSA-N 2 1 305.386 -1.144 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[NH2+]CCN3)ncn2)CC1 ZINC001218572946 780035391 /nfs/dbraw/zinc/03/53/91/780035391.db2.gz PFOXNXIWQLTDHW-LLVKDONJSA-N 2 1 305.386 -1.272 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640212 780037204 /nfs/dbraw/zinc/03/72/04/780037204.db2.gz GQACAJZRVKSHGH-CYBMUJFWSA-N 2 1 307.402 -1.284 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219593645 780120441 /nfs/dbraw/zinc/12/04/41/780120441.db2.gz BQZDBICWKWNDJZ-JTQLQIEISA-N 2 1 304.416 -1.393 20 0 DAADMP C[NH+]1CCN(CCC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219616396 780125715 /nfs/dbraw/zinc/12/57/15/780125715.db2.gz ZXTJKAJRXGGSAO-GXTWGEPZSA-N 2 1 302.394 -1.197 20 0 DAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219621932 780127211 /nfs/dbraw/zinc/12/72/11/780127211.db2.gz JUTREIHQHISGPY-COPLHBTASA-N 2 1 317.361 -1.340 20 0 DAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219621932 780127215 /nfs/dbraw/zinc/12/72/15/780127215.db2.gz JUTREIHQHISGPY-COPLHBTASA-N 2 1 317.361 -1.340 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671598 780131207 /nfs/dbraw/zinc/13/12/07/780131207.db2.gz KUWZGAKKAHPUPO-MNOVXSKESA-N 2 1 304.416 -1.960 20 0 DAADMP [NH3+][C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)OC1 ZINC001219678138 780131937 /nfs/dbraw/zinc/13/19/37/780131937.db2.gz FBPUOVSECVLPDX-MNOVXSKESA-N 2 1 320.415 -2.156 20 0 DAADMP C[C@@]1(CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219676679 780131946 /nfs/dbraw/zinc/13/19/46/780131946.db2.gz SQHCDQXHOGBQDL-ZDUSSCGKSA-N 2 1 318.443 -1.273 20 0 DAADMP C[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC001219678119 780132023 /nfs/dbraw/zinc/13/20/23/780132023.db2.gz CZBMTBVMGQCTJU-GFCCVEGCSA-N 2 1 304.416 -1.520 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H](F)C1 ZINC001219676373 780132254 /nfs/dbraw/zinc/13/22/54/780132254.db2.gz HZSZRDQRBYPXLG-QWRGUYRKSA-N 2 1 322.406 -1.715 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678317 780132479 /nfs/dbraw/zinc/13/24/79/780132479.db2.gz KNQXTJIIXCRTFO-LLVKDONJSA-N 2 1 319.431 -2.759 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1(O)CC[NH2+]CC1 ZINC001219676741 780132862 /nfs/dbraw/zinc/13/28/62/780132862.db2.gz VHRFMUWQXXPANI-UHFFFAOYSA-N 2 1 320.415 -2.548 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001219676537 780132980 /nfs/dbraw/zinc/13/29/80/780132980.db2.gz OCARMGUZCCDUFT-DGCLKSJQSA-N 2 1 316.427 -1.663 20 0 DAADMP [NH3+][C@@H](CC1CCC1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678411 780133696 /nfs/dbraw/zinc/13/36/96/780133696.db2.gz NQKLEPLPESRFQK-LBPRGKRZSA-N 2 1 318.443 -1.145 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCN1 ZINC001219678428 780133839 /nfs/dbraw/zinc/13/38/39/780133839.db2.gz NYJQGYLQSJMIHI-JTQLQIEISA-N 2 1 305.404 -3.101 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219678613 780134755 /nfs/dbraw/zinc/13/47/55/780134755.db2.gz WJDAANKTACTDFK-UWVGGRQHSA-N 2 1 306.388 -3.082 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219697604 780135461 /nfs/dbraw/zinc/13/54/61/780135461.db2.gz VDXWPWPEWUIXBZ-GFCCVEGCSA-N 3 1 312.414 -1.720 20 0 DAADMP CN1C[C@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219697604 780135467 /nfs/dbraw/zinc/13/54/67/780135467.db2.gz VDXWPWPEWUIXBZ-GFCCVEGCSA-N 2 1 312.414 -1.720 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739044 780140601 /nfs/dbraw/zinc/14/06/01/780140601.db2.gz GABSUDSSXCRTKH-QWHCGFSZSA-N 2 1 311.430 -1.769 20 0 DAADMP [NH3+]CCOCCOCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765157 780144270 /nfs/dbraw/zinc/14/42/70/780144270.db2.gz WHRPOZRNMFGOFB-OLZOCXBDSA-N 2 1 300.403 -1.612 20 0 DAADMP [NH3+]CCOCCOCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765157 780144274 /nfs/dbraw/zinc/14/42/74/780144274.db2.gz WHRPOZRNMFGOFB-OLZOCXBDSA-N 2 1 300.403 -1.612 20 0 DAADMP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766534 780144352 /nfs/dbraw/zinc/14/43/52/780144352.db2.gz VWPKCGSLVYJODE-RQJABVFESA-N 2 1 310.398 -1.453 20 0 DAADMP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766534 780144354 /nfs/dbraw/zinc/14/43/54/780144354.db2.gz VWPKCGSLVYJODE-RQJABVFESA-N 2 1 310.398 -1.453 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219764684 780144471 /nfs/dbraw/zinc/14/44/71/780144471.db2.gz JWPRFAZJMKFEIV-AGIUHOORSA-N 2 1 309.414 -2.273 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219764684 780144472 /nfs/dbraw/zinc/14/44/72/780144472.db2.gz JWPRFAZJMKFEIV-AGIUHOORSA-N 2 1 309.414 -2.273 20 0 DAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766213 780144553 /nfs/dbraw/zinc/14/45/53/780144553.db2.gz NYKYWVOTHXJESU-AGIUHOORSA-N 2 1 309.414 -1.736 20 0 DAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766213 780144559 /nfs/dbraw/zinc/14/45/59/780144559.db2.gz NYKYWVOTHXJESU-AGIUHOORSA-N 2 1 309.414 -1.736 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219806134 780149763 /nfs/dbraw/zinc/14/97/63/780149763.db2.gz LABPRSYZWBNWQM-GNXNZQSNSA-N 2 1 303.366 -1.182 20 0 DAADMP CC(C)(O)[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806099 780149899 /nfs/dbraw/zinc/14/98/99/780149899.db2.gz JUWBAPZIKQFNDP-GFCCVEGCSA-N 2 1 309.370 -1.549 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001219806444 780150137 /nfs/dbraw/zinc/15/01/37/780150137.db2.gz WSSXQFFKTFPUHP-JQWIXIFHSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CC[C@H]1O ZINC001219806429 780150223 /nfs/dbraw/zinc/15/02/23/780150223.db2.gz VYGJJLOTZBUDGD-VXGBXAGGSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1(O)CC[NH2+]CC1 ZINC001219805608 780150337 /nfs/dbraw/zinc/15/03/37/780150337.db2.gz AMIPHMUVTKHHCR-UHFFFAOYSA-N 2 1 321.381 -1.533 20 0 DAADMP [NH3+]CCCNCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836749 780155209 /nfs/dbraw/zinc/15/52/09/780155209.db2.gz DPZPMGDKMFZSIG-JSGCOSHPSA-N 2 1 300.403 -1.564 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845796 780156363 /nfs/dbraw/zinc/15/63/63/780156363.db2.gz SXODHOSFOBTYGD-CRWXNKLISA-N 2 1 317.430 -1.259 20 0 DAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001219845725 780156667 /nfs/dbraw/zinc/15/66/67/780156667.db2.gz PLYSVXVXDQXSCM-RDBSUJKOSA-N 2 1 317.430 -1.257 20 0 DAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001219845725 780156670 /nfs/dbraw/zinc/15/66/70/780156670.db2.gz PLYSVXVXDQXSCM-RDBSUJKOSA-N 2 1 317.430 -1.257 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219854657 780157456 /nfs/dbraw/zinc/15/74/56/780157456.db2.gz OUGDKIDXEPFNGP-XJFOESAGSA-N 2 1 324.425 -1.458 20 0 DAADMP CN1C[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219854657 780157461 /nfs/dbraw/zinc/15/74/61/780157461.db2.gz OUGDKIDXEPFNGP-XJFOESAGSA-N 2 1 324.425 -1.458 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219877537 780158719 /nfs/dbraw/zinc/15/87/19/780158719.db2.gz KLNKYEBUOHELND-OLZOCXBDSA-N 2 1 315.414 -1.502 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219877537 780158720 /nfs/dbraw/zinc/15/87/20/780158720.db2.gz KLNKYEBUOHELND-OLZOCXBDSA-N 2 1 315.414 -1.502 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945805 780166103 /nfs/dbraw/zinc/16/61/03/780166103.db2.gz TZDASZRPNBBVLQ-QWRGUYRKSA-N 2 1 302.400 -1.836 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237327 780193496 /nfs/dbraw/zinc/19/34/96/780193496.db2.gz SYXKFLYFSKLWHQ-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269138 780198464 /nfs/dbraw/zinc/19/84/64/780198464.db2.gz QHYVLFYDMLJUNH-MCIONIFRSA-N 2 1 315.414 -1.503 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1 ZINC001220306763 780201478 /nfs/dbraw/zinc/20/14/78/780201478.db2.gz OOKKIZBUNKICPY-FKIZINRSSA-N 2 1 304.460 -1.164 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355033 780204122 /nfs/dbraw/zinc/20/41/22/780204122.db2.gz AVMZRVOVJCMZNV-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355033 780204124 /nfs/dbraw/zinc/20/41/24/780204124.db2.gz AVMZRVOVJCMZNV-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355033 780204126 /nfs/dbraw/zinc/20/41/26/780204126.db2.gz AVMZRVOVJCMZNV-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355033 780204128 /nfs/dbraw/zinc/20/41/28/780204128.db2.gz AVMZRVOVJCMZNV-MJBXVCDLSA-N 2 1 315.414 -1.502 20 0 DAADMP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN(C)CC1 ZINC001220345974 780204586 /nfs/dbraw/zinc/20/45/86/780204586.db2.gz VEYAZBPREDHSQK-GFCCVEGCSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001220429215 780213409 /nfs/dbraw/zinc/21/34/09/780213409.db2.gz NMRWDCNUNUDIRH-STQMWFEESA-N 3 1 312.414 -1.456 20 0 DAADMP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429215 780213415 /nfs/dbraw/zinc/21/34/15/780213415.db2.gz NMRWDCNUNUDIRH-STQMWFEESA-N 2 1 312.414 -1.456 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429215 780213417 /nfs/dbraw/zinc/21/34/17/780213417.db2.gz NMRWDCNUNUDIRH-STQMWFEESA-N 2 1 312.414 -1.456 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001220429213 780214967 /nfs/dbraw/zinc/21/49/67/780214967.db2.gz NMRWDCNUNUDIRH-OLZOCXBDSA-N 3 1 312.414 -1.456 20 0 DAADMP C[N@@H+]1C[C@@H](C(=O)NC[C@@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429213 780214972 /nfs/dbraw/zinc/21/49/72/780214972.db2.gz NMRWDCNUNUDIRH-OLZOCXBDSA-N 2 1 312.414 -1.456 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)NC[C@@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429213 780214980 /nfs/dbraw/zinc/21/49/80/780214980.db2.gz NMRWDCNUNUDIRH-OLZOCXBDSA-N 2 1 312.414 -1.456 20 0 DAADMP CC(C)[C@H](NC(=O)C[NH2+]CCC[NH3+])C(=O)N1CCOCC1 ZINC001220453292 780216551 /nfs/dbraw/zinc/21/65/51/780216551.db2.gz AVVSHSVNJLAVMT-ZDUSSCGKSA-N 2 1 300.403 -1.076 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCOCCOCC[NH3+] ZINC001220519089 780221418 /nfs/dbraw/zinc/22/14/18/780221418.db2.gz AOMJMQPFPKXQNL-CYBMUJFWSA-N 2 1 317.434 -2.155 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220553439 780227612 /nfs/dbraw/zinc/22/76/12/780227612.db2.gz JTUJFXBAMGCGCV-OLZOCXBDSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220553439 780227618 /nfs/dbraw/zinc/22/76/18/780227618.db2.gz JTUJFXBAMGCGCV-OLZOCXBDSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220578836 780230204 /nfs/dbraw/zinc/23/02/04/780230204.db2.gz UALNDHPCHUYYHB-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001220688925 780240782 /nfs/dbraw/zinc/24/07/82/780240782.db2.gz WEDSTUXYCPFDPI-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220688925 780240785 /nfs/dbraw/zinc/24/07/85/780240785.db2.gz WEDSTUXYCPFDPI-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220688925 780240790 /nfs/dbraw/zinc/24/07/90/780240790.db2.gz WEDSTUXYCPFDPI-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768402 780245716 /nfs/dbraw/zinc/24/57/16/780245716.db2.gz KAIYTQVZCFMUNN-XQQFMLRXSA-N 2 1 319.402 -2.267 20 0 DAADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768688 780247507 /nfs/dbraw/zinc/24/75/07/780247507.db2.gz YPGUJMBWXFRHAC-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220798683 780248747 /nfs/dbraw/zinc/24/87/47/780248747.db2.gz FNMLZRIEUXRPBL-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220831029 780250503 /nfs/dbraw/zinc/25/05/03/780250503.db2.gz NFJZLNYDJZPHME-WOPDTQHZSA-N 2 1 300.403 -1.247 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220828855 780251172 /nfs/dbraw/zinc/25/11/72/780251172.db2.gz FTMNRPQTRPUYMR-UTUOFQBUSA-N 2 1 300.403 -1.376 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001220871862 780253861 /nfs/dbraw/zinc/25/38/61/780253861.db2.gz AKEVHBLVPVSFAI-GFCCVEGCSA-N 2 1 310.398 -1.449 20 0 DAADMP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875248 780254444 /nfs/dbraw/zinc/25/44/44/780254444.db2.gz ZDMFTICFGSGWEP-LBPRGKRZSA-N 2 1 313.402 -1.832 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220872239 780254573 /nfs/dbraw/zinc/25/45/73/780254573.db2.gz PLMWMRWWWNJXTC-NSHDSACASA-N 2 1 323.397 -2.350 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220874373 780254724 /nfs/dbraw/zinc/25/47/24/780254724.db2.gz HQQYZOCFQWJHGM-KBPBESRZSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001220872108 780254783 /nfs/dbraw/zinc/25/47/83/780254783.db2.gz KLIQKUIZFGJRBZ-GFCCVEGCSA-N 2 1 310.398 -1.307 20 0 DAADMP CC(=O)NCSC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874918 780255274 /nfs/dbraw/zinc/25/52/74/780255274.db2.gz RASWBEYUOFBPAU-JTQLQIEISA-N 2 1 317.415 -2.312 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2O)C1 ZINC001221019949 780270665 /nfs/dbraw/zinc/27/06/65/780270665.db2.gz ACHQTHSVNQYFEB-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2O)C1 ZINC001221019949 780270674 /nfs/dbraw/zinc/27/06/74/780270674.db2.gz ACHQTHSVNQYFEB-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019949 780270680 /nfs/dbraw/zinc/27/06/80/780270680.db2.gz ACHQTHSVNQYFEB-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019949 780270685 /nfs/dbraw/zinc/27/06/85/780270685.db2.gz ACHQTHSVNQYFEB-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001221091241 780275542 /nfs/dbraw/zinc/27/55/42/780275542.db2.gz HEUYXXMTZJIFBO-OLZOCXBDSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001221091241 780275547 /nfs/dbraw/zinc/27/55/47/780275547.db2.gz HEUYXXMTZJIFBO-OLZOCXBDSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001221091241 780275555 /nfs/dbraw/zinc/27/55/55/780275555.db2.gz HEUYXXMTZJIFBO-OLZOCXBDSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001221091241 780275562 /nfs/dbraw/zinc/27/55/62/780275562.db2.gz HEUYXXMTZJIFBO-OLZOCXBDSA-N 2 1 310.402 -1.220 20 0 DAADMP C[N@H+]1CCC[C@@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221241327 780285390 /nfs/dbraw/zinc/28/53/90/780285390.db2.gz SOSWOIFYOBEQPV-GFCCVEGCSA-N 2 1 306.432 -1.193 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@H]2NCN[C@@H]21 ZINC001221265401 780287704 /nfs/dbraw/zinc/28/77/04/780287704.db2.gz LJWJOXCVINTOLA-BGPZULBFSA-N 2 1 324.429 -1.946 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266880 780287778 /nfs/dbraw/zinc/28/77/78/780287778.db2.gz YYBRLDAYJKBHFN-GUBZILKMSA-N 2 1 321.407 -4.274 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCN1CCCS1(=O)=O ZINC001221336211 780290250 /nfs/dbraw/zinc/29/02/50/780290250.db2.gz KBLXAGSTQAMFGY-UHFFFAOYSA-N 2 1 304.416 -1.520 20 0 DAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCCN1C(=O)CN ZINC001221390334 780292300 /nfs/dbraw/zinc/29/23/00/780292300.db2.gz QPQIEOSVPPXRQT-NSHDSACASA-N 2 1 312.418 -1.000 20 0 DAADMP Cn1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(=O)n(C)c1=O ZINC001222506977 780311443 /nfs/dbraw/zinc/31/14/43/780311443.db2.gz KOVGLXGZJXRKPB-STQMWFEESA-N 2 1 307.398 -1.390 20 0 DAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)O1 ZINC001234982876 780413065 /nfs/dbraw/zinc/41/30/65/780413065.db2.gz WPQNHXHTNKXSGQ-QVHKTLOISA-N 2 1 315.414 -1.503 20 0 DAADMP CC1(C)O[C@@H]2O[C@@H](CN3CC[NH2+]C[C@]34CC[NH2+]C4)[C@@H](O)[C@@H]2O1 ZINC001234982837 780413674 /nfs/dbraw/zinc/41/36/74/780413674.db2.gz WENTXGSIIISRRK-WHRXGGIHSA-N 2 1 313.398 -1.139 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC[C@@H]1C[NH2+]CCO1 ZINC001236307372 780420134 /nfs/dbraw/zinc/42/01/34/780420134.db2.gz BFPAQKUBUGIIDI-CYBMUJFWSA-N 4 1 301.435 -1.519 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC[C@@H]1C[NH2+]CCO1 ZINC001236307372 780420139 /nfs/dbraw/zinc/42/01/39/780420139.db2.gz BFPAQKUBUGIIDI-CYBMUJFWSA-N 4 1 301.435 -1.519 20 0 DAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2c(n1)C[NH2+]CC2 ZINC001236309150 780420404 /nfs/dbraw/zinc/42/04/04/780420404.db2.gz KHAYUTMMQSSAOO-UHFFFAOYSA-N 3 1 323.445 -1.398 20 0 DAADMP [NH3+]C[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1O ZINC001239415568 780445427 /nfs/dbraw/zinc/44/54/27/780445427.db2.gz MSBOXEZOLBITTQ-NWDGAFQWSA-N 2 1 302.444 -1.165 20 0 DAADMP O=S(=O)(CCNC[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001245997068 780447944 /nfs/dbraw/zinc/44/79/44/780447944.db2.gz VMSRMOAUXMFLKC-LBPRGKRZSA-N 2 1 306.432 -2.075 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246001969 780448486 /nfs/dbraw/zinc/44/84/86/780448486.db2.gz JPJCDDHPWSIBHF-XQQFMLRXSA-N 2 1 315.414 -1.407 20 0 DAADMP CCOC(=O)[C@]12C[N@H+](C[C@@H](O)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001246048308 780449406 /nfs/dbraw/zinc/44/94/06/780449406.db2.gz WQMQCSRFNODDOA-JTNHKYCSSA-N 2 1 300.355 -1.005 20 0 DAADMP CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001246048308 780449410 /nfs/dbraw/zinc/44/94/10/780449410.db2.gz WQMQCSRFNODDOA-JTNHKYCSSA-N 2 1 300.355 -1.005 20 0 DAADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246048506 780449538 /nfs/dbraw/zinc/44/95/38/780449538.db2.gz IVLWFJYEVUWUNF-AWEZNQCLSA-N 3 1 300.447 -1.311 20 0 DAADMP COC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001246062437 780449807 /nfs/dbraw/zinc/44/98/07/780449807.db2.gz LGEKADAZXAVRHK-AGIUHOORSA-N 3 1 315.414 -1.326 20 0 DAADMP COC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001246062437 780449812 /nfs/dbraw/zinc/44/98/12/780449812.db2.gz LGEKADAZXAVRHK-AGIUHOORSA-N 3 1 315.414 -1.326 20 0 DAADMP O=C([C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246121001 780451476 /nfs/dbraw/zinc/45/14/76/780451476.db2.gz VCOZCBPHZVMCOE-STQMWFEESA-N 2 1 313.471 -1.255 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246213858 780452445 /nfs/dbraw/zinc/45/24/45/780452445.db2.gz QLPZMKFSQFBOFS-GUBZILKMSA-N 2 1 315.374 -1.716 20 0 DAADMP CN(CC[NH3+])CC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284829 780452746 /nfs/dbraw/zinc/45/27/46/780452746.db2.gz PRMOXUSCNIHQIE-NEPJUHHUSA-N 2 1 301.460 -1.270 20 0 DAADMP COC(=O)[C@H]([NH3+])CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246334698 780453990 /nfs/dbraw/zinc/45/39/90/780453990.db2.gz PBWNNFRQJBSADD-AXFHLTTASA-N 2 1 316.427 -1.270 20 0 DAADMP O=C1NCC[C@]12C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246631307 780455039 /nfs/dbraw/zinc/45/50/39/780455039.db2.gz WEWDYDVWKABRBI-WBMJQRKESA-N 3 1 306.410 -1.081 20 0 DAADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246632099 780455673 /nfs/dbraw/zinc/45/56/73/780455673.db2.gz ZEVDOZOVDBTNCW-MKBNYLNASA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246632099 780455677 /nfs/dbraw/zinc/45/56/77/780455677.db2.gz ZEVDOZOVDBTNCW-MKBNYLNASA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246627557 780455684 /nfs/dbraw/zinc/45/56/84/780455684.db2.gz NAVVWFIBKUZQIK-WQGACYEGSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246582394 780455859 /nfs/dbraw/zinc/45/58/59/780455859.db2.gz XOMXDGIAYMNGRQ-KKJSVHSVSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246582394 780455861 /nfs/dbraw/zinc/45/58/61/780455861.db2.gz XOMXDGIAYMNGRQ-KKJSVHSVSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628595 780456026 /nfs/dbraw/zinc/45/60/26/780456026.db2.gz ODJSSINIICMUKW-ZETOZRRWSA-N 2 1 308.382 -1.699 20 0 DAADMP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773318 780456737 /nfs/dbraw/zinc/45/67/37/780456737.db2.gz AOUUCWPEPRYYBW-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773318 780456741 /nfs/dbraw/zinc/45/67/41/780456741.db2.gz AOUUCWPEPRYYBW-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651993 780456776 /nfs/dbraw/zinc/45/67/76/780456776.db2.gz NMHNTJFCVPZCDR-XUJVJEKNSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651989 780456951 /nfs/dbraw/zinc/45/69/51/780456951.db2.gz NMHNTJFCVPZCDR-JMSVASOKSA-N 2 1 310.398 -1.166 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246918966 780458374 /nfs/dbraw/zinc/45/83/74/780458374.db2.gz ICMKXRNLDBCWPF-LBPRGKRZSA-N 4 1 315.487 -1.050 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246918966 780458378 /nfs/dbraw/zinc/45/83/78/780458378.db2.gz ICMKXRNLDBCWPF-LBPRGKRZSA-N 4 1 315.487 -1.050 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246918353 780458490 /nfs/dbraw/zinc/45/84/90/780458490.db2.gz DXDGMHFPSOBDAA-CYBMUJFWSA-N 4 1 312.462 -1.804 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246918353 780458496 /nfs/dbraw/zinc/45/84/96/780458496.db2.gz DXDGMHFPSOBDAA-CYBMUJFWSA-N 4 1 312.462 -1.804 20 0 DAADMP C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCC[N@@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001254514071 780487936 /nfs/dbraw/zinc/48/79/36/780487936.db2.gz IYPWQAOHUUSWPK-JRULLXGZSA-N 2 1 318.414 -1.096 20 0 DAADMP [NH3+][C@@H]1NCN(C2CCC([NH+]3CCOCC3)CC2)[C@@H]2NCN[C@H]21 ZINC001256686787 780510741 /nfs/dbraw/zinc/51/07/41/780510741.db2.gz DHSBTRBQUAGQRZ-PCGVCOGMSA-N 2 1 310.446 -1.378 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554717 780548491 /nfs/dbraw/zinc/54/84/91/780548491.db2.gz LILZVROAGFZQMS-MROQNXINSA-N 2 1 310.398 -1.480 20 0 DAADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261554346 780549038 /nfs/dbraw/zinc/54/90/38/780549038.db2.gz BLWDRCUCTNRZPN-FRRDWIJNSA-N 2 1 310.398 -1.620 20 0 DAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001262067032 780567107 /nfs/dbraw/zinc/56/71/07/780567107.db2.gz QIGJNHHILZPIJQ-FDYHWXHSSA-N 2 1 310.398 -1.181 20 0 DAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001262203395 780568286 /nfs/dbraw/zinc/56/82/86/780568286.db2.gz SMCWYMZCEQHIQR-AWEZNQCLSA-N 2 1 323.441 -1.296 20 0 DAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001262490595 780571898 /nfs/dbraw/zinc/57/18/98/780571898.db2.gz ZTJWBQDUMGIRGF-BFHYXJOUSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001262562223 780575854 /nfs/dbraw/zinc/57/58/54/780575854.db2.gz TXPXJNJNDXKIPO-MRXNPFEDSA-N 2 1 313.490 -1.178 20 0 DAADMP CN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC[N@H+](C)CC1 ZINC001263245544 780577762 /nfs/dbraw/zinc/57/77/62/780577762.db2.gz MPJSSZNSUZHMRI-UHFFFAOYSA-N 2 1 309.418 -1.054 20 0 DAADMP CN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC[N@@H+](C)CC1 ZINC001263245544 780577767 /nfs/dbraw/zinc/57/77/67/780577767.db2.gz MPJSSZNSUZHMRI-UHFFFAOYSA-N 2 1 309.418 -1.054 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001264389062 780583892 /nfs/dbraw/zinc/58/38/92/780583892.db2.gz WSOFZTXISAFDKT-MJBXVCDLSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001264389062 780583900 /nfs/dbraw/zinc/58/39/00/780583900.db2.gz WSOFZTXISAFDKT-MJBXVCDLSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001264389061 780584412 /nfs/dbraw/zinc/58/44/12/780584412.db2.gz WSOFZTXISAFDKT-HZSPNIEDSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001264389061 780584415 /nfs/dbraw/zinc/58/44/15/780584415.db2.gz WSOFZTXISAFDKT-HZSPNIEDSA-N 2 1 315.414 -1.190 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973593 780588335 /nfs/dbraw/zinc/58/83/35/780588335.db2.gz CPOGXEVMFSOHGX-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973593 780588336 /nfs/dbraw/zinc/58/83/36/780588336.db2.gz CPOGXEVMFSOHGX-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973593 780588342 /nfs/dbraw/zinc/58/83/42/780588342.db2.gz CPOGXEVMFSOHGX-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973593 780588343 /nfs/dbraw/zinc/58/83/43/780588343.db2.gz CPOGXEVMFSOHGX-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001265848911 780609680 /nfs/dbraw/zinc/60/96/80/780609680.db2.gz SRIXWFMTGNMCMX-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001265848911 780609683 /nfs/dbraw/zinc/60/96/83/780609683.db2.gz SRIXWFMTGNMCMX-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001265848911 780609685 /nfs/dbraw/zinc/60/96/85/780609685.db2.gz SRIXWFMTGNMCMX-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)C1 ZINC001279911986 780630247 /nfs/dbraw/zinc/63/02/47/780630247.db2.gz PZLXXZKKMGUSLH-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)C1 ZINC001279911986 780630254 /nfs/dbraw/zinc/63/02/54/780630254.db2.gz PZLXXZKKMGUSLH-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](C)CCOCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001282945805 780724931 /nfs/dbraw/zinc/72/49/31/780724931.db2.gz CLQALCUVYVHYCY-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283830867 780782177 /nfs/dbraw/zinc/78/21/77/780782177.db2.gz HKZFEHJCZAESBL-GHMZBOCLSA-N 2 1 314.386 -1.802 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283830869 780782689 /nfs/dbraw/zinc/78/26/89/780782689.db2.gz HKZFEHJCZAESBL-QWRGUYRKSA-N 2 1 314.386 -1.802 20 0 DAADMP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284877638 780842339 /nfs/dbraw/zinc/84/23/39/780842339.db2.gz HFJKDYNSQUWVOP-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091150830 781379288 /nfs/dbraw/zinc/37/92/88/781379288.db2.gz AWXTVWIYMPQGFQ-RRHJKOLHSA-N 2 1 322.409 -1.181 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171226753 781385769 /nfs/dbraw/zinc/38/57/69/781385769.db2.gz KMECENKEEPYLDW-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc[nH+]cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261522 781407508 /nfs/dbraw/zinc/40/75/08/781407508.db2.gz NVMCNBUEFCMUHT-OJAKKHQRSA-N 2 1 319.321 -1.618 20 0 DAADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001147842366 781458893 /nfs/dbraw/zinc/45/88/93/781458893.db2.gz USNOCNPQCYMCGH-UHFFFAOYSA-N 2 1 311.390 -1.208 20 0 DAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21 ZINC001161081412 781461300 /nfs/dbraw/zinc/46/13/00/781461300.db2.gz JNFVSAFPXRGXTE-NEPJUHHUSA-N 2 1 318.443 -1.241 20 0 DAADMP C[N@H+]1CCC[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]21 ZINC001161081413 781461629 /nfs/dbraw/zinc/46/16/29/781461629.db2.gz JNFVSAFPXRGXTE-NWDGAFQWSA-N 2 1 318.443 -1.241 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001148643381 781476084 /nfs/dbraw/zinc/47/60/84/781476084.db2.gz XUOTXXBSWYWYMI-UHFFFAOYSA-N 2 1 308.448 -1.027 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001148748898 781477488 /nfs/dbraw/zinc/47/74/88/781477488.db2.gz ZTXUGJMRFRKFHD-NSHDSACASA-N 2 1 323.397 -1.333 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001148748898 781477508 /nfs/dbraw/zinc/47/75/08/781477508.db2.gz ZTXUGJMRFRKFHD-NSHDSACASA-N 2 1 323.397 -1.333 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001148748898 781477512 /nfs/dbraw/zinc/47/75/12/781477512.db2.gz ZTXUGJMRFRKFHD-NSHDSACASA-N 2 1 323.397 -1.333 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001148748898 781477523 /nfs/dbraw/zinc/47/75/23/781477523.db2.gz ZTXUGJMRFRKFHD-NSHDSACASA-N 2 1 323.397 -1.333 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001093213965 781508353 /nfs/dbraw/zinc/50/83/53/781508353.db2.gz JKYRSHSERMSSIO-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001093213965 781508357 /nfs/dbraw/zinc/50/83/57/781508357.db2.gz JKYRSHSERMSSIO-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213965 781508364 /nfs/dbraw/zinc/50/83/64/781508364.db2.gz JKYRSHSERMSSIO-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213965 781508369 /nfs/dbraw/zinc/50/83/69/781508369.db2.gz JKYRSHSERMSSIO-UPJWGTAASA-N 2 1 312.414 -1.124 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171762563 781587600 /nfs/dbraw/zinc/58/76/00/781587600.db2.gz GFQXFGAHTKPHPQ-UHFFFAOYSA-N 2 1 308.448 -1.027 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001174776966 781599467 /nfs/dbraw/zinc/59/94/67/781599467.db2.gz JQWFLVWXPXOSIC-AWEZNQCLSA-N 2 1 311.386 -1.237 20 0 DAADMP CN(CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001176058097 781613328 /nfs/dbraw/zinc/61/33/28/781613328.db2.gz UMKUIGVGTCBKGP-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001176627643 781620873 /nfs/dbraw/zinc/62/08/73/781620873.db2.gz LUFKHEVEUINHKP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001176627643 781620878 /nfs/dbraw/zinc/62/08/78/781620878.db2.gz LUFKHEVEUINHKP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176644049 781621873 /nfs/dbraw/zinc/62/18/73/781621873.db2.gz KQTFCGGBSBKAGN-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176644049 781621877 /nfs/dbraw/zinc/62/18/77/781621877.db2.gz KQTFCGGBSBKAGN-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC)C1 ZINC001176643911 781622458 /nfs/dbraw/zinc/62/24/58/781622458.db2.gz JIJOOLMERDOIJJ-QWHCGFSZSA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC)C1 ZINC001176643911 781622462 /nfs/dbraw/zinc/62/24/62/781622462.db2.gz JIJOOLMERDOIJJ-QWHCGFSZSA-N 2 1 303.403 -1.190 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176975768 781628752 /nfs/dbraw/zinc/62/87/52/781628752.db2.gz XQGVSJULPORLGT-UHFFFAOYSA-N 2 1 308.448 -1.028 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001178356249 781645620 /nfs/dbraw/zinc/64/56/20/781645620.db2.gz KHQHLDNENFMEIU-GARJFASQSA-N 2 1 311.386 -1.146 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179150311 781657186 /nfs/dbraw/zinc/65/71/86/781657186.db2.gz NBOCLVCIODQEKR-QWRGUYRKSA-N 2 1 322.369 -1.035 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066741 781693892 /nfs/dbraw/zinc/69/38/92/781693892.db2.gz YIELYNLLKUUXCL-CHWSQXEVSA-N 2 1 303.403 -1.332 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822526 781694310 /nfs/dbraw/zinc/69/43/10/781694310.db2.gz QXEUMEKOPDEBOI-FRRDWIJNSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822526 781694317 /nfs/dbraw/zinc/69/43/17/781694317.db2.gz QXEUMEKOPDEBOI-FRRDWIJNSA-N 2 1 301.387 -1.485 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151066572 781694583 /nfs/dbraw/zinc/69/45/83/781694583.db2.gz WMMINEKGYLWNDN-OLZOCXBDSA-N 2 1 312.414 -1.203 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576702 781726757 /nfs/dbraw/zinc/72/67/57/781726757.db2.gz PIFBTOMKGXDQJH-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576702 781726762 /nfs/dbraw/zinc/72/67/62/781726762.db2.gz PIFBTOMKGXDQJH-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)O1 ZINC001183576416 781726940 /nfs/dbraw/zinc/72/69/40/781726940.db2.gz LJPYNEKPSCMCLT-JHJVBQTASA-N 2 1 312.414 -1.016 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)O1 ZINC001183576416 781726948 /nfs/dbraw/zinc/72/69/48/781726948.db2.gz LJPYNEKPSCMCLT-JHJVBQTASA-N 2 1 312.414 -1.016 20 0 DAADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001184878077 781754070 /nfs/dbraw/zinc/75/40/70/781754070.db2.gz ZARRJSQVYOIHSW-HBNTYKKESA-N 2 1 311.386 -1.146 20 0 DAADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001184878076 781754546 /nfs/dbraw/zinc/75/45/46/781754546.db2.gz ZARRJSQVYOIHSW-GMTAPVOTSA-N 2 1 311.386 -1.146 20 0 DAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)O1 ZINC001186055327 781772413 /nfs/dbraw/zinc/77/24/13/781772413.db2.gz PGFRITUNHNRWFS-HKUMRIAESA-N 2 1 301.387 -1.106 20 0 DAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)O1 ZINC001186055327 781772419 /nfs/dbraw/zinc/77/24/19/781772419.db2.gz PGFRITUNHNRWFS-HKUMRIAESA-N 2 1 301.387 -1.106 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001187982058 781811602 /nfs/dbraw/zinc/81/16/02/781811602.db2.gz DSVGLDYJJKXUJW-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001187982058 781811608 /nfs/dbraw/zinc/81/16/08/781811608.db2.gz DSVGLDYJJKXUJW-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001187982145 781812204 /nfs/dbraw/zinc/81/22/04/781812204.db2.gz GKEUMOHPIRRXNH-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001187982145 781812213 /nfs/dbraw/zinc/81/22/13/781812213.db2.gz GKEUMOHPIRRXNH-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187982740 781813313 /nfs/dbraw/zinc/81/33/13/781813313.db2.gz PLPDNMNWIISWOB-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187982740 781813316 /nfs/dbraw/zinc/81/33/16/781813316.db2.gz PLPDNMNWIISWOB-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390509 781838950 /nfs/dbraw/zinc/83/89/50/781838950.db2.gz RJURFCYPYSPSLC-GHMZBOCLSA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390509 781838958 /nfs/dbraw/zinc/83/89/58/781838958.db2.gz RJURFCYPYSPSLC-GHMZBOCLSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390509 781838969 /nfs/dbraw/zinc/83/89/69/781838969.db2.gz RJURFCYPYSPSLC-GHMZBOCLSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390509 781838979 /nfs/dbraw/zinc/83/89/79/781838979.db2.gz RJURFCYPYSPSLC-GHMZBOCLSA-N 2 1 311.386 -1.192 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001376875182 921741673 /nfs/dbraw/zinc/74/16/73/921741673.db2.gz ULNIEPTWEVWYHN-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001377266605 921793716 /nfs/dbraw/zinc/79/37/16/921793716.db2.gz OKVYBZLIVYRUEU-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001377340347 921806640 /nfs/dbraw/zinc/80/66/40/921806640.db2.gz NUMKYBNJJIUKMN-STQMWFEESA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001377340347 921806648 /nfs/dbraw/zinc/80/66/48/921806648.db2.gz NUMKYBNJJIUKMN-STQMWFEESA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105192009 916123395 /nfs/dbraw/zinc/12/33/95/916123395.db2.gz JIPJZZNAWKABJX-CYBMUJFWSA-N 2 1 308.386 -1.163 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105192009 916123402 /nfs/dbraw/zinc/12/34/02/916123402.db2.gz JIPJZZNAWKABJX-CYBMUJFWSA-N 2 1 308.386 -1.163 20 0 DAADMP C[NH+](C)Cc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001187302454 916152762 /nfs/dbraw/zinc/15/27/62/916152762.db2.gz QZKJKDNUBBIFPE-IHRRRGAJSA-N 2 1 304.398 -1.119 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001316845405 916234926 /nfs/dbraw/zinc/23/49/26/916234926.db2.gz HVUWDYBZWGAKEN-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001317068070 916262940 /nfs/dbraw/zinc/26/29/40/916262940.db2.gz PLPDNMNWIISWOB-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001317068070 916262955 /nfs/dbraw/zinc/26/29/55/916262955.db2.gz PLPDNMNWIISWOB-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236163 916275882 /nfs/dbraw/zinc/27/58/82/916275882.db2.gz WMLWNOXYDSGPEY-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236163 916275897 /nfs/dbraw/zinc/27/58/97/916275897.db2.gz WMLWNOXYDSGPEY-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236159 916277421 /nfs/dbraw/zinc/27/74/21/916277421.db2.gz WMLWNOXYDSGPEY-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCNC(=O)C1CC1 ZINC001317236159 916277439 /nfs/dbraw/zinc/27/74/39/916277439.db2.gz WMLWNOXYDSGPEY-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578235 916327857 /nfs/dbraw/zinc/32/78/57/916327857.db2.gz IGVGWMMXPNFKMU-LBPRGKRZSA-N 2 1 313.402 -1.610 20 0 DAADMP CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578235 916327877 /nfs/dbraw/zinc/32/78/77/916327877.db2.gz IGVGWMMXPNFKMU-LBPRGKRZSA-N 2 1 313.402 -1.610 20 0 DAADMP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317572408 916328174 /nfs/dbraw/zinc/32/81/74/916328174.db2.gz FEFPUVPPOHKYBR-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001317664659 916342771 /nfs/dbraw/zinc/34/27/71/916342771.db2.gz MNNNLHYDNLOIMD-UHFFFAOYSA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317661584 916344574 /nfs/dbraw/zinc/34/45/74/916344574.db2.gz OPTGRAFJSUKNEU-UHFFFAOYSA-N 2 1 310.358 -1.305 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320249248 916486943 /nfs/dbraw/zinc/48/69/43/916486943.db2.gz IUDUCFIXEFVKFC-MNOVXSKESA-N 2 1 323.353 -1.937 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001321011328 916540342 /nfs/dbraw/zinc/54/03/42/916540342.db2.gz DAFWESVLKTWEEC-FAQRPARDSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001321011328 916540360 /nfs/dbraw/zinc/54/03/60/916540360.db2.gz DAFWESVLKTWEEC-FAQRPARDSA-N 2 1 310.398 -1.142 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)C1 ZINC001321249145 916558806 /nfs/dbraw/zinc/55/88/06/916558806.db2.gz IZCCMVPMTZSFAP-KXMPLOMGSA-N 2 1 311.386 -1.215 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001321294475 916562534 /nfs/dbraw/zinc/56/25/34/916562534.db2.gz PAEHCYHXOJJYCW-ZIYVKSGCSA-N 2 1 310.398 -1.141 20 0 DAADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001325997532 916880042 /nfs/dbraw/zinc/88/00/42/916880042.db2.gz RUMVLMRRPKQPEA-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001325997532 916880053 /nfs/dbraw/zinc/88/00/53/916880053.db2.gz RUMVLMRRPKQPEA-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001326075130 916892482 /nfs/dbraw/zinc/89/24/82/916892482.db2.gz YFKARHLIQLHYCP-LBPRGKRZSA-N 2 1 300.403 -1.373 20 0 DAADMP C[NH+](C)CC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001326577260 916930340 /nfs/dbraw/zinc/93/03/40/916930340.db2.gz JONLDHJSLPZMHW-OLZOCXBDSA-N 2 1 313.446 -1.031 20 0 DAADMP C[NH+](C)CC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001326577262 916934105 /nfs/dbraw/zinc/93/41/05/916934105.db2.gz JONLDHJSLPZMHW-QWHCGFSZSA-N 2 1 313.446 -1.031 20 0 DAADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326844130 916960709 /nfs/dbraw/zinc/96/07/09/916960709.db2.gz FLPMLWOSJWHGRI-RWMBFGLXSA-N 2 1 310.398 -1.478 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC001327055839 916986840 /nfs/dbraw/zinc/98/68/40/916986840.db2.gz OHIPRLMNBHZZGP-CYBMUJFWSA-N 2 1 313.446 -1.016 20 0 DAADMP OC[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067542 916989058 /nfs/dbraw/zinc/98/90/58/916989058.db2.gz PUKXVDNIKDXBQD-ZQDZILKHSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067542 916989069 /nfs/dbraw/zinc/98/90/69/916989069.db2.gz PUKXVDNIKDXBQD-ZQDZILKHSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067542 916989078 /nfs/dbraw/zinc/98/90/78/916989078.db2.gz PUKXVDNIKDXBQD-ZQDZILKHSA-N 2 1 302.415 -1.273 20 0 DAADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327708555 917036222 /nfs/dbraw/zinc/03/62/22/917036222.db2.gz YSOXHUJVEAGNCV-MROQNXINSA-N 2 1 310.398 -1.541 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328218177 917069958 /nfs/dbraw/zinc/06/99/58/917069958.db2.gz YVNNDAQASKAEGO-CYBMUJFWSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328218177 917069969 /nfs/dbraw/zinc/06/99/69/917069969.db2.gz YVNNDAQASKAEGO-CYBMUJFWSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114848 917142384 /nfs/dbraw/zinc/14/23/84/917142384.db2.gz JVMMZIYUYQPWOB-SDDRHHMPSA-N 2 1 312.370 -2.632 20 0 DAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]2C1=O ZINC001329744335 917197400 /nfs/dbraw/zinc/19/74/00/917197400.db2.gz XVYOUMJOSCIAEU-UTUOFQBUSA-N 2 1 308.382 -1.270 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331176183 917282300 /nfs/dbraw/zinc/28/23/00/917282300.db2.gz GHTUGYUOPGDUMU-TXEJJXNPSA-N 2 1 300.403 -1.076 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001331738596 917326363 /nfs/dbraw/zinc/32/63/63/917326363.db2.gz MSRUDZKWVZHEEW-UHFFFAOYSA-N 2 1 313.446 -1.063 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001332603163 917391894 /nfs/dbraw/zinc/39/18/94/917391894.db2.gz VFUWMBHNOCWXCM-RYUDHWBXSA-N 2 1 321.443 -1.608 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)C1 ZINC001332607855 917394365 /nfs/dbraw/zinc/39/43/65/917394365.db2.gz UPAKYLDKLLIIIG-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)C1 ZINC001332607855 917394379 /nfs/dbraw/zinc/39/43/79/917394379.db2.gz UPAKYLDKLLIIIG-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)C1 ZINC001332607856 917395360 /nfs/dbraw/zinc/39/53/60/917395360.db2.gz UPAKYLDKLLIIIG-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)C1 ZINC001332607856 917395364 /nfs/dbraw/zinc/39/53/64/917395364.db2.gz UPAKYLDKLLIIIG-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001333377633 917437288 /nfs/dbraw/zinc/43/72/88/917437288.db2.gz HZTVUOLCDUSWBD-HEHGZKQESA-N 2 1 323.441 -1.584 20 0 DAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH2+]C1 ZINC001333376969 917437370 /nfs/dbraw/zinc/43/73/70/917437370.db2.gz FFIOKPLCALTTGC-STQMWFEESA-N 2 1 311.430 -1.441 20 0 DAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333564621 917450360 /nfs/dbraw/zinc/45/03/60/917450360.db2.gz ATOSJEUJJKLMAZ-SECBINFHSA-N 2 1 322.369 -1.533 20 0 DAADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335205563 917530500 /nfs/dbraw/zinc/53/05/00/917530500.db2.gz VFPOQJIIVOSJQQ-OLZOCXBDSA-N 2 1 310.398 -1.620 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335255447 917538830 /nfs/dbraw/zinc/53/88/30/917538830.db2.gz MDZDBWQJVWNWRP-RWMBFGLXSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335255445 917540331 /nfs/dbraw/zinc/54/03/31/917540331.db2.gz MDZDBWQJVWNWRP-AVGNSLFASA-N 2 1 312.414 -1.103 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336557445 917591541 /nfs/dbraw/zinc/59/15/41/917591541.db2.gz RCFJOLZFWYEWIC-FVCCEPFGSA-N 2 1 309.414 -1.643 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336555993 917592037 /nfs/dbraw/zinc/59/20/37/917592037.db2.gz KBTFWMJDGDZCAT-BFHYXJOUSA-N 2 1 323.441 -1.584 20 0 DAADMP CNC(=O)C[NH+]1CCC(N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC001339978804 917724855 /nfs/dbraw/zinc/72/48/55/917724855.db2.gz HDTMWZVRCZZWLT-LLVKDONJSA-N 2 1 311.386 -1.321 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001340926940 917745586 /nfs/dbraw/zinc/74/55/86/917745586.db2.gz ATQGSGUKLSKQAB-KFWWJZLASA-N 2 1 307.442 -1.119 20 0 DAADMP COC[C@@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)C[NH2+]CCO1 ZINC001341395557 917757049 /nfs/dbraw/zinc/75/70/49/917757049.db2.gz UPPLVRSEKVUWQN-OAHLLOKOSA-N 2 1 314.430 -1.303 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341685054 917763010 /nfs/dbraw/zinc/76/30/10/917763010.db2.gz RDNUXKGPCFIBFG-LBPRGKRZSA-N 2 1 300.403 -1.122 20 0 DAADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001343026088 917794009 /nfs/dbraw/zinc/79/40/09/917794009.db2.gz PNOYEKQBWPLSKG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001343026088 917794023 /nfs/dbraw/zinc/79/40/23/917794023.db2.gz PNOYEKQBWPLSKG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001345911105 917865457 /nfs/dbraw/zinc/86/54/57/917865457.db2.gz IDBLTGFWDZPHMR-OLZOCXBDSA-N 2 1 311.430 -1.393 20 0 DAADMP CN1CC[NH+](CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001346104988 917869390 /nfs/dbraw/zinc/86/93/90/917869390.db2.gz NUJXSTXTAAZWPD-UHFFFAOYSA-N 2 1 309.418 -1.006 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131934 917929852 /nfs/dbraw/zinc/92/98/52/917929852.db2.gz MHLCWNSYOYMKIG-ZIAGYGMSSA-N 2 1 314.430 -1.568 20 0 DAADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001349863344 918041567 /nfs/dbraw/zinc/04/15/67/918041567.db2.gz GBRNBSVWGRKLEP-RWMBFGLXSA-N 2 1 310.398 -1.668 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001350004872 918045752 /nfs/dbraw/zinc/04/57/52/918045752.db2.gz MEVBEJGUUBDNIS-CHWSQXEVSA-N 2 1 311.430 -1.312 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001353121180 918141046 /nfs/dbraw/zinc/14/10/46/918141046.db2.gz HJKKKPPJVWSUDB-JMSVASOKSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001353121182 918144033 /nfs/dbraw/zinc/14/40/33/918144033.db2.gz HJKKKPPJVWSUDB-TYNCELHUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279066 918148826 /nfs/dbraw/zinc/14/88/26/918148826.db2.gz XSHKJTMLDKTOPK-ZDUSSCGKSA-N 2 1 305.444 -1.239 20 0 DAADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279066 918148835 /nfs/dbraw/zinc/14/88/35/918148835.db2.gz XSHKJTMLDKTOPK-ZDUSSCGKSA-N 2 1 305.444 -1.239 20 0 DAADMP C[N@H+](C[C@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279065 918149108 /nfs/dbraw/zinc/14/91/08/918149108.db2.gz XSHKJTMLDKTOPK-CYBMUJFWSA-N 2 1 305.444 -1.239 20 0 DAADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279065 918149115 /nfs/dbraw/zinc/14/91/15/918149115.db2.gz XSHKJTMLDKTOPK-CYBMUJFWSA-N 2 1 305.444 -1.239 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001353293893 918149442 /nfs/dbraw/zinc/14/94/42/918149442.db2.gz WTNKETMLERUGNK-RYUDHWBXSA-N 2 1 323.397 -2.114 20 0 DAADMP C[NH+]1CCC(NC(=O)C[NH2+][C@](C)(Cn2cccn2)C(N)=O)CC1 ZINC001363852540 918898054 /nfs/dbraw/zinc/89/80/54/918898054.db2.gz OXOIEXBONUAJSM-OAHLLOKOSA-N 2 1 322.413 -1.073 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364470331 919019979 /nfs/dbraw/zinc/01/99/79/919019979.db2.gz VFYLNWWXPMJWRV-GHMZBOCLSA-N 2 1 311.386 -2.331 20 0 DAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001365812269 919240010 /nfs/dbraw/zinc/24/00/10/919240010.db2.gz UDAXQIFBINGGDF-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001365812269 919240029 /nfs/dbraw/zinc/24/00/29/919240029.db2.gz UDAXQIFBINGGDF-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366035339 919274323 /nfs/dbraw/zinc/27/43/23/919274323.db2.gz SINGYDGNSKVFOW-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366035339 919274338 /nfs/dbraw/zinc/27/43/38/919274338.db2.gz SINGYDGNSKVFOW-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366101599 919280254 /nfs/dbraw/zinc/28/02/54/919280254.db2.gz DSVGLDYJJKXUJW-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366101599 919280267 /nfs/dbraw/zinc/28/02/67/919280267.db2.gz DSVGLDYJJKXUJW-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366101597 919280396 /nfs/dbraw/zinc/28/03/96/919280396.db2.gz DSVGLDYJJKXUJW-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366101597 919280410 /nfs/dbraw/zinc/28/04/10/919280410.db2.gz DSVGLDYJJKXUJW-IHRRRGAJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366170399 919290828 /nfs/dbraw/zinc/29/08/28/919290828.db2.gz SMAYWXBYCVQYKD-RFQIPJPRSA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001366170399 919290837 /nfs/dbraw/zinc/29/08/37/919290837.db2.gz SMAYWXBYCVQYKD-RFQIPJPRSA-N 2 1 315.414 -1.049 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366339133 919313943 /nfs/dbraw/zinc/31/39/43/919313943.db2.gz BZDGEORLTAADNR-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001366379264 919320502 /nfs/dbraw/zinc/32/05/02/919320502.db2.gz NHDJLTHCMHOWPQ-OUAUKWLOSA-N 2 1 311.386 -1.288 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001366397056 919324308 /nfs/dbraw/zinc/32/43/08/919324308.db2.gz GOQLGTWXRXFYEW-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001366397056 919324323 /nfs/dbraw/zinc/32/43/23/919324323.db2.gz GOQLGTWXRXFYEW-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC001366576022 919348022 /nfs/dbraw/zinc/34/80/22/919348022.db2.gz UPUSRXHPTBSFQT-ZDUSSCGKSA-N 2 1 322.413 -1.005 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC001366576022 919348036 /nfs/dbraw/zinc/34/80/36/919348036.db2.gz UPUSRXHPTBSFQT-ZDUSSCGKSA-N 2 1 322.413 -1.005 20 0 DAADMP COC[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734430 919371590 /nfs/dbraw/zinc/37/15/90/919371590.db2.gz RVEKWKAJHJLFLL-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734430 919371602 /nfs/dbraw/zinc/37/16/02/919371602.db2.gz RVEKWKAJHJLFLL-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366734430 919371619 /nfs/dbraw/zinc/37/16/19/919371619.db2.gz RVEKWKAJHJLFLL-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366734430 919371637 /nfs/dbraw/zinc/37/16/37/919371637.db2.gz RVEKWKAJHJLFLL-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734440 919374391 /nfs/dbraw/zinc/37/43/91/919374391.db2.gz RVEKWKAJHJLFLL-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734440 919374406 /nfs/dbraw/zinc/37/44/06/919374406.db2.gz RVEKWKAJHJLFLL-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366734440 919374418 /nfs/dbraw/zinc/37/44/18/919374418.db2.gz RVEKWKAJHJLFLL-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366734440 919374430 /nfs/dbraw/zinc/37/44/30/919374430.db2.gz RVEKWKAJHJLFLL-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001366765109 919378085 /nfs/dbraw/zinc/37/80/85/919378085.db2.gz RXZOFUMQVGYLFX-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366759790 919379226 /nfs/dbraw/zinc/37/92/26/919379226.db2.gz HISCIAFEEGFBTC-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366759790 919379240 /nfs/dbraw/zinc/37/92/40/919379240.db2.gz HISCIAFEEGFBTC-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(=O)NC ZINC001367140968 919439607 /nfs/dbraw/zinc/43/96/07/919439607.db2.gz OAXMSAUCYTXNAQ-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367371679 919461986 /nfs/dbraw/zinc/46/19/86/919461986.db2.gz CXSVAGVYCIUSKM-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367586826 919498185 /nfs/dbraw/zinc/49/81/85/919498185.db2.gz PLHCSSKRSJAIKK-QWHCGFSZSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367586826 919498198 /nfs/dbraw/zinc/49/81/98/919498198.db2.gz PLHCSSKRSJAIKK-QWHCGFSZSA-N 2 1 311.386 -1.683 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585509 919499491 /nfs/dbraw/zinc/49/94/91/919499491.db2.gz NRFVUCBPOGARQP-VXGBXAGGSA-N 2 1 314.386 -2.338 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585509 919499499 /nfs/dbraw/zinc/49/94/99/919499499.db2.gz NRFVUCBPOGARQP-VXGBXAGGSA-N 2 1 314.386 -2.338 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001367600564 919513520 /nfs/dbraw/zinc/51/35/20/919513520.db2.gz LWPSEXVBFKJVLW-GFCCVEGCSA-N 2 1 310.402 -1.276 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622817 919536776 /nfs/dbraw/zinc/53/67/76/919536776.db2.gz HYYFSBAYTSWHLR-PWSUYJOCSA-N 2 1 323.401 -1.474 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622817 919536782 /nfs/dbraw/zinc/53/67/82/919536782.db2.gz HYYFSBAYTSWHLR-PWSUYJOCSA-N 2 1 323.401 -1.474 20 0 DAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367625466 919538997 /nfs/dbraw/zinc/53/89/97/919538997.db2.gz QRZUZVNRIAOFII-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001367626942 919539969 /nfs/dbraw/zinc/53/99/69/919539969.db2.gz XRBCFEHEACKUFF-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367626940 919540147 /nfs/dbraw/zinc/54/01/47/919540147.db2.gz XRBCFEHEACKUFF-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629278 919545225 /nfs/dbraw/zinc/54/52/25/919545225.db2.gz ISYIOALXGKWAID-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629278 919545232 /nfs/dbraw/zinc/54/52/32/919545232.db2.gz ISYIOALXGKWAID-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001367790721 919573778 /nfs/dbraw/zinc/57/37/78/919573778.db2.gz SWBFTXOXZUGDGU-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001367790721 919573793 /nfs/dbraw/zinc/57/37/93/919573793.db2.gz SWBFTXOXZUGDGU-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367790721 919573803 /nfs/dbraw/zinc/57/38/03/919573803.db2.gz SWBFTXOXZUGDGU-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367790721 919573816 /nfs/dbraw/zinc/57/38/16/919573816.db2.gz SWBFTXOXZUGDGU-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001367790726 919575599 /nfs/dbraw/zinc/57/55/99/919575599.db2.gz SWBFTXOXZUGDGU-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001367790726 919575606 /nfs/dbraw/zinc/57/56/06/919575606.db2.gz SWBFTXOXZUGDGU-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367790726 919575615 /nfs/dbraw/zinc/57/56/15/919575615.db2.gz SWBFTXOXZUGDGU-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367790726 919575623 /nfs/dbraw/zinc/57/56/23/919575623.db2.gz SWBFTXOXZUGDGU-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001367988234 919598754 /nfs/dbraw/zinc/59/87/54/919598754.db2.gz AILGBAQVKFEROR-NWDGAFQWSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001367988234 919598769 /nfs/dbraw/zinc/59/87/69/919598769.db2.gz AILGBAQVKFEROR-NWDGAFQWSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001367988235 919600515 /nfs/dbraw/zinc/60/05/15/919600515.db2.gz AILGBAQVKFEROR-RYUDHWBXSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001367988235 919600524 /nfs/dbraw/zinc/60/05/24/919600524.db2.gz AILGBAQVKFEROR-RYUDHWBXSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001367988233 919600884 /nfs/dbraw/zinc/60/08/84/919600884.db2.gz AILGBAQVKFEROR-NEPJUHHUSA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001367988233 919600894 /nfs/dbraw/zinc/60/08/94/919600894.db2.gz AILGBAQVKFEROR-NEPJUHHUSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368012679 919603889 /nfs/dbraw/zinc/60/38/89/919603889.db2.gz JSIHPGFZGBSILM-SNVBAGLBSA-N 2 1 311.386 -1.096 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(NCc3nnnn3C)CC2)C1 ZINC001368043723 919608327 /nfs/dbraw/zinc/60/83/27/919608327.db2.gz BRAAEFZWTKWMIE-NSHDSACASA-N 2 1 323.401 -1.331 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(NCc3nnnn3C)CC2)C1 ZINC001368043723 919608338 /nfs/dbraw/zinc/60/83/38/919608338.db2.gz BRAAEFZWTKWMIE-NSHDSACASA-N 2 1 323.401 -1.331 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001368273072 919655762 /nfs/dbraw/zinc/65/57/62/919655762.db2.gz BWBRCCWLEIGTCV-OAHLLOKOSA-N 2 1 312.414 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001368273072 919655769 /nfs/dbraw/zinc/65/57/69/919655769.db2.gz BWBRCCWLEIGTCV-OAHLLOKOSA-N 2 1 312.414 -1.099 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001368415395 919717153 /nfs/dbraw/zinc/71/71/53/919717153.db2.gz UITOLZZHDCIDTF-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001368403508 919720070 /nfs/dbraw/zinc/72/00/70/919720070.db2.gz YXBSXKSONXSBKB-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508306 919731655 /nfs/dbraw/zinc/73/16/55/919731655.db2.gz GODYNVMNVKKONN-NEPJUHHUSA-N 2 1 314.386 -1.991 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508306 919731664 /nfs/dbraw/zinc/73/16/64/919731664.db2.gz GODYNVMNVKKONN-NEPJUHHUSA-N 2 1 314.386 -1.991 20 0 DAADMP CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001368729124 919766675 /nfs/dbraw/zinc/76/66/75/919766675.db2.gz KCZPAYPIDAMQJS-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001368729124 919766692 /nfs/dbraw/zinc/76/66/92/919766692.db2.gz KCZPAYPIDAMQJS-ZDUSSCGKSA-N 2 1 314.430 -1.031 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368902607 919786660 /nfs/dbraw/zinc/78/66/60/919786660.db2.gz DRGOZSLPUHSMBS-DTWKUNHWSA-N 2 1 310.358 -1.131 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001369171898 919826614 /nfs/dbraw/zinc/82/66/14/919826614.db2.gz WBPLEQHLICNAHE-AVGNSLFASA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001369171898 919826615 /nfs/dbraw/zinc/82/66/15/919826615.db2.gz WBPLEQHLICNAHE-AVGNSLFASA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001369293912 919838916 /nfs/dbraw/zinc/83/89/16/919838916.db2.gz WBXONZCEYCUXMD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001369326270 919859757 /nfs/dbraw/zinc/85/97/57/919859757.db2.gz TXPOYHUKCDEFEM-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001369325420 919859855 /nfs/dbraw/zinc/85/98/55/919859855.db2.gz RFLABYQTLYQYQW-NSHDSACASA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001369325420 919859869 /nfs/dbraw/zinc/85/98/69/919859869.db2.gz RFLABYQTLYQYQW-NSHDSACASA-N 2 1 310.402 -1.134 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369330747 919866258 /nfs/dbraw/zinc/86/62/58/919866258.db2.gz XXCKTBVRNUXVRE-IJLUTSLNSA-N 2 1 300.403 -1.471 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001369340941 919879702 /nfs/dbraw/zinc/87/97/02/919879702.db2.gz IMENBCCGIYBDFR-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001369340941 919879716 /nfs/dbraw/zinc/87/97/16/919879716.db2.gz IMENBCCGIYBDFR-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001369340951 919881029 /nfs/dbraw/zinc/88/10/29/919881029.db2.gz IMENBCCGIYBDFR-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001369340951 919881035 /nfs/dbraw/zinc/88/10/35/919881035.db2.gz IMENBCCGIYBDFR-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001369360503 919894865 /nfs/dbraw/zinc/89/48/65/919894865.db2.gz IALPYPOYZCLNMX-HZMBPMFUSA-N 2 1 318.393 -1.249 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001369370771 919907561 /nfs/dbraw/zinc/90/75/61/919907561.db2.gz FIJCZCZESPBWAU-NWDGAFQWSA-N 2 1 302.419 -1.130 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001369482372 919958511 /nfs/dbraw/zinc/95/85/11/919958511.db2.gz JRGBIIZDIUPYJC-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001369489334 919962433 /nfs/dbraw/zinc/96/24/33/919962433.db2.gz ZTCVARKVYNXQEZ-JQWIXIFHSA-N 2 1 311.386 -1.265 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369499022 919967007 /nfs/dbraw/zinc/96/70/07/919967007.db2.gz QBMSWVRTEOCNOH-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001369499022 919967011 /nfs/dbraw/zinc/96/70/11/919967011.db2.gz QBMSWVRTEOCNOH-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369499022 919967018 /nfs/dbraw/zinc/96/70/18/919967018.db2.gz QBMSWVRTEOCNOH-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369499022 919967025 /nfs/dbraw/zinc/96/70/25/919967025.db2.gz QBMSWVRTEOCNOH-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001370236262 920047114 /nfs/dbraw/zinc/04/71/14/920047114.db2.gz QIUHCSGGWBAHSK-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370382456 920056683 /nfs/dbraw/zinc/05/66/83/920056683.db2.gz UFIRGVZWADUTMK-JTQLQIEISA-N 2 1 308.342 -1.423 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001370444038 920059311 /nfs/dbraw/zinc/05/93/11/920059311.db2.gz WOTXZJVIFUJWBX-SRVKXCTJSA-N 2 1 319.427 -1.402 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001370444038 920059327 /nfs/dbraw/zinc/05/93/27/920059327.db2.gz WOTXZJVIFUJWBX-SRVKXCTJSA-N 2 1 319.427 -1.402 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370696769 920127383 /nfs/dbraw/zinc/12/73/83/920127383.db2.gz LLQSMPUQHYNWSK-HZSPNIEDSA-N 2 1 315.414 -1.047 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370709689 920136451 /nfs/dbraw/zinc/13/64/51/920136451.db2.gz VKDKDNLULHUWPL-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001370753050 920157753 /nfs/dbraw/zinc/15/77/53/920157753.db2.gz CIBSNPOLMSXBQT-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001371473836 920266928 /nfs/dbraw/zinc/26/69/28/920266928.db2.gz OMDDTNYLSMCCLW-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478604 920270254 /nfs/dbraw/zinc/27/02/54/920270254.db2.gz UBXVQXXCAZAUHG-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478604 920270269 /nfs/dbraw/zinc/27/02/69/920270269.db2.gz UBXVQXXCAZAUHG-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005827 920577645 /nfs/dbraw/zinc/57/76/45/920577645.db2.gz NRXKSQFZAYPDGV-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005827 920577654 /nfs/dbraw/zinc/57/76/54/920577654.db2.gz NRXKSQFZAYPDGV-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556237 920615710 /nfs/dbraw/zinc/61/57/10/920615710.db2.gz REYBGYSJPOPWGV-QWRGUYRKSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001374556237 920615717 /nfs/dbraw/zinc/61/57/17/920615717.db2.gz REYBGYSJPOPWGV-QWRGUYRKSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556237 920615724 /nfs/dbraw/zinc/61/57/24/920615724.db2.gz REYBGYSJPOPWGV-QWRGUYRKSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556237 920615729 /nfs/dbraw/zinc/61/57/29/920615729.db2.gz REYBGYSJPOPWGV-QWRGUYRKSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001374604203 920638605 /nfs/dbraw/zinc/63/86/05/920638605.db2.gz KAPUOQNJPOCSAR-RAIGVLPGSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001374604203 920638614 /nfs/dbraw/zinc/63/86/14/920638614.db2.gz KAPUOQNJPOCSAR-RAIGVLPGSA-N 2 1 310.402 -1.278 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374618322 920650634 /nfs/dbraw/zinc/65/06/34/920650634.db2.gz YAJNRODHXHRKPW-YPMHNXCESA-N 2 1 312.418 -1.032 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374627602 920656794 /nfs/dbraw/zinc/65/67/94/920656794.db2.gz DQICHAXMJGYWLO-VXGBXAGGSA-N 2 1 309.370 -1.463 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374674940 920687907 /nfs/dbraw/zinc/68/79/07/920687907.db2.gz SOAGWDVFCSRURD-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001374686093 920693836 /nfs/dbraw/zinc/69/38/36/920693836.db2.gz SBPUFPRMWTWNLB-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375093438 920747413 /nfs/dbraw/zinc/74/74/13/920747413.db2.gz KGJGAPKDRASUOZ-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375093438 920747424 /nfs/dbraw/zinc/74/74/24/920747424.db2.gz KGJGAPKDRASUOZ-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375407157 920774492 /nfs/dbraw/zinc/77/44/92/920774492.db2.gz ZQCJKFAUQGIRRV-SECBINFHSA-N 2 1 313.358 -2.250 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375407157 920774503 /nfs/dbraw/zinc/77/45/03/920774503.db2.gz ZQCJKFAUQGIRRV-SECBINFHSA-N 2 1 313.358 -2.250 20 0 DAADMP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376003281 920819116 /nfs/dbraw/zinc/81/91/16/920819116.db2.gz ITOYIXBKCFFSIV-GXTWGEPZSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376003281 920819129 /nfs/dbraw/zinc/81/91/29/920819129.db2.gz ITOYIXBKCFFSIV-GXTWGEPZSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376003281 920819139 /nfs/dbraw/zinc/81/91/39/920819139.db2.gz ITOYIXBKCFFSIV-GXTWGEPZSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376003281 920819148 /nfs/dbraw/zinc/81/91/48/920819148.db2.gz ITOYIXBKCFFSIV-GXTWGEPZSA-N 2 1 301.387 -1.484 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001376085015 920847225 /nfs/dbraw/zinc/84/72/25/920847225.db2.gz BKWQGBUJHUPQAE-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001376085015 920847238 /nfs/dbraw/zinc/84/72/38/920847238.db2.gz BKWQGBUJHUPQAE-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376085015 920847243 /nfs/dbraw/zinc/84/72/43/920847243.db2.gz BKWQGBUJHUPQAE-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376085015 920847252 /nfs/dbraw/zinc/84/72/52/920847252.db2.gz BKWQGBUJHUPQAE-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505643 920960227 /nfs/dbraw/zinc/96/02/27/920960227.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@]2(CO)CCCN(CCO)C2)C1 ZINC001376505643 920960239 /nfs/dbraw/zinc/96/02/39/920960239.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505646 920961291 /nfs/dbraw/zinc/96/12/91/920961291.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@]2(CO)CCCN(CCO)C2)C1 ZINC001376505646 920961302 /nfs/dbraw/zinc/96/13/02/920961302.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376625184 920997139 /nfs/dbraw/zinc/99/71/39/920997139.db2.gz IGOFEOAVHRDTFN-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376625184 920997156 /nfs/dbraw/zinc/99/71/56/920997156.db2.gz IGOFEOAVHRDTFN-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001376720553 921018742 /nfs/dbraw/zinc/01/87/42/921018742.db2.gz BKZOUDFEFSNOEO-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001376720553 921018754 /nfs/dbraw/zinc/01/87/54/921018754.db2.gz BKZOUDFEFSNOEO-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001376720552 921018936 /nfs/dbraw/zinc/01/89/36/921018936.db2.gz BKZOUDFEFSNOEO-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001376720552 921018951 /nfs/dbraw/zinc/01/89/51/921018951.db2.gz BKZOUDFEFSNOEO-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377471685 921824203 /nfs/dbraw/zinc/82/42/03/921824203.db2.gz WJGSHDRZZPXEDU-LLVKDONJSA-N 2 1 323.397 -1.285 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001377592193 921842000 /nfs/dbraw/zinc/84/20/00/921842000.db2.gz UCGYHRLLDSXHBE-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230692 921935058 /nfs/dbraw/zinc/93/50/58/921935058.db2.gz JAVHWVXCMRFWME-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230692 921935064 /nfs/dbraw/zinc/93/50/64/921935064.db2.gz JAVHWVXCMRFWME-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001378753590 922003318 /nfs/dbraw/zinc/00/33/18/922003318.db2.gz DQOYDZJBWXCCHN-RYUDHWBXSA-N 2 1 309.370 -1.118 20 0 DAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCC[NH+](C)C ZINC001379089189 922032401 /nfs/dbraw/zinc/03/24/01/922032401.db2.gz NQGQFWTZOXXTPH-UHFFFAOYSA-N 2 1 301.391 -1.087 20 0 DAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCC[NH+](C)C ZINC001379089189 922032408 /nfs/dbraw/zinc/03/24/08/922032408.db2.gz NQGQFWTZOXXTPH-UHFFFAOYSA-N 2 1 301.391 -1.087 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001379206503 922070790 /nfs/dbraw/zinc/07/07/90/922070790.db2.gz ODECZFPZFBALPQ-QWHCGFSZSA-N 2 1 312.414 -1.184 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001379208863 922074817 /nfs/dbraw/zinc/07/48/17/922074817.db2.gz UAOISUYWBZMKIJ-ZDUSSCGKSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001379241043 922092598 /nfs/dbraw/zinc/09/25/98/922092598.db2.gz JPBWEGQIDMNYFT-QWRGUYRKSA-N 2 1 302.419 -1.095 20 0 DAADMP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001379239524 922093783 /nfs/dbraw/zinc/09/37/83/922093783.db2.gz WSTLARVQVKRYII-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379258936 922104101 /nfs/dbraw/zinc/10/41/01/922104101.db2.gz NHBUDPULMZLTDF-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001379410089 922162699 /nfs/dbraw/zinc/16/26/99/922162699.db2.gz KADCQCFNQSCIJG-WCQYABFASA-N 2 1 312.414 -1.184 20 0 DAADMP CCn1cc(CN[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001379465065 922184512 /nfs/dbraw/zinc/18/45/12/922184512.db2.gz NAVLHIIJKPVXHB-QWHCGFSZSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(CN[C@H](CO)CNC(=O)[C@H]2CCCN2C)nn1 ZINC001379465065 922184523 /nfs/dbraw/zinc/18/45/23/922184523.db2.gz NAVLHIIJKPVXHB-QWHCGFSZSA-N 2 1 310.402 -1.041 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379473864 922192982 /nfs/dbraw/zinc/19/29/82/922192982.db2.gz COYHCVCNWJUPRL-OLZOCXBDSA-N 2 1 310.402 -1.313 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379503896 922206712 /nfs/dbraw/zinc/20/67/12/922206712.db2.gz JHOIVVJGNMQACZ-STQMWFEESA-N 2 1 310.402 -1.313 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001379593387 922233652 /nfs/dbraw/zinc/23/36/52/922233652.db2.gz NBOKJIQZLVPSRH-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001379593387 922233673 /nfs/dbraw/zinc/23/36/73/922233673.db2.gz NBOKJIQZLVPSRH-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379759559 922253208 /nfs/dbraw/zinc/25/32/08/922253208.db2.gz POKDOMCEMZZXDJ-QWRGUYRKSA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379759559 922253221 /nfs/dbraw/zinc/25/32/21/922253221.db2.gz POKDOMCEMZZXDJ-QWRGUYRKSA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379761695 922253546 /nfs/dbraw/zinc/25/35/46/922253546.db2.gz RWKJHOIZHVDWCT-OLZOCXBDSA-N 2 1 312.414 -1.232 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379815353 922270483 /nfs/dbraw/zinc/27/04/83/922270483.db2.gz OBGMKARTSFEEGL-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379838030 922275789 /nfs/dbraw/zinc/27/57/89/922275789.db2.gz VYWLPRLERCKSBU-CHWSQXEVSA-N 2 1 314.430 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CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379972941 922309330 /nfs/dbraw/zinc/30/93/30/922309330.db2.gz PJCOOFDRVRNMPO-VXGBXAGGSA-N 2 1 302.419 -1.049 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379972941 922309341 /nfs/dbraw/zinc/30/93/41/922309341.db2.gz PJCOOFDRVRNMPO-VXGBXAGGSA-N 2 1 302.419 -1.049 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001380534349 922371018 /nfs/dbraw/zinc/37/10/18/922371018.db2.gz FILHVIMTVWSJAW-BXUZGUMPSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001380534349 922371028 /nfs/dbraw/zinc/37/10/28/922371028.db2.gz FILHVIMTVWSJAW-BXUZGUMPSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566113 922391971 /nfs/dbraw/zinc/39/19/71/922391971.db2.gz PGMIITBIRSYSOL-WBMJQRKESA-N 2 1 324.425 -1.101 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001380568615 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ZINC001382438091 922751729 /nfs/dbraw/zinc/75/17/29/922751729.db2.gz DDCFSJNRWPFRHK-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382444902 922758448 /nfs/dbraw/zinc/75/84/48/922758448.db2.gz POGFGDJYENUZOE-DGCLKSJQSA-N 2 1 310.402 -1.324 20 0 DAADMP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001382463155 922769789 /nfs/dbraw/zinc/76/97/89/922769789.db2.gz PCOJSHWHHBXGLM-AAEUAGOBSA-N 2 1 302.419 -1.191 20 0 DAADMP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001382463155 922769799 /nfs/dbraw/zinc/76/97/99/922769799.db2.gz PCOJSHWHHBXGLM-AAEUAGOBSA-N 2 1 302.419 -1.191 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1 ZINC001382633239 922826283 /nfs/dbraw/zinc/82/62/83/922826283.db2.gz UJTYYALZMSUBIF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001383901153 922965950 /nfs/dbraw/zinc/96/59/50/922965950.db2.gz YWXOGDHJGWTJPE-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001383923146 922975505 /nfs/dbraw/zinc/97/55/05/922975505.db2.gz CYXSRMOEKCMFHF-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383923146 922975517 /nfs/dbraw/zinc/97/55/17/922975517.db2.gz CYXSRMOEKCMFHF-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383923146 922975527 /nfs/dbraw/zinc/97/55/27/922975527.db2.gz CYXSRMOEKCMFHF-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001385258041 923159621 /nfs/dbraw/zinc/15/96/21/923159621.db2.gz UNPUBZJMSFMPMB-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001385258041 923159630 /nfs/dbraw/zinc/15/96/30/923159630.db2.gz UNPUBZJMSFMPMB-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001385258036 923159907 /nfs/dbraw/zinc/15/99/07/923159907.db2.gz UNPUBZJMSFMPMB-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001385258036 923159910 /nfs/dbraw/zinc/15/99/10/923159910.db2.gz UNPUBZJMSFMPMB-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001387769720 923418103 /nfs/dbraw/zinc/41/81/03/923418103.db2.gz BOBHECJPXNEBMU-CHWSQXEVSA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001387769720 923418116 /nfs/dbraw/zinc/41/81/16/923418116.db2.gz BOBHECJPXNEBMU-CHWSQXEVSA-N 2 1 312.414 -1.016 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001389798231 923680371 /nfs/dbraw/zinc/68/03/71/923680371.db2.gz QADHPBKFZOOMAD-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001389947087 923702688 /nfs/dbraw/zinc/70/26/88/923702688.db2.gz GXOUGUFTALFSTP-FRRDWIJNSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001389947087 923702702 /nfs/dbraw/zinc/70/27/02/923702702.db2.gz GXOUGUFTALFSTP-FRRDWIJNSA-N 2 1 310.398 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389970099 923704318 /nfs/dbraw/zinc/70/43/18/923704318.db2.gz ZRGXSAWZDFBFID-OUAUKWLOSA-N 2 1 311.386 -1.227 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001390016417 923710948 /nfs/dbraw/zinc/71/09/48/923710948.db2.gz SMFQVLQMXYKJMH-ZRUFSTJUSA-N 2 1 311.386 -1.242 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001390016383 923711592 /nfs/dbraw/zinc/71/15/92/923711592.db2.gz SMFQVLQMXYKJMH-XWLWVQCSSA-N 2 1 311.386 -1.242 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391092956 923804369 /nfs/dbraw/zinc/80/43/69/923804369.db2.gz OEYAFIFYHHQBLQ-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391092959 923804499 /nfs/dbraw/zinc/80/44/99/923804499.db2.gz OEYAFIFYHHQBLQ-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001391515232 923850408 /nfs/dbraw/zinc/85/04/08/923850408.db2.gz NNDGELFZROLGRJ-LBPRGKRZSA-N 2 1 318.443 -1.465 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880277 923879912 /nfs/dbraw/zinc/87/99/12/923879912.db2.gz CKMUQJHJZTWTQX-RYUDHWBXSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880277 923879920 /nfs/dbraw/zinc/87/99/20/923879920.db2.gz CKMUQJHJZTWTQX-RYUDHWBXSA-N 2 1 300.403 -1.253 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001391937751 923886341 /nfs/dbraw/zinc/88/63/41/923886341.db2.gz FWHPGCZZQRTIKI-GFCCVEGCSA-N 2 1 300.403 -1.203 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392096283 923931671 /nfs/dbraw/zinc/93/16/71/923931671.db2.gz DBJDEQOBZVNRRW-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392096283 923931684 /nfs/dbraw/zinc/93/16/84/923931684.db2.gz DBJDEQOBZVNRRW-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392149749 923945101 /nfs/dbraw/zinc/94/51/01/923945101.db2.gz ZHKOOHGJQZANLR-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392368418 923983001 /nfs/dbraw/zinc/98/30/01/923983001.db2.gz VFWRMUKFOBQSAS-VXGBXAGGSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392368418 923983012 /nfs/dbraw/zinc/98/30/12/923983012.db2.gz VFWRMUKFOBQSAS-VXGBXAGGSA-N 2 1 310.402 -1.041 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389792 924002004 /nfs/dbraw/zinc/00/20/04/924002004.db2.gz OZIIKRYTVAUBJB-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401565 924011929 /nfs/dbraw/zinc/01/19/29/924011929.db2.gz MDUMNSAOZXBQSC-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401565 924011937 /nfs/dbraw/zinc/01/19/37/924011937.db2.gz MDUMNSAOZXBQSC-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392403332 924013691 /nfs/dbraw/zinc/01/36/91/924013691.db2.gz UXUWSAWCIXWQHD-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001392420494 924024241 /nfs/dbraw/zinc/02/42/41/924024241.db2.gz HIMAYLYJOKGLHO-VHSXEESVSA-N 2 1 315.374 -2.410 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001392420483 924024486 /nfs/dbraw/zinc/02/44/86/924024486.db2.gz HIMAYLYJOKGLHO-NXEZZACHSA-N 2 1 315.374 -2.410 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392417068 924025293 /nfs/dbraw/zinc/02/52/93/924025293.db2.gz BXOXBXVFJHNLKD-WDEREUQCSA-N 2 1 311.390 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392417068 924025307 /nfs/dbraw/zinc/02/53/07/924025307.db2.gz BXOXBXVFJHNLKD-WDEREUQCSA-N 2 1 311.390 -1.881 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392427017 924028589 /nfs/dbraw/zinc/02/85/89/924028589.db2.gz SLRLKXQNPOQSJZ-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001392615940 924056036 /nfs/dbraw/zinc/05/60/36/924056036.db2.gz ATKMVARVCRTQGU-YNEHKIRRSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001392615940 924056045 /nfs/dbraw/zinc/05/60/45/924056045.db2.gz ATKMVARVCRTQGU-YNEHKIRRSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001392620414 924058893 /nfs/dbraw/zinc/05/88/93/924058893.db2.gz VPHXUIMGZKQWJN-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001392620414 924058903 /nfs/dbraw/zinc/05/89/03/924058903.db2.gz VPHXUIMGZKQWJN-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392690872 924064424 /nfs/dbraw/zinc/06/44/24/924064424.db2.gz RNYBUIWUHFIBIE-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392690872 924064435 /nfs/dbraw/zinc/06/44/35/924064435.db2.gz RNYBUIWUHFIBIE-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001392689510 924067552 /nfs/dbraw/zinc/06/75/52/924067552.db2.gz NKSMAYFJGYUOMX-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001392689510 924067560 /nfs/dbraw/zinc/06/75/60/924067560.db2.gz NKSMAYFJGYUOMX-SNVBAGLBSA-N 2 1 301.391 -1.170 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001393250108 924136236 /nfs/dbraw/zinc/13/62/36/924136236.db2.gz SEQHXRUZMPGUEX-MRXNPFEDSA-N 2 1 324.425 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001393250108 924136242 /nfs/dbraw/zinc/13/62/42/924136242.db2.gz SEQHXRUZMPGUEX-MRXNPFEDSA-N 2 1 324.425 -1.099 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393272504 924144132 /nfs/dbraw/zinc/14/41/32/924144132.db2.gz CZQIMJFFFOCLPO-CZUORRHYSA-N 2 1 324.425 -1.086 20 0 DAADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278184 924147265 /nfs/dbraw/zinc/14/72/65/924147265.db2.gz RDXUFEOONIOPPU-DOMZBBRYSA-N 2 1 314.430 -1.032 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393275194 924148750 /nfs/dbraw/zinc/14/87/50/924148750.db2.gz MDMFQYHTLCSPEO-OCCSQVGLSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393276890 924149203 /nfs/dbraw/zinc/14/92/03/924149203.db2.gz PEJRDOKETVVILM-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393276890 924149215 /nfs/dbraw/zinc/14/92/15/924149215.db2.gz PEJRDOKETVVILM-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393281478 924151657 /nfs/dbraw/zinc/15/16/57/924151657.db2.gz MZPTWAJHSPECNJ-AWEZNQCLSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393281478 924151662 /nfs/dbraw/zinc/15/16/62/924151662.db2.gz MZPTWAJHSPECNJ-AWEZNQCLSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393281478 924151670 /nfs/dbraw/zinc/15/16/70/924151670.db2.gz MZPTWAJHSPECNJ-AWEZNQCLSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393281478 924151676 /nfs/dbraw/zinc/15/16/76/924151676.db2.gz MZPTWAJHSPECNJ-AWEZNQCLSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001393288587 924155283 /nfs/dbraw/zinc/15/52/83/924155283.db2.gz ISOYMMTZKQFOOF-JSGCOSHPSA-N 2 1 300.403 -1.389 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001393288587 924155289 /nfs/dbraw/zinc/15/52/89/924155289.db2.gz ISOYMMTZKQFOOF-JSGCOSHPSA-N 2 1 300.403 -1.389 20 0 DAADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001393398306 924194768 /nfs/dbraw/zinc/19/47/68/924194768.db2.gz SSYKLKCLVDTIOP-QWHCGFSZSA-N 2 1 312.414 -1.122 20 0 DAADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001393452032 924204932 /nfs/dbraw/zinc/20/49/32/924204932.db2.gz BPSSWVBFTWLAOU-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001393452032 924204944 /nfs/dbraw/zinc/20/49/44/924204944.db2.gz BPSSWVBFTWLAOU-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001393452034 924206925 /nfs/dbraw/zinc/20/69/25/924206925.db2.gz BPSSWVBFTWLAOU-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001393452034 924206938 /nfs/dbraw/zinc/20/69/38/924206938.db2.gz BPSSWVBFTWLAOU-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393457119 924210016 /nfs/dbraw/zinc/21/00/16/924210016.db2.gz VJQOLCROEYIUGJ-HIFRSBDPSA-N 2 1 317.430 -1.112 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001393469720 924213560 /nfs/dbraw/zinc/21/35/60/924213560.db2.gz ZPAWESRNMUBPNA-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001393582260 924229647 /nfs/dbraw/zinc/22/96/47/924229647.db2.gz FGRGAMUKSWALMR-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001393582005 924230661 /nfs/dbraw/zinc/23/06/61/924230661.db2.gz GVBWTJRJAIUVRS-PWSUYJOCSA-N 2 1 309.370 -1.118 20 0 DAADMP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001393583600 924231693 /nfs/dbraw/zinc/23/16/93/924231693.db2.gz KCGJKAFMEZYKPX-LBPRGKRZSA-N 2 1 314.386 -1.989 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001393776909 924255880 /nfs/dbraw/zinc/25/58/80/924255880.db2.gz NGFHJVUDJDIBRL-UHFFFAOYSA-N 2 1 309.370 -1.380 20 0 DAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115209 924279231 /nfs/dbraw/zinc/27/92/31/924279231.db2.gz UCLIJPPHGSJMCZ-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115209 924279242 /nfs/dbraw/zinc/27/92/42/924279242.db2.gz UCLIJPPHGSJMCZ-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394115209 924279250 /nfs/dbraw/zinc/27/92/50/924279250.db2.gz UCLIJPPHGSJMCZ-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394115209 924279257 /nfs/dbraw/zinc/27/92/57/924279257.db2.gz UCLIJPPHGSJMCZ-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001394136070 924282695 /nfs/dbraw/zinc/28/26/95/924282695.db2.gz MKCAPOBZZFFVKM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001394136070 924282704 /nfs/dbraw/zinc/28/27/04/924282704.db2.gz MKCAPOBZZFFVKM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394136070 924282712 /nfs/dbraw/zinc/28/27/12/924282712.db2.gz MKCAPOBZZFFVKM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394136070 924282720 /nfs/dbraw/zinc/28/27/20/924282720.db2.gz MKCAPOBZZFFVKM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001394256765 924292757 /nfs/dbraw/zinc/29/27/57/924292757.db2.gz WVZVDVFMMORRET-NXEZZACHSA-N 2 1 313.402 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558879 924307004 /nfs/dbraw/zinc/30/70/04/924307004.db2.gz FBLNQQXKRZRFES-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001394558879 924307013 /nfs/dbraw/zinc/30/70/13/924307013.db2.gz FBLNQQXKRZRFES-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571616 924310938 /nfs/dbraw/zinc/31/09/38/924310938.db2.gz LIACVJHVXSKUIV-RYUDHWBXSA-N 2 1 312.374 -2.325 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571616 924310946 /nfs/dbraw/zinc/31/09/46/924310946.db2.gz LIACVJHVXSKUIV-RYUDHWBXSA-N 2 1 312.374 -2.325 20 0 DAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001394590367 924327077 /nfs/dbraw/zinc/32/70/77/924327077.db2.gz IURMFQWCNNQNRA-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001394590367 924327083 /nfs/dbraw/zinc/32/70/83/924327083.db2.gz IURMFQWCNNQNRA-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001394590371 924328703 /nfs/dbraw/zinc/32/87/03/924328703.db2.gz IURMFQWCNNQNRA-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001394590371 924328712 /nfs/dbraw/zinc/32/87/12/924328712.db2.gz IURMFQWCNNQNRA-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394601003 924332012 /nfs/dbraw/zinc/33/20/12/924332012.db2.gz COECFEIBFRFFBX-NSHDSACASA-N 2 1 310.402 -1.134 20 0 DAADMP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001394606073 924333147 /nfs/dbraw/zinc/33/31/47/924333147.db2.gz PEIFWPMYCSUYHG-STQMWFEESA-N 2 1 324.425 -1.088 20 0 DAADMP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001394606066 924333730 /nfs/dbraw/zinc/33/37/30/924333730.db2.gz PEIFWPMYCSUYHG-OLZOCXBDSA-N 2 1 324.425 -1.088 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394730353 924365649 /nfs/dbraw/zinc/36/56/49/924365649.db2.gz KXALRBPRGVZYAP-STQMWFEESA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394730353 924365659 /nfs/dbraw/zinc/36/56/59/924365659.db2.gz KXALRBPRGVZYAP-STQMWFEESA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394732189 924368095 /nfs/dbraw/zinc/36/80/95/924368095.db2.gz RDAIBQMBMLKDDK-OLZOCXBDSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394732189 924368099 /nfs/dbraw/zinc/36/80/99/924368099.db2.gz RDAIBQMBMLKDDK-OLZOCXBDSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001394759396 924380930 /nfs/dbraw/zinc/38/09/30/924380930.db2.gz SYMSTXQCZPDYPY-GFCCVEGCSA-N 2 1 322.413 -1.180 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786344 924387771 /nfs/dbraw/zinc/38/77/71/924387771.db2.gz RYOOINPSWWMHTC-DGCLKSJQSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786344 924387776 /nfs/dbraw/zinc/38/77/76/924387776.db2.gz RYOOINPSWWMHTC-DGCLKSJQSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786347 924389743 /nfs/dbraw/zinc/38/97/43/924389743.db2.gz RYOOINPSWWMHTC-WCQYABFASA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786347 924389749 /nfs/dbraw/zinc/38/97/49/924389749.db2.gz RYOOINPSWWMHTC-WCQYABFASA-N 2 1 314.430 -1.047 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001394791407 924390049 /nfs/dbraw/zinc/39/00/49/924390049.db2.gz OPBFNLRBOLBRTF-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001394791407 924390053 /nfs/dbraw/zinc/39/00/53/924390053.db2.gz OPBFNLRBOLBRTF-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001394791407 924390057 /nfs/dbraw/zinc/39/00/57/924390057.db2.gz OPBFNLRBOLBRTF-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001394791407 924390066 /nfs/dbraw/zinc/39/00/66/924390066.db2.gz OPBFNLRBOLBRTF-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC1 ZINC001394787058 924392221 /nfs/dbraw/zinc/39/22/21/924392221.db2.gz PYWFSVYHSRAISV-CYBMUJFWSA-N 2 1 314.430 -1.045 20 0 DAADMP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC1 ZINC001394787058 924392226 /nfs/dbraw/zinc/39/22/26/924392226.db2.gz PYWFSVYHSRAISV-CYBMUJFWSA-N 2 1 314.430 -1.045 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796421 924393746 /nfs/dbraw/zinc/39/37/46/924393746.db2.gz ZADBKDSNLHRSAL-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796422 924393864 /nfs/dbraw/zinc/39/38/64/924393864.db2.gz ZADBKDSNLHRSAL-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001396440964 924528543 /nfs/dbraw/zinc/52/85/43/924528543.db2.gz XRVAUZNCXUWFSD-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001397100507 924556895 /nfs/dbraw/zinc/55/68/95/924556895.db2.gz RVNFXEPHJYNCET-GARJFASQSA-N 2 1 311.386 -1.383 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001397109774 924557346 /nfs/dbraw/zinc/55/73/46/924557346.db2.gz AKNAGWBJJBLFEK-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001397109774 924557353 /nfs/dbraw/zinc/55/73/53/924557353.db2.gz AKNAGWBJJBLFEK-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001397204329 924563152 /nfs/dbraw/zinc/56/31/52/924563152.db2.gz ADJPCKLWFZBZRE-KBPBESRZSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001397204329 924563159 /nfs/dbraw/zinc/56/31/59/924563159.db2.gz ADJPCKLWFZBZRE-KBPBESRZSA-N 2 1 315.414 -1.405 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397612459 924593040 /nfs/dbraw/zinc/59/30/40/924593040.db2.gz JCOLUOVOHPHBHR-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397612459 924593051 /nfs/dbraw/zinc/59/30/51/924593051.db2.gz JCOLUOVOHPHBHR-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304292 924696795 /nfs/dbraw/zinc/69/67/95/924696795.db2.gz OSCVRTOSDHMEIF-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304292 924696808 /nfs/dbraw/zinc/69/68/08/924696808.db2.gz OSCVRTOSDHMEIF-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001399829787 924739649 /nfs/dbraw/zinc/73/96/49/924739649.db2.gz IHEQTUCHOZIHEY-STQMWFEESA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001399862281 924748939 /nfs/dbraw/zinc/74/89/39/924748939.db2.gz OGNWSAIWRXTKRL-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001399862281 924748946 /nfs/dbraw/zinc/74/89/46/924748946.db2.gz OGNWSAIWRXTKRL-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001400088070 924771098 /nfs/dbraw/zinc/77/10/98/924771098.db2.gz PMWVUVSFMDBBAQ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001400088070 924771104 /nfs/dbraw/zinc/77/11/04/924771104.db2.gz PMWVUVSFMDBBAQ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)CN2CCCC2)C1 ZINC001400689864 924823645 /nfs/dbraw/zinc/82/36/45/924823645.db2.gz PFMQXESEUQVXLV-GHMZBOCLSA-N 2 1 311.386 -1.144 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(N)=O ZINC001401108587 924842367 /nfs/dbraw/zinc/84/23/67/924842367.db2.gz RDLWPNCQBBTPNX-HBNTYKKESA-N 2 1 313.402 -1.137 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401123082 924844140 /nfs/dbraw/zinc/84/41/40/924844140.db2.gz IYOCKWOHJHLXGG-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254810 924852864 /nfs/dbraw/zinc/85/28/64/924852864.db2.gz OUTVHBBVERZGPE-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254810 924852870 /nfs/dbraw/zinc/85/28/70/924852870.db2.gz OUTVHBBVERZGPE-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401536776 924877894 /nfs/dbraw/zinc/87/78/94/924877894.db2.gz IZOVHRAKZJYOGG-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401541176 924880792 /nfs/dbraw/zinc/88/07/92/924880792.db2.gz NXOLKQCTNXWTQM-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001401549823 924883658 /nfs/dbraw/zinc/88/36/58/924883658.db2.gz LAYIVRSLDYWUMZ-GFCCVEGCSA-N 2 1 307.358 -1.413 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401562062 924892528 /nfs/dbraw/zinc/89/25/28/924892528.db2.gz TZWZQGIFXUHRIG-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001401581490 924900686 /nfs/dbraw/zinc/90/06/86/924900686.db2.gz KZPDWQYWHJTDBR-DGCLKSJQSA-N 2 1 312.414 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001401581499 924901391 /nfs/dbraw/zinc/90/13/91/924901391.db2.gz KZPDWQYWHJTDBR-YPMHNXCESA-N 2 1 312.414 -1.327 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001401588933 924902870 /nfs/dbraw/zinc/90/28/70/924902870.db2.gz TVMYMGMYINFXSU-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001401588933 924902875 /nfs/dbraw/zinc/90/28/75/924902875.db2.gz TVMYMGMYINFXSU-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001401591926 924904319 /nfs/dbraw/zinc/90/43/19/924904319.db2.gz VXMVXSLCHYUBHU-NEPJUHHUSA-N 2 1 300.403 -1.328 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402268268 924958714 /nfs/dbraw/zinc/95/87/14/924958714.db2.gz PLAJLGNAKBLIKG-ZDUSSCGKSA-N 2 1 315.374 -2.314 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402268268 924958719 /nfs/dbraw/zinc/95/87/19/924958719.db2.gz PLAJLGNAKBLIKG-ZDUSSCGKSA-N 2 1 315.374 -2.314 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402273252 924962475 /nfs/dbraw/zinc/96/24/75/924962475.db2.gz VDYNSZMOWBWMGU-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402273252 924962480 /nfs/dbraw/zinc/96/24/80/924962480.db2.gz VDYNSZMOWBWMGU-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402300871 924968572 /nfs/dbraw/zinc/96/85/72/924968572.db2.gz WAGGWLSVRNXSTP-HNNXBMFYSA-N 2 1 312.414 -1.277 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402300871 924968578 /nfs/dbraw/zinc/96/85/78/924968578.db2.gz WAGGWLSVRNXSTP-HNNXBMFYSA-N 2 1 312.414 -1.277 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC001402467319 925001853 /nfs/dbraw/zinc/00/18/53/925001853.db2.gz NXZJOKGHSAWLSM-JHJVBQTASA-N 2 1 312.414 -1.374 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001402512518 925007314 /nfs/dbraw/zinc/00/73/14/925007314.db2.gz JENSESXMGHYYOW-DCAQKATOSA-N 2 1 311.386 -1.098 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001402595886 925016218 /nfs/dbraw/zinc/01/62/18/925016218.db2.gz KONJVIRXFFXPNO-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402670068 925022110 /nfs/dbraw/zinc/02/21/10/925022110.db2.gz WKKQRCQAXGYCIK-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402670068 925022120 /nfs/dbraw/zinc/02/21/20/925022120.db2.gz WKKQRCQAXGYCIK-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402875102 925035982 /nfs/dbraw/zinc/03/59/82/925035982.db2.gz XUOIMFPKDHLTEG-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402875102 925035992 /nfs/dbraw/zinc/03/59/92/925035992.db2.gz XUOIMFPKDHLTEG-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001402895002 925037288 /nfs/dbraw/zinc/03/72/88/925037288.db2.gz QEDVFJODOVLRBI-LBPRGKRZSA-N 2 1 324.425 -1.101 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001403243469 925067379 /nfs/dbraw/zinc/06/73/79/925067379.db2.gz FWEAEOCCWBNTDT-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360634 925073900 /nfs/dbraw/zinc/07/39/00/925073900.db2.gz OEELJDDONFHQGT-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360634 925073910 /nfs/dbraw/zinc/07/39/10/925073910.db2.gz OEELJDDONFHQGT-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001403697186 925120730 /nfs/dbraw/zinc/12/07/30/925120730.db2.gz AFXINPCGZBLWQP-KBPBESRZSA-N 2 1 315.414 -1.188 20 0 DAADMP Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001403749230 925136760 /nfs/dbraw/zinc/13/67/60/925136760.db2.gz PSKHFCUVVBBYMJ-UONOGXRCSA-N 2 1 309.414 -1.019 20 0 DAADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403765925 925138505 /nfs/dbraw/zinc/13/85/05/925138505.db2.gz CYOJVCILKQWWAX-LLVKDONJSA-N 2 1 306.432 -1.465 20 0 DAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403765925 925138512 /nfs/dbraw/zinc/13/85/12/925138512.db2.gz CYOJVCILKQWWAX-LLVKDONJSA-N 2 1 306.432 -1.465 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001403765925 925138517 /nfs/dbraw/zinc/13/85/17/925138517.db2.gz CYOJVCILKQWWAX-LLVKDONJSA-N 2 1 306.432 -1.465 20 0 DAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403765925 925138522 /nfs/dbraw/zinc/13/85/22/925138522.db2.gz CYOJVCILKQWWAX-LLVKDONJSA-N 2 1 306.432 -1.465 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403826570 925147213 /nfs/dbraw/zinc/14/72/13/925147213.db2.gz BUCXWGDPZKZKSQ-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001403854530 925155940 /nfs/dbraw/zinc/15/59/40/925155940.db2.gz RPVJNQBYIVSRON-NWDGAFQWSA-N 2 1 300.403 -1.245 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001403878593 925162086 /nfs/dbraw/zinc/16/20/86/925162086.db2.gz KSNFJNHHOSNXIX-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891265 925164990 /nfs/dbraw/zinc/16/49/90/925164990.db2.gz BVBXGMDQQDTCGQ-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404041505 925180177 /nfs/dbraw/zinc/18/01/77/925180177.db2.gz PCQBLVRBUDYNEN-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404041505 925180186 /nfs/dbraw/zinc/18/01/86/925180186.db2.gz PCQBLVRBUDYNEN-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404041505 925180195 /nfs/dbraw/zinc/18/01/95/925180195.db2.gz PCQBLVRBUDYNEN-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001404306349 925189826 /nfs/dbraw/zinc/18/98/26/925189826.db2.gz ABPIFJDBBZFKMO-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC001405292663 925279081 /nfs/dbraw/zinc/27/90/81/925279081.db2.gz QRRGHUCVNSUKEY-IJLUTSLNSA-N 2 1 323.397 -1.114 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001405291987 925280441 /nfs/dbraw/zinc/28/04/41/925280441.db2.gz WMNKDLAUBTYIPI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405291987 925280445 /nfs/dbraw/zinc/28/04/45/925280445.db2.gz WMNKDLAUBTYIPI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405291987 925280456 /nfs/dbraw/zinc/28/04/56/925280456.db2.gz WMNKDLAUBTYIPI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001405406192 925307454 /nfs/dbraw/zinc/30/74/54/925307454.db2.gz YKEYNZIZVRUONL-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405406192 925307463 /nfs/dbraw/zinc/30/74/63/925307463.db2.gz YKEYNZIZVRUONL-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405406192 925307467 /nfs/dbraw/zinc/30/74/67/925307467.db2.gz YKEYNZIZVRUONL-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405792162 925335138 /nfs/dbraw/zinc/33/51/38/925335138.db2.gz GBQLCWHXAXYWNU-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405792162 925335145 /nfs/dbraw/zinc/33/51/45/925335145.db2.gz GBQLCWHXAXYWNU-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406241658 925372084 /nfs/dbraw/zinc/37/20/84/925372084.db2.gz BMUVGIVOAFAUKC-NXEZZACHSA-N 2 1 300.359 -1.203 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001406245011 925372831 /nfs/dbraw/zinc/37/28/31/925372831.db2.gz NXBOKDWLQAGUFH-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001406245018 925373147 /nfs/dbraw/zinc/37/31/47/925373147.db2.gz NXBOKDWLQAGUFH-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001406253164 925376956 /nfs/dbraw/zinc/37/69/56/925376956.db2.gz WYIQAIKVWOCZOA-OLZOCXBDSA-N 2 1 312.414 -1.055 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001406252550 925377956 /nfs/dbraw/zinc/37/79/56/925377956.db2.gz XUCRRZPMUVPQFB-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001406266466 925385609 /nfs/dbraw/zinc/38/56/09/925385609.db2.gz MKYVKMIBWIXWEI-GHMZBOCLSA-N 2 1 311.386 -1.053 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289626 925396345 /nfs/dbraw/zinc/39/63/45/925396345.db2.gz ONRAQYNBZCQXBS-GHMZBOCLSA-N 2 1 302.375 -2.480 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289626 925396348 /nfs/dbraw/zinc/39/63/48/925396348.db2.gz ONRAQYNBZCQXBS-GHMZBOCLSA-N 2 1 302.375 -2.480 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001406315678 925401167 /nfs/dbraw/zinc/40/11/67/925401167.db2.gz ZFPUPEFYSRSDLC-NEPJUHHUSA-N 2 1 302.419 -1.130 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001406315686 925401872 /nfs/dbraw/zinc/40/18/72/925401872.db2.gz ZFPUPEFYSRSDLC-RYUDHWBXSA-N 2 1 302.419 -1.130 20 0 DAADMP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001406298947 925402025 /nfs/dbraw/zinc/40/20/25/925402025.db2.gz VYUSVSVYIPCLLE-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001406426334 925415164 /nfs/dbraw/zinc/41/51/64/925415164.db2.gz ATKMVARVCRTQGU-AGIUHOORSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001406426334 925415166 /nfs/dbraw/zinc/41/51/66/925415166.db2.gz ATKMVARVCRTQGU-AGIUHOORSA-N 2 1 303.403 -1.191 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001406553321 925422235 /nfs/dbraw/zinc/42/22/35/925422235.db2.gz ASUMMSKGIFRMEF-DTWKUNHWSA-N 2 1 310.358 -1.131 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406709368 925428186 /nfs/dbraw/zinc/42/81/86/925428186.db2.gz UXMYGFYJTGSKJF-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406709368 925428194 /nfs/dbraw/zinc/42/81/94/925428194.db2.gz UXMYGFYJTGSKJF-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406709368 925428201 /nfs/dbraw/zinc/42/82/01/925428201.db2.gz UXMYGFYJTGSKJF-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406709368 925428208 /nfs/dbraw/zinc/42/82/08/925428208.db2.gz UXMYGFYJTGSKJF-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001406693613 925428371 /nfs/dbraw/zinc/42/83/71/925428371.db2.gz MQUBUBXULULJJO-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001406693613 925428378 /nfs/dbraw/zinc/42/83/78/925428378.db2.gz MQUBUBXULULJJO-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406693613 925428381 /nfs/dbraw/zinc/42/83/81/925428381.db2.gz MQUBUBXULULJJO-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406693613 925428389 /nfs/dbraw/zinc/42/83/89/925428389.db2.gz MQUBUBXULULJJO-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001406904134 925443647 /nfs/dbraw/zinc/44/36/47/925443647.db2.gz DWLIZNGAALETGS-NWDGAFQWSA-N 2 1 301.387 -1.437 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001406904134 925443655 /nfs/dbraw/zinc/44/36/55/925443655.db2.gz DWLIZNGAALETGS-NWDGAFQWSA-N 2 1 301.387 -1.437 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001407115841 925453234 /nfs/dbraw/zinc/45/32/34/925453234.db2.gz SSGRMABIFWWTLD-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186396 925458764 /nfs/dbraw/zinc/45/87/64/925458764.db2.gz TUVGJPDTOQKBAA-HZMBPMFUSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186396 925458771 /nfs/dbraw/zinc/45/87/71/925458771.db2.gz TUVGJPDTOQKBAA-HZMBPMFUSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186396 925458778 /nfs/dbraw/zinc/45/87/78/925458778.db2.gz TUVGJPDTOQKBAA-HZMBPMFUSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186396 925458786 /nfs/dbraw/zinc/45/87/86/925458786.db2.gz TUVGJPDTOQKBAA-HZMBPMFUSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407227666 925460453 /nfs/dbraw/zinc/46/04/53/925460453.db2.gz HXLDIQGWKWHYAZ-IUODEOHRSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407227666 925460459 /nfs/dbraw/zinc/46/04/59/925460459.db2.gz HXLDIQGWKWHYAZ-IUODEOHRSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001407368365 925473386 /nfs/dbraw/zinc/47/33/86/925473386.db2.gz SAQCECVCITVMRH-HUBLWGQQSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001407368365 925473390 /nfs/dbraw/zinc/47/33/90/925473390.db2.gz SAQCECVCITVMRH-HUBLWGQQSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001407368365 925473394 /nfs/dbraw/zinc/47/33/94/925473394.db2.gz SAQCECVCITVMRH-HUBLWGQQSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001407368365 925473398 /nfs/dbraw/zinc/47/33/98/925473398.db2.gz SAQCECVCITVMRH-HUBLWGQQSA-N 2 1 312.414 -1.245 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380321 925474901 /nfs/dbraw/zinc/47/49/01/925474901.db2.gz DVADEELFIVADMR-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380321 925474908 /nfs/dbraw/zinc/47/49/08/925474908.db2.gz DVADEELFIVADMR-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380321 925474915 /nfs/dbraw/zinc/47/49/15/925474915.db2.gz DVADEELFIVADMR-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380321 925474922 /nfs/dbraw/zinc/47/49/22/925474922.db2.gz DVADEELFIVADMR-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001407570173 925506719 /nfs/dbraw/zinc/50/67/19/925506719.db2.gz LFSUIZNBANICMG-TXEJJXNPSA-N 2 1 323.397 -1.333 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001407664487 925517430 /nfs/dbraw/zinc/51/74/30/925517430.db2.gz COEAOVUFSLMRBV-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001407771102 925525774 /nfs/dbraw/zinc/52/57/74/925525774.db2.gz CEMIDCSTHYTHBJ-JTQLQIEISA-N 2 1 311.386 -1.096 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001408086983 925546508 /nfs/dbraw/zinc/54/65/08/925546508.db2.gz ULMBDVSDYIUNNG-MNOVXSKESA-N 2 1 313.402 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001408086996 925546697 /nfs/dbraw/zinc/54/66/97/925546697.db2.gz ULMBDVSDYIUNNG-QWRGUYRKSA-N 2 1 313.402 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001410135426 925692223 /nfs/dbraw/zinc/69/22/23/925692223.db2.gz ZLEDAUGOAZLMEJ-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410137873 925692582 /nfs/dbraw/zinc/69/25/82/925692582.db2.gz GNUMDVBCOODMIQ-CHWSQXEVSA-N 2 1 312.414 -1.232 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410770020 925775706 /nfs/dbraw/zinc/77/57/06/925775706.db2.gz JLQRGHPLIIGQKL-RYUDHWBXSA-N 2 1 314.386 -2.336 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410770027 925776339 /nfs/dbraw/zinc/77/63/39/925776339.db2.gz JLQRGHPLIIGQKL-VXGBXAGGSA-N 2 1 314.386 -2.336 20 0 DAADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001410777637 925778830 /nfs/dbraw/zinc/77/88/30/925778830.db2.gz RFBZJNDNXUXDKY-GHMZBOCLSA-N 2 1 302.375 -2.351 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411131054 925815929 /nfs/dbraw/zinc/81/59/29/925815929.db2.gz AALCFRUSQADCIX-VXGBXAGGSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411131054 925815938 /nfs/dbraw/zinc/81/59/38/925815938.db2.gz AALCFRUSQADCIX-VXGBXAGGSA-N 2 1 310.402 -1.324 20 0 DAADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001411149353 925821495 /nfs/dbraw/zinc/82/14/95/925821495.db2.gz QMXRRPVOSQLXLF-MNOVXSKESA-N 2 1 313.406 -1.541 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001411170720 925826589 /nfs/dbraw/zinc/82/65/89/925826589.db2.gz PJHVRGCOKHEDRN-STQMWFEESA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001411170720 925826596 /nfs/dbraw/zinc/82/65/96/925826596.db2.gz PJHVRGCOKHEDRN-STQMWFEESA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001411170714 925827713 /nfs/dbraw/zinc/82/77/13/925827713.db2.gz PJHVRGCOKHEDRN-OLZOCXBDSA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001411170714 925827722 /nfs/dbraw/zinc/82/77/22/925827722.db2.gz PJHVRGCOKHEDRN-OLZOCXBDSA-N 2 1 312.414 -1.435 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001411180215 925830229 /nfs/dbraw/zinc/83/02/29/925830229.db2.gz OEYUIJBOMVNAOI-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001411180215 925830235 /nfs/dbraw/zinc/83/02/35/925830235.db2.gz OEYUIJBOMVNAOI-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001411180215 925830243 /nfs/dbraw/zinc/83/02/43/925830243.db2.gz OEYUIJBOMVNAOI-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411240088 925833363 /nfs/dbraw/zinc/83/33/63/925833363.db2.gz SNXAORJVDGPRHZ-VQXHTEKXSA-N 2 1 311.386 -1.146 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001412962488 925994031 /nfs/dbraw/zinc/99/40/31/925994031.db2.gz AYVAJNIQPXPUGK-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001412962478 925994221 /nfs/dbraw/zinc/99/42/21/925994221.db2.gz AYVAJNIQPXPUGK-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976703 925996750 /nfs/dbraw/zinc/99/67/50/925996750.db2.gz WNBIUAUAGPXBQL-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413271181 926027068 /nfs/dbraw/zinc/02/70/68/926027068.db2.gz SFDZGSAAKMHWNE-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413271183 926027300 /nfs/dbraw/zinc/02/73/00/926027300.db2.gz SFDZGSAAKMHWNE-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001413977476 926092966 /nfs/dbraw/zinc/09/29/66/926092966.db2.gz KROXRYZPZFKCMO-JHJVBQTASA-N 2 1 312.414 -1.280 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001414070537 926105254 /nfs/dbraw/zinc/10/52/54/926105254.db2.gz ZKFLBGIMXVKXRG-OLZOCXBDSA-N 2 1 323.397 -1.169 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001416032029 926219662 /nfs/dbraw/zinc/21/96/62/926219662.db2.gz XICWFXBLBWJDJD-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001416032029 926219669 /nfs/dbraw/zinc/21/96/69/926219669.db2.gz XICWFXBLBWJDJD-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001416032029 926219677 /nfs/dbraw/zinc/21/96/77/926219677.db2.gz XICWFXBLBWJDJD-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001416032029 926219682 /nfs/dbraw/zinc/21/96/82/926219682.db2.gz XICWFXBLBWJDJD-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001417819304 926338752 /nfs/dbraw/zinc/33/87/52/926338752.db2.gz CXUCPDCJWPRLKT-VIFPVBQESA-N 2 1 322.369 -1.675 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001417819304 926338762 /nfs/dbraw/zinc/33/87/62/926338762.db2.gz CXUCPDCJWPRLKT-VIFPVBQESA-N 2 1 322.369 -1.675 20 0 DAADMP C[NH+](C)CCC(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001417821832 926341386 /nfs/dbraw/zinc/34/13/86/926341386.db2.gz OQTRZUYODSEGAT-UHFFFAOYSA-N 2 1 310.358 -1.675 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418070083 926362932 /nfs/dbraw/zinc/36/29/32/926362932.db2.gz KKILRIQNDHRFHY-JHJVBQTASA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001418117775 926366714 /nfs/dbraw/zinc/36/67/14/926366714.db2.gz CRESBQRBXXERGT-AOOOYVTPSA-N 2 1 311.386 -1.098 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317079 926382475 /nfs/dbraw/zinc/38/24/75/926382475.db2.gz YDMITFIKACKNRQ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317079 926382483 /nfs/dbraw/zinc/38/24/83/926382483.db2.gz YDMITFIKACKNRQ-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)CN(C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001418524643 926398990 /nfs/dbraw/zinc/39/89/90/926398990.db2.gz NEAOQKNWXUOSGB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCNC(=O)CN(C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001418524643 926398997 /nfs/dbraw/zinc/39/89/97/926398997.db2.gz NEAOQKNWXUOSGB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418611749 926409203 /nfs/dbraw/zinc/40/92/03/926409203.db2.gz AKNAGWBJJBLFEK-XQQFMLRXSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418611749 926409212 /nfs/dbraw/zinc/40/92/12/926409212.db2.gz AKNAGWBJJBLFEK-XQQFMLRXSA-N 2 1 312.414 -1.110 20 0 DAADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NC ZINC001419264043 926470136 /nfs/dbraw/zinc/47/01/36/926470136.db2.gz OXFZHPAJIDPFER-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001419463967 926479057 /nfs/dbraw/zinc/47/90/57/926479057.db2.gz VOYWKFDZDLRGKT-AEJSXWLSSA-N 2 1 313.358 -2.251 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001419463967 926479065 /nfs/dbraw/zinc/47/90/65/926479065.db2.gz VOYWKFDZDLRGKT-AEJSXWLSSA-N 2 1 313.358 -2.251 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419578111 926489002 /nfs/dbraw/zinc/48/90/02/926489002.db2.gz VDARRIPHBYNQTG-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419578111 926489006 /nfs/dbraw/zinc/48/90/06/926489006.db2.gz VDARRIPHBYNQTG-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419643083 926492311 /nfs/dbraw/zinc/49/23/11/926492311.db2.gz CNKIUMMCRQUPQZ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419643083 926492315 /nfs/dbraw/zinc/49/23/15/926492315.db2.gz CNKIUMMCRQUPQZ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O ZINC001419927672 926508059 /nfs/dbraw/zinc/50/80/59/926508059.db2.gz SIXDMHJIMXHPGV-NEPJUHHUSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O ZINC001419927689 926509489 /nfs/dbraw/zinc/50/94/89/926509489.db2.gz SIXDMHJIMXHPGV-NWDGAFQWSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420011811 926515896 /nfs/dbraw/zinc/51/58/96/926515896.db2.gz WAGXMPMDSVSTBQ-SNVBAGLBSA-N 2 1 301.391 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420011811 926515904 /nfs/dbraw/zinc/51/59/04/926515904.db2.gz WAGXMPMDSVSTBQ-SNVBAGLBSA-N 2 1 301.391 -1.088 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107610 926524672 /nfs/dbraw/zinc/52/46/72/926524672.db2.gz JPTNWHWSPNMBLE-KBPBESRZSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107610 926524681 /nfs/dbraw/zinc/52/46/81/926524681.db2.gz JPTNWHWSPNMBLE-KBPBESRZSA-N 2 1 308.382 -1.021 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420119190 926529591 /nfs/dbraw/zinc/52/95/91/926529591.db2.gz ZWBKNLPFFBVGDM-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420174790 926550843 /nfs/dbraw/zinc/55/08/43/926550843.db2.gz SUHYKMPDHQBATD-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420174792 926551537 /nfs/dbraw/zinc/55/15/37/926551537.db2.gz SUHYKMPDHQBATD-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C2 ZINC001420172093 926551777 /nfs/dbraw/zinc/55/17/77/926551777.db2.gz JXJSFPNRVSYJLZ-ZYHUDNBSSA-N 2 1 309.370 -1.694 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001420193700 926557795 /nfs/dbraw/zinc/55/77/95/926557795.db2.gz KFVNUCFITLDJMF-QWRGUYRKSA-N 2 1 323.401 -1.566 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001420511145 926596033 /nfs/dbraw/zinc/59/60/33/926596033.db2.gz ATKMVARVCRTQGU-AVGNSLFASA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001420511145 926596038 /nfs/dbraw/zinc/59/60/38/926596038.db2.gz ATKMVARVCRTQGU-AVGNSLFASA-N 2 1 303.403 -1.191 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420572362 926600979 /nfs/dbraw/zinc/60/09/79/926600979.db2.gz RRAMXCZQRIDDBE-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420572362 926600981 /nfs/dbraw/zinc/60/09/81/926600981.db2.gz RRAMXCZQRIDDBE-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420572362 926600983 /nfs/dbraw/zinc/60/09/83/926600983.db2.gz RRAMXCZQRIDDBE-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420572362 926600984 /nfs/dbraw/zinc/60/09/84/926600984.db2.gz RRAMXCZQRIDDBE-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389011 926684528 /nfs/dbraw/zinc/68/45/28/926684528.db2.gz DQUJUBIXTJHHAU-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389011 926684536 /nfs/dbraw/zinc/68/45/36/926684536.db2.gz DQUJUBIXTJHHAU-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421765471 926751487 /nfs/dbraw/zinc/75/14/87/926751487.db2.gz GDXPMROTJPWEMM-MNOVXSKESA-N 2 1 313.402 -1.264 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421765477 926751751 /nfs/dbraw/zinc/75/17/51/926751751.db2.gz GDXPMROTJPWEMM-QWRGUYRKSA-N 2 1 313.402 -1.264 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421765481 926752546 /nfs/dbraw/zinc/75/25/46/926752546.db2.gz GDXPMROTJPWEMM-WDEREUQCSA-N 2 1 313.402 -1.264 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001421969973 926778281 /nfs/dbraw/zinc/77/82/81/926778281.db2.gz BZTVNXFDYOFQKW-CQSZACIVSA-N 2 1 309.370 -1.380 20 0 DAADMP C[NH+](C)CCC(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422192053 926796237 /nfs/dbraw/zinc/79/62/37/926796237.db2.gz AQWQISZIEMKTRH-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422271186 926806229 /nfs/dbraw/zinc/80/62/29/926806229.db2.gz IBLBHLGWKKEETF-OLZOCXBDSA-N 2 1 312.370 -1.120 20 0 DAADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422271186 926806238 /nfs/dbraw/zinc/80/62/38/926806238.db2.gz IBLBHLGWKKEETF-OLZOCXBDSA-N 2 1 312.370 -1.120 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278947 926809898 /nfs/dbraw/zinc/80/98/98/926809898.db2.gz WDFFTCCDVKFXJQ-NEPJUHHUSA-N 2 1 314.386 -2.384 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278947 926809911 /nfs/dbraw/zinc/80/99/11/926809911.db2.gz WDFFTCCDVKFXJQ-NEPJUHHUSA-N 2 1 314.386 -2.384 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001422358722 926848364 /nfs/dbraw/zinc/84/83/64/926848364.db2.gz HZBUDSYNOQFUKH-WCQYABFASA-N 2 1 323.397 -1.433 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001422359753 926849543 /nfs/dbraw/zinc/84/95/43/926849543.db2.gz BWRHDIHCASUMDL-NSHDSACASA-N 2 1 311.386 -1.181 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001422358711 926849580 /nfs/dbraw/zinc/84/95/80/926849580.db2.gz HZBUDSYNOQFUKH-AAEUAGOBSA-N 2 1 323.397 -1.433 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422366424 926852376 /nfs/dbraw/zinc/85/23/76/926852376.db2.gz ZQLKDLWZXTUZTE-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001422379145 926854895 /nfs/dbraw/zinc/85/48/95/926854895.db2.gz KHKNKYWJBSFOFA-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001422402752 926862282 /nfs/dbraw/zinc/86/22/82/926862282.db2.gz KLLMMMOZEVNSDB-GFCCVEGCSA-N 2 1 309.370 -1.463 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001422406129 926867995 /nfs/dbraw/zinc/86/79/95/926867995.db2.gz XDAAOCBUPQOCMG-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001422406129 926868007 /nfs/dbraw/zinc/86/80/07/926868007.db2.gz XDAAOCBUPQOCMG-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP C[NH+](C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001422432422 926872611 /nfs/dbraw/zinc/87/26/11/926872611.db2.gz XFYUYXUPPQLXMG-JSGCOSHPSA-N 2 1 308.382 -1.159 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001422598835 926891220 /nfs/dbraw/zinc/89/12/20/926891220.db2.gz NBOKJIQZLVPSRH-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001422598835 926891236 /nfs/dbraw/zinc/89/12/36/926891236.db2.gz NBOKJIQZLVPSRH-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422917648 926927212 /nfs/dbraw/zinc/92/72/12/926927212.db2.gz MREGILQMPCCFEW-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422917648 926927223 /nfs/dbraw/zinc/92/72/23/926927223.db2.gz MREGILQMPCCFEW-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001422917648 926927230 /nfs/dbraw/zinc/92/72/30/926927230.db2.gz MREGILQMPCCFEW-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001422917648 926927239 /nfs/dbraw/zinc/92/72/39/926927239.db2.gz MREGILQMPCCFEW-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001422907546 926927468 /nfs/dbraw/zinc/92/74/68/926927468.db2.gz QPXOZMZLUUDNOX-GMTAPVOTSA-N 2 1 311.386 -1.383 20 0 DAADMP C[C@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422936041 926930455 /nfs/dbraw/zinc/93/04/55/926930455.db2.gz NSFREQDDMIAHCR-GHMZBOCLSA-N 2 1 310.402 -1.003 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001423060628 926940115 /nfs/dbraw/zinc/94/01/15/926940115.db2.gz UVOQZCXVYHLQTA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067334 926944036 /nfs/dbraw/zinc/94/40/36/926944036.db2.gz XGRFUROSWJSQSH-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067334 926944047 /nfs/dbraw/zinc/94/40/47/926944047.db2.gz XGRFUROSWJSQSH-CHWSQXEVSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001423282175 927012078 /nfs/dbraw/zinc/01/20/78/927012078.db2.gz JTPFLOXHJOMFAB-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001423301972 927022758 /nfs/dbraw/zinc/02/27/58/927022758.db2.gz UOKRHVVXEOWACS-WCQYABFASA-N 2 1 312.414 -1.327 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423299025 927022858 /nfs/dbraw/zinc/02/28/58/927022858.db2.gz HAYYVOPITZYHBH-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423434093 927049479 /nfs/dbraw/zinc/04/94/79/927049479.db2.gz OGMMUSOAIIHQSQ-QWRGUYRKSA-N 2 1 302.375 -2.528 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423434093 927049497 /nfs/dbraw/zinc/04/94/97/927049497.db2.gz OGMMUSOAIIHQSQ-QWRGUYRKSA-N 2 1 302.375 -2.528 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423483064 927072721 /nfs/dbraw/zinc/07/27/21/927072721.db2.gz IWDYVAOACGVERZ-YPMHNXCESA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423483064 927072735 /nfs/dbraw/zinc/07/27/35/927072735.db2.gz IWDYVAOACGVERZ-YPMHNXCESA-N 2 1 310.402 -1.324 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001423492672 927078635 /nfs/dbraw/zinc/07/86/35/927078635.db2.gz IGILOQFQGDQZFS-NWDGAFQWSA-N 2 1 300.403 -1.376 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541494 927090884 /nfs/dbraw/zinc/09/08/84/927090884.db2.gz DIOZUYRPNLQFKD-VXGBXAGGSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541494 927090903 /nfs/dbraw/zinc/09/09/03/927090903.db2.gz DIOZUYRPNLQFKD-VXGBXAGGSA-N 2 1 300.403 -1.293 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1ccnc1 ZINC001423547712 927093382 /nfs/dbraw/zinc/09/33/82/927093382.db2.gz VKUUTAGTDDONJA-QWHCGFSZSA-N 2 1 323.397 -1.135 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1ccnc1 ZINC001423547710 927094059 /nfs/dbraw/zinc/09/40/59/927094059.db2.gz VKUUTAGTDDONJA-OLZOCXBDSA-N 2 1 323.397 -1.135 20 0 DAADMP Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)nc1=O ZINC001423979117 927176967 /nfs/dbraw/zinc/17/69/67/927176967.db2.gz GVVZIDBHMKATBB-TXEJJXNPSA-N 2 1 322.413 -1.050 20 0 DAADMP Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)nc1=O ZINC001423979117 927176975 /nfs/dbraw/zinc/17/69/75/927176975.db2.gz GVVZIDBHMKATBB-TXEJJXNPSA-N 2 1 322.413 -1.050 20 0 DAADMP C[N@@H+](CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001424051004 927187431 /nfs/dbraw/zinc/18/74/31/927187431.db2.gz RTXONWFMSQADHJ-ZDUSSCGKSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424399224 927231034 /nfs/dbraw/zinc/23/10/34/927231034.db2.gz FFEHDIQBTONXDV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424399224 927231045 /nfs/dbraw/zinc/23/10/45/927231045.db2.gz FFEHDIQBTONXDV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC(=O)NC(N)=O ZINC001424997076 927270188 /nfs/dbraw/zinc/27/01/88/927270188.db2.gz KFIBSOKITNLVAM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424997076 927270200 /nfs/dbraw/zinc/27/02/00/927270200.db2.gz KFIBSOKITNLVAM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425388556 927342872 /nfs/dbraw/zinc/34/28/72/927342872.db2.gz CWDJCDDYDUHNIO-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425388554 927344367 /nfs/dbraw/zinc/34/43/67/927344367.db2.gz CWDJCDDYDUHNIO-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001425411489 927353847 /nfs/dbraw/zinc/35/38/47/927353847.db2.gz MWLGLTKISSIKJZ-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425411489 927353864 /nfs/dbraw/zinc/35/38/64/927353864.db2.gz MWLGLTKISSIKJZ-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425411489 927353877 /nfs/dbraw/zinc/35/38/77/927353877.db2.gz MWLGLTKISSIKJZ-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553884 927392040 /nfs/dbraw/zinc/39/20/40/927392040.db2.gz WKAIEYKVVPXCSO-NXEZZACHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553884 927392045 /nfs/dbraw/zinc/39/20/45/927392045.db2.gz WKAIEYKVVPXCSO-NXEZZACHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001425711613 927405735 /nfs/dbraw/zinc/40/57/35/927405735.db2.gz JGXDJWJHWWPQMO-RYUDHWBXSA-N 2 1 313.402 -1.828 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001425751606 927425653 /nfs/dbraw/zinc/42/56/53/927425653.db2.gz GBPBGRSGAFXURI-GRYCIOLGSA-N 2 1 300.403 -1.519 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001425775849 927440520 /nfs/dbraw/zinc/44/05/20/927440520.db2.gz CQLSCRSSIWRRJS-NEPJUHHUSA-N 2 1 311.386 -1.265 20 0 DAADMP C[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001425829014 927466024 /nfs/dbraw/zinc/46/60/24/927466024.db2.gz XWUZDVXKOJLOTD-VXGBXAGGSA-N 2 1 300.403 -1.197 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425835540 927470835 /nfs/dbraw/zinc/47/08/35/927470835.db2.gz NOJHMYJCNJXHED-LBPRGKRZSA-N 2 1 322.413 -1.040 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001425841474 927474035 /nfs/dbraw/zinc/47/40/35/927474035.db2.gz OQWUQJRZEDRVDE-TZMCWYRMSA-N 2 1 314.430 -1.081 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001426026785 927509391 /nfs/dbraw/zinc/50/93/91/927509391.db2.gz BYBOXGNZTVGOBV-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001426051692 927517400 /nfs/dbraw/zinc/51/74/00/927517400.db2.gz JVVOHRHSPLCODP-NEPJUHHUSA-N 2 1 311.386 -1.136 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[NH+]1CCCC1 ZINC001426046060 927518407 /nfs/dbraw/zinc/51/84/07/927518407.db2.gz BIEWBRSKKHCOKH-LBPRGKRZSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426063283 927520375 /nfs/dbraw/zinc/52/03/75/927520375.db2.gz YPIJVIGKKQGOAC-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426063283 927520380 /nfs/dbraw/zinc/52/03/80/927520380.db2.gz YPIJVIGKKQGOAC-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426063283 927520387 /nfs/dbraw/zinc/52/03/87/927520387.db2.gz YPIJVIGKKQGOAC-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426063283 927520398 /nfs/dbraw/zinc/52/03/98/927520398.db2.gz YPIJVIGKKQGOAC-CHWSQXEVSA-N 2 1 303.403 -1.550 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001426071285 927525802 /nfs/dbraw/zinc/52/58/02/927525802.db2.gz OFPJMIAIZGTCRH-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001426071285 927525815 /nfs/dbraw/zinc/52/58/15/927525815.db2.gz OFPJMIAIZGTCRH-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001426071285 927525829 /nfs/dbraw/zinc/52/58/29/927525829.db2.gz OFPJMIAIZGTCRH-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001426071285 927525839 /nfs/dbraw/zinc/52/58/39/927525839.db2.gz OFPJMIAIZGTCRH-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087602 927529320 /nfs/dbraw/zinc/52/93/20/927529320.db2.gz UZXMLGOBANQHTK-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001428261150 927768368 /nfs/dbraw/zinc/76/83/68/927768368.db2.gz PXBVTLSTPXVVKF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CC1(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001432336683 928135706 /nfs/dbraw/zinc/13/57/06/928135706.db2.gz ZQNQACGNUBFRAX-CYBMUJFWSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CC1(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001432336683 928135716 /nfs/dbraw/zinc/13/57/16/928135716.db2.gz ZQNQACGNUBFRAX-CYBMUJFWSA-N 2 1 324.425 -1.014 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001433291867 928210151 /nfs/dbraw/zinc/21/01/51/928210151.db2.gz BYXMSJYATJUYKV-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC([NH2+]C3COC3)C2)CC1=O ZINC001434397793 928347372 /nfs/dbraw/zinc/34/73/72/928347372.db2.gz ZJODWXNOLDLYCZ-LLVKDONJSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457138 928399714 /nfs/dbraw/zinc/39/97/14/928399714.db2.gz IULDPIZDKBJUGL-QWHCGFSZSA-N 2 1 312.414 -1.291 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457138 928399728 /nfs/dbraw/zinc/39/97/28/928399728.db2.gz IULDPIZDKBJUGL-QWHCGFSZSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)C1 ZINC001436457138 928399743 /nfs/dbraw/zinc/39/97/43/928399743.db2.gz IULDPIZDKBJUGL-QWHCGFSZSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)C1 ZINC001436457138 928399758 /nfs/dbraw/zinc/39/97/58/928399758.db2.gz IULDPIZDKBJUGL-QWHCGFSZSA-N 2 1 312.414 -1.291 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436888846 928416209 /nfs/dbraw/zinc/41/62/09/928416209.db2.gz QYNRJKOLJWWDKD-CYDGBPFRSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436888846 928416221 /nfs/dbraw/zinc/41/62/21/928416221.db2.gz QYNRJKOLJWWDKD-CYDGBPFRSA-N 2 1 301.387 -1.439 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437116683 928426208 /nfs/dbraw/zinc/42/62/08/928426208.db2.gz BIKGJABBEFYNAN-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437116683 928426215 /nfs/dbraw/zinc/42/62/15/928426215.db2.gz BIKGJABBEFYNAN-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001437295714 928443982 /nfs/dbraw/zinc/44/39/82/928443982.db2.gz MAOLQHGCVAWVTF-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001437295714 928443989 /nfs/dbraw/zinc/44/39/89/928443989.db2.gz MAOLQHGCVAWVTF-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001437542877 928462389 /nfs/dbraw/zinc/46/23/89/928462389.db2.gz WCMLBMYUDHZEMF-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001437542877 928462391 /nfs/dbraw/zinc/46/23/91/928462391.db2.gz WCMLBMYUDHZEMF-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001437542877 928462393 /nfs/dbraw/zinc/46/23/93/928462393.db2.gz WCMLBMYUDHZEMF-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437542877 928462396 /nfs/dbraw/zinc/46/23/96/928462396.db2.gz WCMLBMYUDHZEMF-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649437 928468736 /nfs/dbraw/zinc/46/87/36/928468736.db2.gz ZWJTUNHPHSXTLA-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649437 928468746 /nfs/dbraw/zinc/46/87/46/928468746.db2.gz ZWJTUNHPHSXTLA-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649437 928468756 /nfs/dbraw/zinc/46/87/56/928468756.db2.gz ZWJTUNHPHSXTLA-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649437 928468761 /nfs/dbraw/zinc/46/87/61/928468761.db2.gz ZWJTUNHPHSXTLA-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437741101 928476714 /nfs/dbraw/zinc/47/67/14/928476714.db2.gz IKTUHJOUGUBQCF-NSHDSACASA-N 2 1 311.386 -1.285 20 0 DAADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CC(=O)NC(N)=O ZINC001438379691 928517095 /nfs/dbraw/zinc/51/70/95/928517095.db2.gz ZIXTXPRURRJQAY-JTQLQIEISA-N 2 1 310.358 -1.129 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001438506193 928518622 /nfs/dbraw/zinc/51/86/22/928518622.db2.gz FZQHTPFYKFWTNM-VIFPVBQESA-N 2 1 310.358 -1.272 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001438800985 928534069 /nfs/dbraw/zinc/53/40/69/928534069.db2.gz UTFAQZTUKDRIHG-NWDGAFQWSA-N 2 1 300.403 -1.207 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001438800985 928534075 /nfs/dbraw/zinc/53/40/75/928534075.db2.gz UTFAQZTUKDRIHG-NWDGAFQWSA-N 2 1 300.403 -1.207 20 0 DAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001438800984 928534222 /nfs/dbraw/zinc/53/42/22/928534222.db2.gz UTFAQZTUKDRIHG-NEPJUHHUSA-N 2 1 300.403 -1.207 20 0 DAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001438800984 928534229 /nfs/dbraw/zinc/53/42/29/928534229.db2.gz UTFAQZTUKDRIHG-NEPJUHHUSA-N 2 1 300.403 -1.207 20 0 DAADMP CC(C)[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001438833225 928536054 /nfs/dbraw/zinc/53/60/54/928536054.db2.gz VSVSAYHEJBFBDT-LBPRGKRZSA-N 2 1 300.403 -1.076 20 0 DAADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001438965444 928547909 /nfs/dbraw/zinc/54/79/09/928547909.db2.gz GMSLARKUCHPPPU-KGLIPLIRSA-N 2 1 323.397 -1.318 20 0 DAADMP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001438965444 928547918 /nfs/dbraw/zinc/54/79/18/928547918.db2.gz GMSLARKUCHPPPU-KGLIPLIRSA-N 2 1 323.397 -1.318 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001438989931 928562345 /nfs/dbraw/zinc/56/23/45/928562345.db2.gz JDBZRYHXZWUVOP-UONOGXRCSA-N 2 1 322.413 -1.276 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001438995486 928564207 /nfs/dbraw/zinc/56/42/07/928564207.db2.gz CTFDYIOTIYJUQU-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001438995492 928564988 /nfs/dbraw/zinc/56/49/88/928564988.db2.gz CTFDYIOTIYJUQU-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001438995502 928565012 /nfs/dbraw/zinc/56/50/12/928565012.db2.gz CTFDYIOTIYJUQU-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001439000847 928566550 /nfs/dbraw/zinc/56/65/50/928566550.db2.gz JGHYSJIQLCBOMY-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001439014948 928576957 /nfs/dbraw/zinc/57/69/57/928576957.db2.gz NMMCHTHHKPWEIU-VXGBXAGGSA-N 2 1 311.386 -1.265 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001439014944 928578287 /nfs/dbraw/zinc/57/82/87/928578287.db2.gz NMMCHTHHKPWEIU-NEPJUHHUSA-N 2 1 311.386 -1.265 20 0 DAADMP CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439040782 928588445 /nfs/dbraw/zinc/58/84/45/928588445.db2.gz FEBYUKOEBWCEHJ-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001439040906 928589394 /nfs/dbraw/zinc/58/93/94/928589394.db2.gz FMFOXAIRIMIPIQ-YPMHNXCESA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001439040906 928589401 /nfs/dbraw/zinc/58/94/01/928589401.db2.gz FMFOXAIRIMIPIQ-YPMHNXCESA-N 2 1 310.402 -1.184 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001439044261 928591080 /nfs/dbraw/zinc/59/10/80/928591080.db2.gz MFFRSGOQQQPDQG-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439986034 928657389 /nfs/dbraw/zinc/65/73/89/928657389.db2.gz DBVISJRXTYVGIJ-SMDDNHRTSA-N 2 1 318.393 -1.295 20 0 DAADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439986034 928657397 /nfs/dbraw/zinc/65/73/97/928657397.db2.gz DBVISJRXTYVGIJ-SMDDNHRTSA-N 2 1 318.393 -1.295 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440020109 928668453 /nfs/dbraw/zinc/66/84/53/928668453.db2.gz QKRLFJKMOXIBMK-OAHLLOKOSA-N 2 1 312.414 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440020109 928668456 /nfs/dbraw/zinc/66/84/56/928668456.db2.gz QKRLFJKMOXIBMK-OAHLLOKOSA-N 2 1 312.414 -1.099 20 0 DAADMP CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001440023575 928669387 /nfs/dbraw/zinc/66/93/87/928669387.db2.gz NFEHGKMVUHKATK-BBRMVZONSA-N 2 1 324.425 -1.134 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001440196940 928704109 /nfs/dbraw/zinc/70/41/09/928704109.db2.gz AAEUPKHJPVPEEY-RYUDHWBXSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001440196940 928704114 /nfs/dbraw/zinc/70/41/14/928704114.db2.gz AAEUPKHJPVPEEY-RYUDHWBXSA-N 2 1 316.402 -2.009 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001440204012 928704383 /nfs/dbraw/zinc/70/43/83/928704383.db2.gz GISGYQIOGLUAFB-NWDGAFQWSA-N 2 1 300.403 -1.388 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001440196933 928704545 /nfs/dbraw/zinc/70/45/45/928704545.db2.gz AAEUPKHJPVPEEY-NEPJUHHUSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001440196933 928704549 /nfs/dbraw/zinc/70/45/49/928704549.db2.gz AAEUPKHJPVPEEY-NEPJUHHUSA-N 2 1 316.402 -2.009 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001440761563 928743907 /nfs/dbraw/zinc/74/39/07/928743907.db2.gz QPXOZMZLUUDNOX-YVNMAJEFSA-N 2 1 311.386 -1.383 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001440995087 928753113 /nfs/dbraw/zinc/75/31/13/928753113.db2.gz LFBWEFKUCIJKFC-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001440995087 928753121 /nfs/dbraw/zinc/75/31/21/928753121.db2.gz LFBWEFKUCIJKFC-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440995087 928753128 /nfs/dbraw/zinc/75/31/28/928753128.db2.gz LFBWEFKUCIJKFC-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440995087 928753134 /nfs/dbraw/zinc/75/31/34/928753134.db2.gz LFBWEFKUCIJKFC-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001441363611 928784829 /nfs/dbraw/zinc/78/48/29/928784829.db2.gz CZSXAZQUJVRDDX-XYPYZODXSA-N 2 1 322.369 -1.129 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001441360289 928785083 /nfs/dbraw/zinc/78/50/83/928785083.db2.gz DSVGLDYJJKXUJW-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001441360289 928785092 /nfs/dbraw/zinc/78/50/92/928785092.db2.gz DSVGLDYJJKXUJW-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001441417957 928786449 /nfs/dbraw/zinc/78/64/49/928786449.db2.gz RGIFUZZPYWKQPK-DCAQKATOSA-N 2 1 311.386 -1.240 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441719978 928839167 /nfs/dbraw/zinc/83/91/67/928839167.db2.gz LPCQRDZBTCKMTK-RYUDHWBXSA-N 2 1 309.370 -1.463 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001441725612 928841844 /nfs/dbraw/zinc/84/18/44/928841844.db2.gz XLQUWXWFPGRPPT-GFCCVEGCSA-N 2 1 324.385 -1.717 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441743550 928848835 /nfs/dbraw/zinc/84/88/35/928848835.db2.gz SLYCCURNUIJMHE-AVGNSLFASA-N 2 1 314.430 -1.081 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001441763841 928856419 /nfs/dbraw/zinc/85/64/19/928856419.db2.gz ZVRDWHLLSSKIRG-STQMWFEESA-N 2 1 323.397 -1.073 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001441783601 928862467 /nfs/dbraw/zinc/86/24/67/928862467.db2.gz UQIDVGLGGUSJCB-DGCLKSJQSA-N 2 1 312.418 -1.032 20 0 DAADMP Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001441787928 928866614 /nfs/dbraw/zinc/86/66/14/928866614.db2.gz GNWJLFLPPXXETC-ZIAGYGMSSA-N 2 1 324.429 -1.087 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441827715 928873123 /nfs/dbraw/zinc/87/31/23/928873123.db2.gz OMSZDNHSQFVYHX-VXGBXAGGSA-N 2 1 300.403 -1.328 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001441840256 928874787 /nfs/dbraw/zinc/87/47/87/928874787.db2.gz ZRBIXYBCCOVPQM-VIFPVBQESA-N 2 1 303.363 -2.412 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001441834641 928875032 /nfs/dbraw/zinc/87/50/32/928875032.db2.gz NBOCLVCIODQEKR-GHMZBOCLSA-N 2 1 322.369 -1.035 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441959213 928889277 /nfs/dbraw/zinc/88/92/77/928889277.db2.gz MEOCHOYKNPAFNW-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441959213 928889287 /nfs/dbraw/zinc/88/92/87/928889287.db2.gz MEOCHOYKNPAFNW-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442091316 928925983 /nfs/dbraw/zinc/92/59/83/928925983.db2.gz HXQXNPCUAZMBOV-CYBMUJFWSA-N 2 1 314.430 -1.079 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442091316 928925991 /nfs/dbraw/zinc/92/59/91/928925991.db2.gz HXQXNPCUAZMBOV-CYBMUJFWSA-N 2 1 314.430 -1.079 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001442095405 928926126 /nfs/dbraw/zinc/92/61/26/928926126.db2.gz OSGYZBOIFAUXQW-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001442095405 928926139 /nfs/dbraw/zinc/92/61/39/928926139.db2.gz OSGYZBOIFAUXQW-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001442095405 928926147 /nfs/dbraw/zinc/92/61/47/928926147.db2.gz OSGYZBOIFAUXQW-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001442096389 928926704 /nfs/dbraw/zinc/92/67/04/928926704.db2.gz OLXQJNTUQOCHNO-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001442096389 928926710 /nfs/dbraw/zinc/92/67/10/928926710.db2.gz OLXQJNTUQOCHNO-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442096389 928926720 /nfs/dbraw/zinc/92/67/20/928926720.db2.gz OLXQJNTUQOCHNO-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442096389 928926730 /nfs/dbraw/zinc/92/67/30/928926730.db2.gz OLXQJNTUQOCHNO-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001442095404 928927390 /nfs/dbraw/zinc/92/73/90/928927390.db2.gz OSGYZBOIFAUXQW-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001442095404 928927400 /nfs/dbraw/zinc/92/74/00/928927400.db2.gz OSGYZBOIFAUXQW-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001442095404 928927413 /nfs/dbraw/zinc/92/74/13/928927413.db2.gz OSGYZBOIFAUXQW-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134918 928929535 /nfs/dbraw/zinc/92/95/35/928929535.db2.gz IBEVSUUCLLMRQU-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134918 928929543 /nfs/dbraw/zinc/92/95/43/928929543.db2.gz IBEVSUUCLLMRQU-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337941 929000753 /nfs/dbraw/zinc/00/07/53/929000753.db2.gz MVJCSMHMTVXXRA-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337941 929000763 /nfs/dbraw/zinc/00/07/63/929000763.db2.gz MVJCSMHMTVXXRA-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001443337941 929000770 /nfs/dbraw/zinc/00/07/70/929000770.db2.gz MVJCSMHMTVXXRA-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337941 929000775 /nfs/dbraw/zinc/00/07/75/929000775.db2.gz MVJCSMHMTVXXRA-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001443573795 929014280 /nfs/dbraw/zinc/01/42/80/929014280.db2.gz AZZJSQYZKYJRHZ-OLZOCXBDSA-N 2 1 301.387 -1.628 20 0 DAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001443573795 929014293 /nfs/dbraw/zinc/01/42/93/929014293.db2.gz AZZJSQYZKYJRHZ-OLZOCXBDSA-N 2 1 301.387 -1.628 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444125880 929065863 /nfs/dbraw/zinc/06/58/63/929065863.db2.gz PCCVYFQCFGOETF-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444183774 929078470 /nfs/dbraw/zinc/07/84/70/929078470.db2.gz FEHVINCJMYGWPO-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444183774 929078479 /nfs/dbraw/zinc/07/84/79/929078479.db2.gz FEHVINCJMYGWPO-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001444194479 929083431 /nfs/dbraw/zinc/08/34/31/929083431.db2.gz NQOQHVPCJSTDGW-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444593836 929131408 /nfs/dbraw/zinc/13/14/08/929131408.db2.gz FQROBHFUDNHGLX-ZJUUUORDSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444593836 929131416 /nfs/dbraw/zinc/13/14/16/929131416.db2.gz FQROBHFUDNHGLX-ZJUUUORDSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444593823 929131465 /nfs/dbraw/zinc/13/14/65/929131465.db2.gz FQROBHFUDNHGLX-NXEZZACHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444593823 929131474 /nfs/dbraw/zinc/13/14/74/929131474.db2.gz FQROBHFUDNHGLX-NXEZZACHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444727628 929150708 /nfs/dbraw/zinc/15/07/08/929150708.db2.gz NPGHQYCGSDTFEW-MNOVXSKESA-N 2 1 310.402 -1.003 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151606 929168434 /nfs/dbraw/zinc/16/84/34/929168434.db2.gz FPIAGQDNMMCSJL-ZIAGYGMSSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151606 929168441 /nfs/dbraw/zinc/16/84/41/929168441.db2.gz FPIAGQDNMMCSJL-ZIAGYGMSSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151589 929168913 /nfs/dbraw/zinc/16/89/13/929168913.db2.gz FPIAGQDNMMCSJL-KBPBESRZSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151589 929168923 /nfs/dbraw/zinc/16/89/23/929168923.db2.gz FPIAGQDNMMCSJL-KBPBESRZSA-N 2 1 315.414 -1.190 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445149820 929169006 /nfs/dbraw/zinc/16/90/06/929169006.db2.gz DUKCUSFXBWQAKQ-NEPJUHHUSA-N 2 1 316.402 -2.092 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445149820 929169013 /nfs/dbraw/zinc/16/90/13/929169013.db2.gz DUKCUSFXBWQAKQ-NEPJUHHUSA-N 2 1 316.402 -2.092 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001445175107 929176230 /nfs/dbraw/zinc/17/62/30/929176230.db2.gz FHZVCRUQRFMCIW-RAIGVLPGSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001445175107 929176233 /nfs/dbraw/zinc/17/62/33/929176233.db2.gz FHZVCRUQRFMCIW-RAIGVLPGSA-N 2 1 310.402 -1.278 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001445260176 929203399 /nfs/dbraw/zinc/20/33/99/929203399.db2.gz KNBOGPZUKNIZFW-PWSUYJOCSA-N 2 1 313.406 -1.637 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445267519 929205647 /nfs/dbraw/zinc/20/56/47/929205647.db2.gz ANRRGWNRCZJQGY-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445267519 929205658 /nfs/dbraw/zinc/20/56/58/929205658.db2.gz ANRRGWNRCZJQGY-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001445270141 929205964 /nfs/dbraw/zinc/20/59/64/929205964.db2.gz PGRNGXDHHWQNBI-LBPRGKRZSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001445264888 929206293 /nfs/dbraw/zinc/20/62/93/929206293.db2.gz GHQVEZGHDLIYMK-RYUDHWBXSA-N 2 1 314.430 -1.081 20 0 DAADMP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001445270137 929206608 /nfs/dbraw/zinc/20/66/08/929206608.db2.gz LUBAIWUXNNANCE-YPMHNXCESA-N 2 1 312.414 -1.374 20 0 DAADMP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001445270132 929207072 /nfs/dbraw/zinc/20/70/72/929207072.db2.gz LUBAIWUXNNANCE-AAEUAGOBSA-N 2 1 312.414 -1.374 20 0 DAADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001445267181 929207796 /nfs/dbraw/zinc/20/77/96/929207796.db2.gz ISKIWPYWTHLXJU-KGLIPLIRSA-N 2 1 322.409 -1.096 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001445482162 929224830 /nfs/dbraw/zinc/22/48/30/929224830.db2.gz NQVLHAMULAYYHV-SNVBAGLBSA-N 2 1 301.391 -1.122 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001445527252 929234339 /nfs/dbraw/zinc/23/43/39/929234339.db2.gz GIZJTCVHFKCHPY-YNEHKIRRSA-N 2 1 312.414 -1.422 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001445660952 929248691 /nfs/dbraw/zinc/24/86/91/929248691.db2.gz GIZJTCVHFKCHPY-XQQFMLRXSA-N 2 1 312.414 -1.422 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001446147834 929277368 /nfs/dbraw/zinc/27/73/68/929277368.db2.gz DWLIZNGAALETGS-VXGBXAGGSA-N 2 1 301.387 -1.437 20 0 DAADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001446147834 929277377 /nfs/dbraw/zinc/27/73/77/929277377.db2.gz DWLIZNGAALETGS-VXGBXAGGSA-N 2 1 301.387 -1.437 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001446229711 929283819 /nfs/dbraw/zinc/28/38/19/929283819.db2.gz YZZNMMSXWOOEBI-UHFFFAOYSA-N 2 1 322.369 -1.114 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001446714326 929306734 /nfs/dbraw/zinc/30/67/34/929306734.db2.gz BBPFFCGWKNEZNY-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001446714326 929306748 /nfs/dbraw/zinc/30/67/48/929306748.db2.gz BBPFFCGWKNEZNY-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001446790194 929323729 /nfs/dbraw/zinc/32/37/29/929323729.db2.gz WYOLADNTPZJCPR-IPYPFGDCSA-N 2 1 317.430 -1.113 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001447056651 929368135 /nfs/dbraw/zinc/36/81/35/929368135.db2.gz BXLGRICHUMTOEG-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001447277497 929380087 /nfs/dbraw/zinc/38/00/87/929380087.db2.gz GTTZCYNLZHGICT-LBPRGKRZSA-N 2 1 309.370 -1.245 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 ZINC001447287991 929380827 /nfs/dbraw/zinc/38/08/27/929380827.db2.gz PZWCOPHPCXCPFD-LBPRGKRZSA-N 2 1 309.370 -1.095 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448792726 929471436 /nfs/dbraw/zinc/47/14/36/929471436.db2.gz VRNWIIOBBPAIOM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001449135491 929548984 /nfs/dbraw/zinc/54/89/84/929548984.db2.gz GIWLZLJUSGVUQF-NEPJUHHUSA-N 2 1 309.370 -1.511 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001449147174 929554293 /nfs/dbraw/zinc/55/42/93/929554293.db2.gz FLKMIGNSOMEYLG-FRRDWIJNSA-N 2 1 303.403 -1.503 20 0 DAADMP CN(C[C@H](O)CNCc1cnnn1C)C(=O)Cc1ncc[nH]1 ZINC001449167165 929558825 /nfs/dbraw/zinc/55/88/25/929558825.db2.gz SJFXXIMTOITQTC-LLVKDONJSA-N 2 1 307.358 -1.310 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001449188474 929562672 /nfs/dbraw/zinc/56/26/72/929562672.db2.gz MLMXOVJNVDUOES-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[NH+]1CCCC1 ZINC001449196889 929565854 /nfs/dbraw/zinc/56/58/54/929565854.db2.gz URHMGLFABSNUCB-CYBMUJFWSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449250282 929575347 /nfs/dbraw/zinc/57/53/47/929575347.db2.gz WMHVMPHJEVCRGL-KBPBESRZSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449250282 929575358 /nfs/dbraw/zinc/57/53/58/929575358.db2.gz WMHVMPHJEVCRGL-KBPBESRZSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449250282 929575367 /nfs/dbraw/zinc/57/53/67/929575367.db2.gz WMHVMPHJEVCRGL-KBPBESRZSA-N 2 1 324.429 -1.019 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001521504476 929663614 /nfs/dbraw/zinc/66/36/14/929663614.db2.gz VAMNSDODQCNPNO-OLZOCXBDSA-N 2 1 311.430 -1.454 20 0 DAADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1CO ZINC001522419573 929668073 /nfs/dbraw/zinc/66/80/73/929668073.db2.gz YTQSADZXHRXYRO-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001528007702 929792186 /nfs/dbraw/zinc/79/21/86/929792186.db2.gz ULRRZCQTIRMJHW-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001528007702 929792202 /nfs/dbraw/zinc/79/22/02/929792202.db2.gz ULRRZCQTIRMJHW-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001528007702 929792212 /nfs/dbraw/zinc/79/22/12/929792212.db2.gz ULRRZCQTIRMJHW-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528007702 929792225 /nfs/dbraw/zinc/79/22/25/929792225.db2.gz ULRRZCQTIRMJHW-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528175911 929797035 /nfs/dbraw/zinc/79/70/35/929797035.db2.gz AWYGHALSNDRJNP-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528175911 929797052 /nfs/dbraw/zinc/79/70/52/929797052.db2.gz AWYGHALSNDRJNP-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548625644 930036053 /nfs/dbraw/zinc/03/60/53/930036053.db2.gz VSGQIWHKYXYAQE-TZMCWYRMSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548625644 930036065 /nfs/dbraw/zinc/03/60/65/930036065.db2.gz VSGQIWHKYXYAQE-TZMCWYRMSA-N 2 1 323.441 -1.299 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC001548700842 930039186 /nfs/dbraw/zinc/03/91/86/930039186.db2.gz DQWFYGLKMJVAOG-RBSFLKMASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001548700842 930039194 /nfs/dbraw/zinc/03/91/94/930039194.db2.gz DQWFYGLKMJVAOG-RBSFLKMASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC001548700842 930039202 /nfs/dbraw/zinc/03/92/02/930039202.db2.gz DQWFYGLKMJVAOG-RBSFLKMASA-N 2 1 307.442 -1.119 20 0 DAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001549044662 930046385 /nfs/dbraw/zinc/04/63/85/930046385.db2.gz GWOKROTWWYCAGT-VXGBXAGGSA-N 2 1 320.397 -1.239 20 0 DAADMP Cn1nccc1[C@@H]1[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC(=O)N1C ZINC001549043947 930048438 /nfs/dbraw/zinc/04/84/38/930048438.db2.gz SHBDNRWFTPFOCW-ABAIWWIYSA-N 2 1 320.397 -1.287 20 0 DAADMP Cn1nccc1[C@H]1[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC(=O)N1C ZINC001549043952 930048910 /nfs/dbraw/zinc/04/89/10/930048910.db2.gz SHBDNRWFTPFOCW-XHDPSFHLSA-N 2 1 320.397 -1.287 20 0 DAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290541 930052153 /nfs/dbraw/zinc/05/21/53/930052153.db2.gz SHCUBTQYVPXGCQ-NEPJUHHUSA-N 2 1 310.398 -1.179 20 0 DAADMP CN1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001550115546 930063464 /nfs/dbraw/zinc/06/34/64/930063464.db2.gz BETCWOFXGDTPLE-KBPBESRZSA-N 2 1 323.441 -1.297 20 0 DAADMP CNC(=O)[C@]12C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2 ZINC001551412275 930067353 /nfs/dbraw/zinc/06/73/53/930067353.db2.gz UUZPEMRMRNMRLO-CZUORRHYSA-N 2 1 324.425 -1.107 20 0 DAADMP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC001552086645 930068621 /nfs/dbraw/zinc/06/86/21/930068621.db2.gz OLGAJYQJGIXKGK-YPMHNXCESA-N 2 1 308.386 -1.246 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200598 930070983 /nfs/dbraw/zinc/07/09/83/930070983.db2.gz RFKNCQQGRVDGQV-DOMZBBRYSA-N 2 1 310.398 -1.497 20 0 DAADMP C[C@H]1Cn2nc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001553351101 930073790 /nfs/dbraw/zinc/07/37/90/930073790.db2.gz JBECJUYWPPRBCZ-JTQLQIEISA-N 2 1 306.370 -1.464 20 0 DAADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553349158 930075730 /nfs/dbraw/zinc/07/57/30/930075730.db2.gz CXCSUQDKTCXDQU-WFASDCNBSA-N 3 1 309.414 -1.924 20 0 DAADMP CN1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553349158 930075739 /nfs/dbraw/zinc/07/57/39/930075739.db2.gz CXCSUQDKTCXDQU-WFASDCNBSA-N 2 1 309.414 -1.924 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394460421 545644931 /nfs/dbraw/zinc/64/49/31/545644931.db2.gz QAOUENYHQKSYES-JSGCOSHPSA-N 2 1 311.430 -1.408 20 0 DAADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000351553285 545722731 /nfs/dbraw/zinc/72/27/31/545722731.db2.gz AOVZWQJLBKYYRZ-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419365492 545765198 /nfs/dbraw/zinc/76/51/98/545765198.db2.gz XMKLWVHAWQKFER-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877789 545769313 /nfs/dbraw/zinc/76/93/13/545769313.db2.gz IQJQMPYXIGIJIL-NEPJUHHUSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877789 545769317 /nfs/dbraw/zinc/76/93/17/545769317.db2.gz IQJQMPYXIGIJIL-NEPJUHHUSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718570 372787742 /nfs/dbraw/zinc/78/77/42/372787742.db2.gz ZWKRJOBCNVPWIS-BQUFFADESA-N 2 1 310.398 -1.624 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H]1[NH3+] ZINC000643592933 372771950 /nfs/dbraw/zinc/77/19/50/372771950.db2.gz JBMDBFGQBZSIDD-VXGBXAGGSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H]1[NH3+] ZINC000643592933 372771959 /nfs/dbraw/zinc/77/19/59/372771959.db2.gz JBMDBFGQBZSIDD-VXGBXAGGSA-N 2 1 312.414 -1.293 20 0 DAADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000383822117 372781731 /nfs/dbraw/zinc/78/17/31/372781731.db2.gz QZWCMPNONIDZDT-LLVKDONJSA-N 2 1 306.432 -1.335 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000642773402 372799557 /nfs/dbraw/zinc/79/95/57/372799557.db2.gz WDTWLYQVFHRAMG-YPMHNXCESA-N 2 1 311.430 -1.313 20 0 DAADMP C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627355368 372842651 /nfs/dbraw/zinc/84/26/51/372842651.db2.gz FGXYHTDDGUHLCJ-RYUDHWBXSA-N 2 1 316.402 -1.697 20 0 DAADMP C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627355368 372842654 /nfs/dbraw/zinc/84/26/54/372842654.db2.gz FGXYHTDDGUHLCJ-RYUDHWBXSA-N 2 1 316.402 -1.697 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H](C[NH3+])C1 ZINC000583434834 372866778 /nfs/dbraw/zinc/86/67/78/372866778.db2.gz FSPMACRUXZSQOI-CJNGLKHVSA-N 2 1 323.441 -1.358 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562822553 372885433 /nfs/dbraw/zinc/88/54/33/372885433.db2.gz APMHBJFUHZIYOJ-CYBMUJFWSA-N 2 1 313.446 -1.064 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562822556 372885570 /nfs/dbraw/zinc/88/55/70/372885570.db2.gz APMHBJFUHZIYOJ-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536532836 372925312 /nfs/dbraw/zinc/92/53/12/372925312.db2.gz BGCNGOIVKJHLGV-CQSZACIVSA-N 2 1 323.441 -1.391 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000601344207 372940358 /nfs/dbraw/zinc/94/03/58/372940358.db2.gz VFPVOUMHJFGRJO-WDEREUQCSA-N 2 1 321.399 -1.859 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000601344195 372941488 /nfs/dbraw/zinc/94/14/88/372941488.db2.gz VFPVOUMHJFGRJO-GHMZBOCLSA-N 2 1 321.399 -1.859 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C)C1 ZINC000602515795 373063626 /nfs/dbraw/zinc/06/36/26/373063626.db2.gz ZTQQSVRVNDOTJG-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C)C1 ZINC000602515795 373063628 /nfs/dbraw/zinc/06/36/28/373063628.db2.gz ZTQQSVRVNDOTJG-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1CCO ZINC000637039227 373073720 /nfs/dbraw/zinc/07/37/20/373073720.db2.gz WFUHBLBTYHRCBG-UHFFFAOYSA-N 2 1 313.446 -1.010 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317087096 373084095 /nfs/dbraw/zinc/08/40/95/373084095.db2.gz PATUVPRFILJBLP-QWRGUYRKSA-N 2 1 311.386 -1.239 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317087096 373084102 /nfs/dbraw/zinc/08/41/02/373084102.db2.gz PATUVPRFILJBLP-QWRGUYRKSA-N 2 1 311.386 -1.239 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000571643154 373163548 /nfs/dbraw/zinc/16/35/48/373163548.db2.gz VENQFRFRSGUHQH-JTQLQIEISA-N 2 1 300.359 -1.843 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000571643154 373163556 /nfs/dbraw/zinc/16/35/56/373163556.db2.gz VENQFRFRSGUHQH-JTQLQIEISA-N 2 1 300.359 -1.843 20 0 DAADMP Cn1c(N)c(C(=O)C[NH+]2CCC(CC[NH3+])CC2)c(=O)n(C)c1=O ZINC000563276030 373125654 /nfs/dbraw/zinc/12/56/54/373125654.db2.gz VLVAAAAVAITPBF-UHFFFAOYSA-N 2 1 323.397 -1.090 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000571185369 373142552 /nfs/dbraw/zinc/14/25/52/373142552.db2.gz FHQFDAYWTIJONL-AAXDQBDMSA-N 2 1 310.398 -1.481 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000571185373 373142790 /nfs/dbraw/zinc/14/27/90/373142790.db2.gz FHQFDAYWTIJONL-UKJIMTQDSA-N 2 1 310.398 -1.481 20 0 DAADMP O=C(CN1CC[NH2+]CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638173831 373211847 /nfs/dbraw/zinc/21/18/47/373211847.db2.gz KZKHRMZHVADNRC-ZDUSSCGKSA-N 2 1 309.414 -1.686 20 0 DAADMP O=C(CCC1C[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349535 373214834 /nfs/dbraw/zinc/21/48/34/373214834.db2.gz PFXFOAROEMOAOW-UHFFFAOYSA-N 2 1 316.427 -1.568 20 0 DAADMP O[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@H]1O ZINC000278708284 373191072 /nfs/dbraw/zinc/19/10/72/373191072.db2.gz KBDWGVGZJWIHMF-FPCVCCKLSA-N 2 1 308.378 -1.239 20 0 DAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638495296 373225707 /nfs/dbraw/zinc/22/57/07/373225707.db2.gz JRUPFKYPSSNLMK-HUBLWGQQSA-N 2 1 310.398 -1.322 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985905 373329174 /nfs/dbraw/zinc/32/91/74/373329174.db2.gz LFWPQMNGUKYBFG-OLZOCXBDSA-N 2 1 313.446 -1.066 20 0 DAADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639945845 373303584 /nfs/dbraw/zinc/30/35/84/373303584.db2.gz YDUKZYUGXSLLDU-NILFDRSVSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639945845 373303594 /nfs/dbraw/zinc/30/35/94/373303594.db2.gz YDUKZYUGXSLLDU-NILFDRSVSA-N 2 1 313.398 -1.090 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627386680 373316730 /nfs/dbraw/zinc/31/67/30/373316730.db2.gz UZADZJRBYYHJRH-LBPRGKRZSA-N 2 1 316.402 -1.743 20 0 DAADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567111344 373317752 /nfs/dbraw/zinc/31/77/52/373317752.db2.gz WNTUUNLPJXJSSM-LLVKDONJSA-N 2 1 314.386 -1.547 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419288678 373319284 /nfs/dbraw/zinc/31/92/84/373319284.db2.gz RVGSYGWZEKDSMF-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419365485 373320652 /nfs/dbraw/zinc/32/06/52/373320652.db2.gz XMKLWVHAWQKFER-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000420204074 373324431 /nfs/dbraw/zinc/32/44/31/373324431.db2.gz RYEQSUBWKGCXSV-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000420204074 373324437 /nfs/dbraw/zinc/32/44/37/373324437.db2.gz RYEQSUBWKGCXSV-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000627390486 373326352 /nfs/dbraw/zinc/32/63/52/373326352.db2.gz NIFCTOARDJDWKR-UHFFFAOYSA-N 2 1 316.402 -1.741 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572402398 373339891 /nfs/dbraw/zinc/33/98/91/373339891.db2.gz KFDUVPOLOMIZBQ-CMPLNLGQSA-N 2 1 316.427 -1.570 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424021230 373348609 /nfs/dbraw/zinc/34/86/09/373348609.db2.gz BCFZGQZBLATNIS-NSHDSACASA-N 2 1 304.416 -1.585 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000629801413 373405566 /nfs/dbraw/zinc/40/55/66/373405566.db2.gz LYTYETYPVIIINL-CYBMUJFWSA-N 2 1 312.414 -1.026 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000629805355 373408794 /nfs/dbraw/zinc/40/87/94/373408794.db2.gz YNACDKXILMMJCY-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913578 373413115 /nfs/dbraw/zinc/41/31/15/373413115.db2.gz LLISRGCUCCIGHN-OLZOCXBDSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000629819326 373414150 /nfs/dbraw/zinc/41/41/50/373414150.db2.gz JYGOWKCOEYOZJW-OAHLLOKOSA-N 2 1 312.414 -1.026 20 0 DAADMP C[NH+]1CCN(C(=O)Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000640836634 373420185 /nfs/dbraw/zinc/42/01/85/373420185.db2.gz ATTGADVAEUHOGW-UHFFFAOYSA-N 2 1 307.402 -1.543 20 0 DAADMP O=S(=O)(CCn1ccnc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000641567378 373427316 /nfs/dbraw/zinc/42/73/16/373427316.db2.gz DMFLDEBDSFDVFR-NWDGAFQWSA-N 2 1 300.384 -1.036 20 0 DAADMP O=S(=O)(CCn1ccnc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000641567378 373427323 /nfs/dbraw/zinc/42/73/23/373427323.db2.gz DMFLDEBDSFDVFR-NWDGAFQWSA-N 2 1 300.384 -1.036 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000641824966 373429994 /nfs/dbraw/zinc/42/99/94/373429994.db2.gz OVSQWOQTDKHZHN-GFCCVEGCSA-N 2 1 311.430 -1.360 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000641824966 373429997 /nfs/dbraw/zinc/42/99/97/373429997.db2.gz OVSQWOQTDKHZHN-GFCCVEGCSA-N 2 1 311.430 -1.360 20 0 DAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629579728 373400277 /nfs/dbraw/zinc/40/02/77/373400277.db2.gz QDVVGCAHRUQAAK-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP CC[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000629615426 373400401 /nfs/dbraw/zinc/40/04/01/373400401.db2.gz OXVOMPSQDYNNAT-GFCCVEGCSA-N 2 1 318.443 -1.228 20 0 DAADMP CC[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000629615429 373401345 /nfs/dbraw/zinc/40/13/45/373401345.db2.gz OXVOMPSQDYNNAT-LBPRGKRZSA-N 2 1 318.443 -1.228 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642222693 373438932 /nfs/dbraw/zinc/43/89/32/373438932.db2.gz VZJKANLVHYZVSS-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642222692 373439352 /nfs/dbraw/zinc/43/93/52/373439352.db2.gz VZJKANLVHYZVSS-RYUDHWBXSA-N 2 1 300.403 -1.077 20 0 DAADMP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)[N@@H+]1CCO ZINC000567249291 373534535 /nfs/dbraw/zinc/53/45/35/373534535.db2.gz PGONXYXNXZWPHO-HZSPNIEDSA-N 2 1 313.446 -1.014 20 0 DAADMP [NH3+]CC(=O)NCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554288112 373512170 /nfs/dbraw/zinc/51/21/70/373512170.db2.gz MBWZOFPBNVOOKU-UHFFFAOYSA-N 2 1 319.409 -1.000 20 0 DAADMP CCS(=O)(=O)NCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000566244710 373526991 /nfs/dbraw/zinc/52/69/91/373526991.db2.gz XYGPRGPLYDBPJO-UHFFFAOYSA-N 2 1 306.432 -1.321 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528364 /nfs/dbraw/zinc/52/83/64/373528364.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 1 316.446 -1.289 20 0 DAADMP CC(C)CN1CCO[C@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528372 /nfs/dbraw/zinc/52/83/72/373528372.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 1 316.446 -1.289 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000566511384 373531703 /nfs/dbraw/zinc/53/17/03/373531703.db2.gz QMWOXNBICJYRMO-NSHDSACASA-N 2 1 311.386 -2.255 20 0 DAADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)[N@@H+]1CCO ZINC000567249292 373533939 /nfs/dbraw/zinc/53/39/39/373533939.db2.gz PGONXYXNXZWPHO-MJBXVCDLSA-N 2 1 313.446 -1.014 20 0 DAADMP C[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000578866348 373586552 /nfs/dbraw/zinc/58/65/52/373586552.db2.gz RLSUTGVOZVLBTG-ZDUSSCGKSA-N 2 1 316.427 -1.568 20 0 DAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000580883243 373597220 /nfs/dbraw/zinc/59/72/20/373597220.db2.gz CCVNVFMUQCFARM-UHFFFAOYSA-N 3 1 323.388 -1.352 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568235194 373541655 /nfs/dbraw/zinc/54/16/55/373541655.db2.gz JPUJRKFCQLNKQI-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000568373620 373544544 /nfs/dbraw/zinc/54/45/44/373544544.db2.gz OVUIEYBKOBQGIJ-WCQYABFASA-N 2 1 309.414 -1.559 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000568373618 373544579 /nfs/dbraw/zinc/54/45/79/373544579.db2.gz OVUIEYBKOBQGIJ-AAEUAGOBSA-N 2 1 309.414 -1.559 20 0 DAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000579942145 373594854 /nfs/dbraw/zinc/59/48/54/373594854.db2.gz CHHHSRVTVQNTCI-RDBSUJKOSA-N 2 1 324.425 -1.278 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000573724120 373555700 /nfs/dbraw/zinc/55/57/00/373555700.db2.gz RDXNJVCSXVCAAC-ZDUSSCGKSA-N 3 1 311.430 -1.405 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000573724120 373555705 /nfs/dbraw/zinc/55/57/05/373555705.db2.gz RDXNJVCSXVCAAC-ZDUSSCGKSA-N 2 1 311.430 -1.405 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000573724120 373555712 /nfs/dbraw/zinc/55/57/12/373555712.db2.gz RDXNJVCSXVCAAC-ZDUSSCGKSA-N 2 1 311.430 -1.405 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556332 /nfs/dbraw/zinc/55/63/32/373556332.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556338 /nfs/dbraw/zinc/55/63/38/373556338.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556354 /nfs/dbraw/zinc/55/63/54/373556354.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 1 323.459 -1.074 20 0 DAADMP CCN1CCN(C(=O)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000576758184 373571583 /nfs/dbraw/zinc/57/15/83/373571583.db2.gz GSJZMQKEWTYSMM-CQSZACIVSA-N 2 1 323.441 -1.343 20 0 DAADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000576758184 373571591 /nfs/dbraw/zinc/57/15/91/373571591.db2.gz GSJZMQKEWTYSMM-CQSZACIVSA-N 2 1 323.441 -1.343 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000618306136 373630793 /nfs/dbraw/zinc/63/07/93/373630793.db2.gz UMLKDKGYRKSPIN-GFCCVEGCSA-N 2 1 300.403 -1.205 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000618306136 373630800 /nfs/dbraw/zinc/63/08/00/373630800.db2.gz UMLKDKGYRKSPIN-GFCCVEGCSA-N 2 1 300.403 -1.205 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621839288 373648023 /nfs/dbraw/zinc/64/80/23/373648023.db2.gz QNJMUNDZEXXMMU-XJKCOSOUSA-N 2 1 323.441 -1.312 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621839286 373649115 /nfs/dbraw/zinc/64/91/15/373649115.db2.gz QNJMUNDZEXXMMU-IOASZLSFSA-N 2 1 323.441 -1.312 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627351393 373656041 /nfs/dbraw/zinc/65/60/41/373656041.db2.gz QMWOXNBICJYRMO-LLVKDONJSA-N 2 1 311.386 -2.255 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627349671 373656261 /nfs/dbraw/zinc/65/62/61/373656261.db2.gz VVLVGOCLHQWPQO-NTZNESFSSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624042292 373664655 /nfs/dbraw/zinc/66/46/55/373664655.db2.gz YHRTYPUZVSGDRY-SECBINFHSA-N 2 1 306.374 -1.560 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627365688 373670410 /nfs/dbraw/zinc/67/04/10/373670410.db2.gz WTMWLVDOORPLJW-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627463344 373680029 /nfs/dbraw/zinc/68/00/29/373680029.db2.gz UWABIUXPMCYMTA-UHFFFAOYSA-N 2 1 312.414 -1.107 20 0 DAADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470473 373682384 /nfs/dbraw/zinc/68/23/84/373682384.db2.gz STSVUYKEGFHSFI-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475677 373684387 /nfs/dbraw/zinc/68/43/87/373684387.db2.gz RYDBCKSIWMXRKY-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086883 373726002 /nfs/dbraw/zinc/72/60/02/373726002.db2.gz BEDXOWGTBNBZBC-RYUDHWBXSA-N 2 1 310.398 -1.526 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633087722 373726586 /nfs/dbraw/zinc/72/65/86/373726586.db2.gz LSKUEDGDUYIAGX-BETUJISGSA-N 2 1 324.425 -1.136 20 0 DAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633093674 373728333 /nfs/dbraw/zinc/72/83/33/373728333.db2.gz VXRPATRMGGGORI-KBPBESRZSA-N 2 1 323.441 -1.345 20 0 DAADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102712 373729336 /nfs/dbraw/zinc/72/93/36/373729336.db2.gz XGOZZFHHXQAZMG-IHRRRGAJSA-N 2 1 322.409 -1.260 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419349660 269709156 /nfs/dbraw/zinc/70/91/56/269709156.db2.gz DPGLDGOLRGJGAP-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469446 782004542 /nfs/dbraw/zinc/00/45/42/782004542.db2.gz QBAMSVCEGGDPQG-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469446 782004550 /nfs/dbraw/zinc/00/45/50/782004550.db2.gz QBAMSVCEGGDPQG-LLVKDONJSA-N 2 1 323.397 -1.190 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487507 782008008 /nfs/dbraw/zinc/00/80/08/782008008.db2.gz AHLIJIQYBJCZKG-NWDGAFQWSA-N 2 1 300.403 -1.029 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655297541 409329071 /nfs/dbraw/zinc/32/90/71/409329071.db2.gz LNPOBDPWXNYNEY-MELADBBJSA-N 2 1 324.425 -1.326 20 0 DAADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636746305 409385386 /nfs/dbraw/zinc/38/53/86/409385386.db2.gz GPNRJIZTIWPAGC-KBPBESRZSA-N 2 1 313.446 -1.012 20 0 DAADMP COC(=O)[C@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000411901280 409398262 /nfs/dbraw/zinc/39/82/62/409398262.db2.gz GFPYNYSRQCOPBV-CYBMUJFWSA-N 2 1 312.414 -1.203 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC000126096062 409333757 /nfs/dbraw/zinc/33/37/57/409333757.db2.gz UKSQRZMVYOBXMW-ZDUSSCGKSA-N 2 1 300.403 -1.076 20 0 DAADMP COCCCS(=O)(=O)NCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835612 409399500 /nfs/dbraw/zinc/39/95/00/409399500.db2.gz FHRJCLWZVXLOBA-UHFFFAOYSA-N 2 1 322.475 -1.221 20 0 DAADMP COCCCS(=O)(=O)NCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835612 409399508 /nfs/dbraw/zinc/39/95/08/409399508.db2.gz FHRJCLWZVXLOBA-UHFFFAOYSA-N 2 1 322.475 -1.221 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652735553 409407642 /nfs/dbraw/zinc/40/76/42/409407642.db2.gz NEWZKVMSGFETAM-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652735553 409407645 /nfs/dbraw/zinc/40/76/45/409407645.db2.gz NEWZKVMSGFETAM-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000652734544 409408157 /nfs/dbraw/zinc/40/81/57/409408157.db2.gz OGEPPRRXLJWRBN-CQSZACIVSA-N 2 1 323.441 -1.391 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)[N@@H+](C)C1 ZINC000330542263 409420646 /nfs/dbraw/zinc/42/06/46/409420646.db2.gz AIHWERKGISAIBK-RDBSUJKOSA-N 2 1 315.414 -1.143 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000347907255 409449437 /nfs/dbraw/zinc/44/94/37/409449437.db2.gz XOSSJGPMDMQDJB-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)[N@@H+]1CCO ZINC000333860701 409467475 /nfs/dbraw/zinc/46/74/75/409467475.db2.gz RZGDQFXQOYGAJD-OKILXGFUSA-N 2 1 313.446 -1.012 20 0 DAADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000353641085 409475777 /nfs/dbraw/zinc/47/57/77/409475777.db2.gz ODPUBFLYKCMDQI-LLVKDONJSA-N 2 1 311.386 -2.044 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000355151318 409483158 /nfs/dbraw/zinc/48/31/58/409483158.db2.gz SUXKXFXOIIZJLO-GXTWGEPZSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355151318 409483162 /nfs/dbraw/zinc/48/31/62/409483162.db2.gz SUXKXFXOIIZJLO-GXTWGEPZSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355151318 409483165 /nfs/dbraw/zinc/48/31/65/409483165.db2.gz SUXKXFXOIIZJLO-GXTWGEPZSA-N 2 1 323.441 -1.299 20 0 DAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355302975 409482120 /nfs/dbraw/zinc/48/21/20/409482120.db2.gz WJFUPJGWFHHDRD-CHWSQXEVSA-N 2 1 313.446 -1.195 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000429673069 409561472 /nfs/dbraw/zinc/56/14/72/409561472.db2.gz ULXUARWLTURATD-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000429673069 409561484 /nfs/dbraw/zinc/56/14/84/409561484.db2.gz ULXUARWLTURATD-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512046 409561857 /nfs/dbraw/zinc/56/18/57/409561857.db2.gz CTPNMVYJBSYVBO-SYQHCUMBSA-N 2 1 324.425 -1.422 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512046 409561875 /nfs/dbraw/zinc/56/18/75/409561875.db2.gz CTPNMVYJBSYVBO-SYQHCUMBSA-N 2 1 324.425 -1.422 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000429673068 409563936 /nfs/dbraw/zinc/56/39/36/409563936.db2.gz ULXUARWLTURATD-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000429673068 409563944 /nfs/dbraw/zinc/56/39/44/409563944.db2.gz ULXUARWLTURATD-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP Cn1c2ncn(CC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000359313366 409500842 /nfs/dbraw/zinc/50/08/42/409500842.db2.gz VUYWVWAXDUJALU-PHIMTYICSA-N 2 1 318.381 -1.415 20 0 DAADMP Cn1c2ncn(CC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000359313366 409500845 /nfs/dbraw/zinc/50/08/45/409500845.db2.gz VUYWVWAXDUJALU-PHIMTYICSA-N 2 1 318.381 -1.415 20 0 DAADMP CCNC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000361452132 409510190 /nfs/dbraw/zinc/51/01/90/409510190.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CCNC(=O)CN1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000361452132 409510191 /nfs/dbraw/zinc/51/01/91/409510191.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659706605 409526977 /nfs/dbraw/zinc/52/69/77/409526977.db2.gz NRPKEQGQOQXBFB-AVERBVTBSA-N 2 1 310.398 -1.227 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621232 409570940 /nfs/dbraw/zinc/57/09/40/409570940.db2.gz CLJKZDAWGPUXSE-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617781 409570958 /nfs/dbraw/zinc/57/09/58/409570958.db2.gz OYINJWYQYXFKIS-GFCCVEGCSA-N 2 1 318.443 -1.321 20 0 DAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430600650 409571417 /nfs/dbraw/zinc/57/14/17/409571417.db2.gz BRAOTTRHIWEDJF-LLVKDONJSA-N 2 1 311.386 -2.268 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617782 409571824 /nfs/dbraw/zinc/57/18/24/409571824.db2.gz OYINJWYQYXFKIS-LBPRGKRZSA-N 2 1 318.443 -1.321 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621233 409571870 /nfs/dbraw/zinc/57/18/70/409571870.db2.gz CLJKZDAWGPUXSE-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659711384 409692241 /nfs/dbraw/zinc/69/22/41/409692241.db2.gz XMAQBJCIDRMQJI-ZDUSSCGKSA-N 2 1 311.430 -1.392 20 0 DAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659715005 409692944 /nfs/dbraw/zinc/69/29/44/409692944.db2.gz QCTPINVPJFQHEE-CHWSQXEVSA-N 2 1 322.409 -1.166 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659755681 409697540 /nfs/dbraw/zinc/69/75/40/409697540.db2.gz KSBZLQIVPAESPH-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659742987 409698691 /nfs/dbraw/zinc/69/86/91/409698691.db2.gz XGYSJVCPFLAYJY-YNEHKIRRSA-N 2 1 312.414 -1.247 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000659689717 409688186 /nfs/dbraw/zinc/68/81/86/409688186.db2.gz IUMIMBHCWNZMGY-GFCCVEGCSA-N 2 1 313.446 -1.147 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659699761 409688353 /nfs/dbraw/zinc/68/83/53/409688353.db2.gz VMRUPICDAARCRC-VXGBXAGGSA-N 2 1 318.393 -1.031 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659707284 409688596 /nfs/dbraw/zinc/68/85/96/409688596.db2.gz UFPUTBYTLGTGPK-QJPTWQEYSA-N 2 1 316.377 -1.279 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000659697797 409688969 /nfs/dbraw/zinc/68/89/69/409688969.db2.gz VRRHEPWEDGZSDD-AKUZOMFGSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697797 409688974 /nfs/dbraw/zinc/68/89/74/409688974.db2.gz VRRHEPWEDGZSDD-AKUZOMFGSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000659697800 409689059 /nfs/dbraw/zinc/68/90/59/409689059.db2.gz VRRHEPWEDGZSDD-DILZAHMFSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000659697800 409689072 /nfs/dbraw/zinc/68/90/72/409689072.db2.gz VRRHEPWEDGZSDD-DILZAHMFSA-N 2 1 310.398 -1.310 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000659709751 409689821 /nfs/dbraw/zinc/68/98/21/409689821.db2.gz LNSLBWDCNHTDHE-QWHCGFSZSA-N 2 1 313.446 -1.290 20 0 DAADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1F ZINC000659706313 409690402 /nfs/dbraw/zinc/69/04/02/409690402.db2.gz LIWJQHPNKMWVRW-VXGBXAGGSA-N 2 1 316.377 -1.277 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000659688645 409690548 /nfs/dbraw/zinc/69/05/48/409690548.db2.gz DPTJCNWLWHWTCJ-GFCCVEGCSA-N 2 1 313.446 -1.147 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000659691617 409690740 /nfs/dbraw/zinc/69/07/40/409690740.db2.gz LOIUAGZWQHMPGL-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCS(N)(=O)=O ZINC000663824502 409728776 /nfs/dbraw/zinc/72/87/76/409728776.db2.gz OYTCSCSANPQJJR-NSHDSACASA-N 2 1 323.463 -1.154 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCS(N)(=O)=O ZINC000663824502 409728779 /nfs/dbraw/zinc/72/87/79/409728779.db2.gz OYTCSCSANPQJJR-NSHDSACASA-N 2 1 323.463 -1.154 20 0 DAADMP Cc1cc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)no1 ZINC000584361814 409767182 /nfs/dbraw/zinc/76/71/82/409767182.db2.gz DVINTTJOXWJSSU-QWRGUYRKSA-N 2 1 307.354 -0.445 20 0 DAADMP Cc1cc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)no1 ZINC000584361814 409767192 /nfs/dbraw/zinc/76/71/92/409767192.db2.gz DVINTTJOXWJSSU-QWRGUYRKSA-N 2 1 307.354 -0.445 20 0 DAADMP Cc1cc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)no1 ZINC000584361815 409767908 /nfs/dbraw/zinc/76/79/08/409767908.db2.gz DVINTTJOXWJSSU-WDEREUQCSA-N 2 1 307.354 -0.445 20 0 DAADMP Cc1cc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)no1 ZINC000584361815 409767915 /nfs/dbraw/zinc/76/79/15/409767915.db2.gz DVINTTJOXWJSSU-WDEREUQCSA-N 2 1 307.354 -0.445 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662747531 409717214 /nfs/dbraw/zinc/71/72/14/409717214.db2.gz WXUYKSWVHTVAKH-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662747529 409717342 /nfs/dbraw/zinc/71/73/42/409717342.db2.gz WXUYKSWVHTVAKH-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP [NH3+][C@H]1C[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662817267 409718515 /nfs/dbraw/zinc/71/85/15/409718515.db2.gz UHJGVYZSSFAXAE-MGCOHNPYSA-N 2 1 302.400 -1.831 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662747528 409719016 /nfs/dbraw/zinc/71/90/16/409719016.db2.gz WXUYKSWVHTVAKH-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP Cc1ccc(NCCCNC(=O)C(=O)N(CC[NH3+])CCO)[nH+]c1 ZINC000419110985 409786350 /nfs/dbraw/zinc/78/63/50/409786350.db2.gz ZOKJLMRUBMBYHW-UHFFFAOYSA-N 2 1 323.397 -0.912 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCC1 ZINC001193774192 782013236 /nfs/dbraw/zinc/01/32/36/782013236.db2.gz JVMKTYHTHBXSRQ-CHWSQXEVSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCC1 ZINC001193774192 782013244 /nfs/dbraw/zinc/01/32/44/782013244.db2.gz JVMKTYHTHBXSRQ-CHWSQXEVSA-N 2 1 322.413 -1.076 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685337240 545893637 /nfs/dbraw/zinc/89/36/37/545893637.db2.gz HETKAVRAPPUESQ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337240 545893641 /nfs/dbraw/zinc/89/36/41/545893641.db2.gz HETKAVRAPPUESQ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001194095692 782028027 /nfs/dbraw/zinc/02/80/27/782028027.db2.gz LTTOCSQZOHWXPH-JHJVBQTASA-N 2 1 310.402 -1.220 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001194095692 782028034 /nfs/dbraw/zinc/02/80/34/782028034.db2.gz LTTOCSQZOHWXPH-JHJVBQTASA-N 2 1 310.402 -1.220 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354695859 262568464 /nfs/dbraw/zinc/56/84/64/262568464.db2.gz RUOJAOQFZIZDSP-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000517937506 262658471 /nfs/dbraw/zinc/65/84/71/262658471.db2.gz VKOAXGZQSQNRBW-DOMZBBRYSA-N 2 1 310.398 -1.227 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419352002 263218692 /nfs/dbraw/zinc/21/86/92/263218692.db2.gz IGRLPCFVIDQCAN-RYUDHWBXSA-N 2 1 300.403 -1.124 20 0 DAADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040983 263225252 /nfs/dbraw/zinc/22/52/52/263225252.db2.gz MUJBYYPEXLVRRF-GFCCVEGCSA-N 2 1 318.443 -1.337 20 0 DAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000262281287 263225296 /nfs/dbraw/zinc/22/52/96/263225296.db2.gz NWVDJOMXDSZEMO-YPMHNXCESA-N 2 1 314.386 -2.072 20 0 DAADMP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000521041623 263225481 /nfs/dbraw/zinc/22/54/81/263225481.db2.gz SHHINGNSJSGTIK-GFCCVEGCSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000520647652 263228810 /nfs/dbraw/zinc/22/88/10/263228810.db2.gz YQNQJFCICAUYSD-QWHCGFSZSA-N 2 1 313.446 -1.195 20 0 DAADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436048471 263230166 /nfs/dbraw/zinc/23/01/66/263230166.db2.gz FFASQJZPYLILHX-NSHDSACASA-N 2 1 306.432 -1.145 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436048471 263230168 /nfs/dbraw/zinc/23/01/68/263230168.db2.gz FFASQJZPYLILHX-NSHDSACASA-N 2 1 306.432 -1.145 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000419306979 263230859 /nfs/dbraw/zinc/23/08/59/263230859.db2.gz ZGZHMIBGACITST-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000333819408 263234317 /nfs/dbraw/zinc/23/43/17/263234317.db2.gz KQTHMBVYVXQDJM-KGLIPLIRSA-N 2 1 313.446 -1.012 20 0 DAADMP C[NH+]1CCN(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000408088564 263236643 /nfs/dbraw/zinc/23/66/43/263236643.db2.gz KADQKLQDFXHFMY-NSHDSACASA-N 2 1 304.416 -1.487 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332010443 263241049 /nfs/dbraw/zinc/24/10/49/263241049.db2.gz JXWWHTALWRBQSO-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332010443 263241053 /nfs/dbraw/zinc/24/10/53/263241053.db2.gz JXWWHTALWRBQSO-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(CCOC1C[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000521041624 263245967 /nfs/dbraw/zinc/24/59/67/263245967.db2.gz SHHINGNSJSGTIK-LBPRGKRZSA-N 2 1 310.398 -1.212 20 0 DAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420209784 263260051 /nfs/dbraw/zinc/26/00/51/263260051.db2.gz VRLFSPYWUAZYLK-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430670988 263275214 /nfs/dbraw/zinc/27/52/14/263275214.db2.gz WWCAIRPFMLWEPS-NSHDSACASA-N 2 1 311.386 -1.414 20 0 DAADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC000367226089 263277175 /nfs/dbraw/zinc/27/71/75/263277175.db2.gz TXUKJPBGMKEAOZ-CHWSQXEVSA-N 2 1 310.398 -1.260 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC000367226089 263277179 /nfs/dbraw/zinc/27/71/79/263277179.db2.gz TXUKJPBGMKEAOZ-CHWSQXEVSA-N 2 1 310.398 -1.260 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000331208096 263278296 /nfs/dbraw/zinc/27/82/96/263278296.db2.gz FOZWJVSXSCBPPU-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000331208096 263278297 /nfs/dbraw/zinc/27/82/97/263278297.db2.gz FOZWJVSXSCBPPU-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000358163892 263284921 /nfs/dbraw/zinc/28/49/21/263284921.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H]1CCN(C)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000358163892 263284923 /nfs/dbraw/zinc/28/49/23/263284923.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418926928 263286072 /nfs/dbraw/zinc/28/60/72/263286072.db2.gz SDNPRSJANZCFBE-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000262021562 263286573 /nfs/dbraw/zinc/28/65/73/263286573.db2.gz XRADZLLNXBZUKW-JTQLQIEISA-N 2 1 311.386 -1.239 20 0 DAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000423717425 263287225 /nfs/dbraw/zinc/28/72/25/263287225.db2.gz JVEYMTNOCZHBPG-UTUOFQBUSA-N 2 1 300.403 -1.295 20 0 DAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000423717425 263287226 /nfs/dbraw/zinc/28/72/26/263287226.db2.gz JVEYMTNOCZHBPG-UTUOFQBUSA-N 2 1 300.403 -1.295 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000423542143 263288236 /nfs/dbraw/zinc/28/82/36/263288236.db2.gz SYNIRUBNDWKSAL-GFCCVEGCSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000423542143 263288239 /nfs/dbraw/zinc/28/82/39/263288239.db2.gz SYNIRUBNDWKSAL-GFCCVEGCSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621231 263288568 /nfs/dbraw/zinc/28/85/68/263288568.db2.gz CLJKZDAWGPUXSE-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420169723 263288605 /nfs/dbraw/zinc/28/86/05/263288605.db2.gz MNPKXNRCMLDKNV-UHFFFAOYSA-N 2 1 310.345 -1.267 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423474535 263293030 /nfs/dbraw/zinc/29/30/30/263293030.db2.gz REXWHWFWKABOPP-LBPRGKRZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423474535 263293033 /nfs/dbraw/zinc/29/30/33/263293033.db2.gz REXWHWFWKABOPP-LBPRGKRZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423539527 263294785 /nfs/dbraw/zinc/29/47/85/263294785.db2.gz OVYZLDWYJBHGGY-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423539527 263294787 /nfs/dbraw/zinc/29/47/87/263294787.db2.gz OVYZLDWYJBHGGY-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1CN(C(=O)CN(C)CC(=O)N2CCNCC2)C[C@H](C)O1 ZINC000261986934 263296961 /nfs/dbraw/zinc/29/69/61/263296961.db2.gz SHMPMZOFEOMEBP-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419548441 263300935 /nfs/dbraw/zinc/30/09/35/263300935.db2.gz SYKXFBPYMRRUMQ-HZSPNIEDSA-N 2 1 324.425 -1.109 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419365500 263302064 /nfs/dbraw/zinc/30/20/64/263302064.db2.gz XMKLWVHAWQKFER-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332591657 263304365 /nfs/dbraw/zinc/30/43/65/263304365.db2.gz GFPLJESYNFIUMI-JHJVBQTASA-N 2 1 310.398 -1.132 20 0 DAADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419579902 263309733 /nfs/dbraw/zinc/30/97/33/263309733.db2.gz GYKOYXRSPKJZSH-LBPRGKRZSA-N 2 1 300.403 -1.243 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418914484 263310736 /nfs/dbraw/zinc/31/07/36/263310736.db2.gz FSUYFIDPNTXOPK-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000419987652 263322113 /nfs/dbraw/zinc/32/21/13/263322113.db2.gz YOQOAUONHRUTDV-YNEHKIRRSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000419987652 263322115 /nfs/dbraw/zinc/32/21/15/263322115.db2.gz YOQOAUONHRUTDV-YNEHKIRRSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424021229 263323920 /nfs/dbraw/zinc/32/39/20/263323920.db2.gz BCFZGQZBLATNIS-LLVKDONJSA-N 2 1 304.416 -1.585 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661998 782076976 /nfs/dbraw/zinc/07/69/76/782076976.db2.gz WKXIHFHAROKKCD-YNEHKIRRSA-N 2 1 315.414 -1.503 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661996 782077206 /nfs/dbraw/zinc/07/72/06/782077206.db2.gz WKXIHFHAROKKCD-JHJVBQTASA-N 2 1 315.414 -1.503 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829594 782084289 /nfs/dbraw/zinc/08/42/89/782084289.db2.gz QHYVLFYDMLJUNH-MGPQQGTHSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195829657 782085405 /nfs/dbraw/zinc/08/54/05/782085405.db2.gz SYEMCRCCERPXOR-ZIAGYGMSSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195829657 782085412 /nfs/dbraw/zinc/08/54/12/782085412.db2.gz SYEMCRCCERPXOR-ZIAGYGMSSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565480608 331680121 /nfs/dbraw/zinc/68/01/21/331680121.db2.gz GMOQONSJWCUIKD-MNOVXSKESA-N 2 1 307.350 -1.187 20 0 DAADMP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578893031 332395370 /nfs/dbraw/zinc/39/53/70/332395370.db2.gz PWYFFQSJROZUCA-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1)N1CCNCC1 ZINC000563150903 333398234 /nfs/dbraw/zinc/39/82/34/333398234.db2.gz CLTUJGCBQXIMDB-AWEZNQCLSA-N 3 1 323.441 -1.296 20 0 DAADMP O=C(CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1)N1CCNCC1 ZINC000563150903 333398235 /nfs/dbraw/zinc/39/82/35/333398235.db2.gz CLTUJGCBQXIMDB-AWEZNQCLSA-N 3 1 323.441 -1.296 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582253066 336395341 /nfs/dbraw/zinc/39/53/41/336395341.db2.gz BWXPXRJUZDSPBD-RYUDHWBXSA-N 2 1 313.402 -1.482 20 0 DAADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C[NH3+])CC1 ZINC000582786998 337165294 /nfs/dbraw/zinc/16/52/94/337165294.db2.gz WJKYGXIVEHAAKU-VIFPVBQESA-N 2 1 323.397 -1.092 20 0 DAADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572402400 337633567 /nfs/dbraw/zinc/63/35/67/337633567.db2.gz KFDUVPOLOMIZBQ-PWSUYJOCSA-N 2 1 316.427 -1.570 20 0 DAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423012549 337695523 /nfs/dbraw/zinc/69/55/23/337695523.db2.gz KWJUKABESMOBRM-CYBMUJFWSA-N 2 1 312.414 -1.027 20 0 DAADMP C[C@H]([NH3+])CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424042993 337730752 /nfs/dbraw/zinc/73/07/52/337730752.db2.gz QFGPLYDQIFZVMH-JTQLQIEISA-N 2 1 304.416 -1.440 20 0 DAADMP C[C@@H]([NH3+])CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424042995 337730759 /nfs/dbraw/zinc/73/07/59/337730759.db2.gz QFGPLYDQIFZVMH-SNVBAGLBSA-N 2 1 304.416 -1.440 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000575173377 341783074 /nfs/dbraw/zinc/78/30/74/341783074.db2.gz QTRCSYVUFQTQEL-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000575869999 341811892 /nfs/dbraw/zinc/81/18/92/341811892.db2.gz UHJGVYZSSFAXAE-AOOOYVTPSA-N 2 1 302.400 -1.831 20 0 DAADMP CO[C@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577395452 341907988 /nfs/dbraw/zinc/90/79/88/341907988.db2.gz PGZAIIWYNNJVIZ-SNVBAGLBSA-N 2 1 306.388 -2.594 20 0 DAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319372 782128412 /nfs/dbraw/zinc/12/84/12/782128412.db2.gz BSVQNCDGYIHORM-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819872 782142965 /nfs/dbraw/zinc/14/29/65/782142965.db2.gz PJNPTRVMCRYLCL-YNEHKIRRSA-N 2 1 313.398 -1.749 20 0 DAADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826015 782143004 /nfs/dbraw/zinc/14/30/04/782143004.db2.gz MDYGCNBGKCSMIN-JHJVBQTASA-N 2 1 303.403 -1.239 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825979 782142052 /nfs/dbraw/zinc/14/20/52/782142052.db2.gz KAIYTQVZCFMUNN-JHJVBQTASA-N 2 1 319.402 -2.267 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825980 782142113 /nfs/dbraw/zinc/14/21/13/782142113.db2.gz KAIYTQVZCFMUNN-YNEHKIRRSA-N 2 1 319.402 -2.267 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001198004149 782144392 /nfs/dbraw/zinc/14/43/92/782144392.db2.gz WPFSGZLLVFLANV-MGPQQGTHSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198004149 782144397 /nfs/dbraw/zinc/14/43/97/782144397.db2.gz WPFSGZLLVFLANV-MGPQQGTHSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198004149 782144402 /nfs/dbraw/zinc/14/44/02/782144402.db2.gz WPFSGZLLVFLANV-MGPQQGTHSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001198029710 782146851 /nfs/dbraw/zinc/14/68/51/782146851.db2.gz WCWPGWFVLWHETJ-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001198029710 782146856 /nfs/dbraw/zinc/14/68/56/782146856.db2.gz WCWPGWFVLWHETJ-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001198029710 782146860 /nfs/dbraw/zinc/14/68/60/782146860.db2.gz WCWPGWFVLWHETJ-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP Cn1c2ncn(CC[NH+]3CCC([NH3+])CC3)c2c(=O)n(C)c1=O ZINC000430608772 545698839 /nfs/dbraw/zinc/69/88/39/545698839.db2.gz DZBRMWLBMKEYJF-UHFFFAOYSA-N 2 1 306.370 -1.143 20 0 DAADMP C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000520647650 545720714 /nfs/dbraw/zinc/72/07/14/545720714.db2.gz YQNQJFCICAUYSD-CHWSQXEVSA-N 2 1 313.446 -1.195 20 0 DAADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332090779 545728727 /nfs/dbraw/zinc/72/87/27/545728727.db2.gz BDZJBZWDDGMGRC-CRWXNKLISA-N 2 1 324.425 -1.280 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419355009 545765318 /nfs/dbraw/zinc/76/53/18/545765318.db2.gz LRCLVYCYACUQLA-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419358942 545765780 /nfs/dbraw/zinc/76/57/80/545765780.db2.gz QCGZUINDYYYGIS-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419444191 545769174 /nfs/dbraw/zinc/76/91/74/545769174.db2.gz CCEXTMQQLLBVLF-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1C ZINC000423672374 545772040 /nfs/dbraw/zinc/77/20/40/545772040.db2.gz YDNAHPQSKURJHA-AVGNSLFASA-N 2 1 312.414 -1.424 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1C ZINC000423672374 545772043 /nfs/dbraw/zinc/77/20/43/545772043.db2.gz YDNAHPQSKURJHA-AVGNSLFASA-N 2 1 312.414 -1.424 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423646874 545772079 /nfs/dbraw/zinc/77/20/79/545772079.db2.gz QBRAIOKNZWLVGI-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423646874 545772082 /nfs/dbraw/zinc/77/20/82/545772082.db2.gz QBRAIOKNZWLVGI-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000459902588 545787909 /nfs/dbraw/zinc/78/79/09/545787909.db2.gz VXYJZKOQGBRMJR-UHFFFAOYSA-N 2 1 314.430 -1.079 20 0 DAADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023349 545810562 /nfs/dbraw/zinc/81/05/62/545810562.db2.gz ASRMRMSFDAWXAT-UONOGXRCSA-N 2 1 324.425 -1.230 20 0 DAADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656022341 545810936 /nfs/dbraw/zinc/81/09/36/545810936.db2.gz WSRBVTPQOYFIBL-ZDEQEGDKSA-N 2 1 310.398 -1.350 20 0 DAADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023134 545811282 /nfs/dbraw/zinc/81/12/82/545811282.db2.gz WGXGGGITNCEVIV-XJFOESAGSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020612 545812016 /nfs/dbraw/zinc/81/20/16/545812016.db2.gz SRHJAZGPELGLEG-RWMBFGLXSA-N 2 1 310.398 -1.478 20 0 DAADMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022769 545812105 /nfs/dbraw/zinc/81/21/05/545812105.db2.gz LTUUFFRBWMHPQG-RWMBFGLXSA-N 2 1 310.398 -1.478 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656062743 545812946 /nfs/dbraw/zinc/81/29/46/545812946.db2.gz OYCFZNDXIFAKLH-UONOGXRCSA-N 2 1 324.425 -1.182 20 0 DAADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656062743 545812950 /nfs/dbraw/zinc/81/29/50/545812950.db2.gz OYCFZNDXIFAKLH-UONOGXRCSA-N 2 1 324.425 -1.182 20 0 DAADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656062743 545812959 /nfs/dbraw/zinc/81/29/59/545812959.db2.gz OYCFZNDXIFAKLH-UONOGXRCSA-N 2 1 324.425 -1.182 20 0 DAADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105160 545814909 /nfs/dbraw/zinc/81/49/09/545814909.db2.gz YNYMBHJXCVIYRR-RQJABVFESA-N 2 1 324.425 -1.008 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000656104235 545816638 /nfs/dbraw/zinc/81/66/38/545816638.db2.gz LEPTXIYHIHWSFE-OQMKEHIESA-N 2 1 324.425 -1.293 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C[NH2+]1 ZINC000656104001 545816654 /nfs/dbraw/zinc/81/66/54/545816654.db2.gz FMHKSBYTPLTJQD-FVCCEPFGSA-N 2 1 310.398 -1.527 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000656103969 545817028 /nfs/dbraw/zinc/81/70/28/545817028.db2.gz DOIMYUPAOATABB-RQJABVFESA-N 2 1 322.409 -1.526 20 0 DAADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104159 545817047 /nfs/dbraw/zinc/81/70/47/545817047.db2.gz IVIOZDMNUDUNEI-KWCYVHTRSA-N 2 1 324.425 -1.150 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000656104343 545817114 /nfs/dbraw/zinc/81/71/14/545817114.db2.gz OJTUYCSTDSUESN-FQUUOJAGSA-N 2 1 322.409 -1.526 20 0 DAADMP C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104647 545817136 /nfs/dbraw/zinc/81/71/36/545817136.db2.gz SYPMXRKBBNVXEV-RFQIPJPRSA-N 2 1 324.425 -1.293 20 0 DAADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104659 545817290 /nfs/dbraw/zinc/81/72/90/545817290.db2.gz TZWGTCZNVFCFFQ-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000656104648 545817309 /nfs/dbraw/zinc/81/73/09/545817309.db2.gz SYPMXRKBBNVXEV-XDQVBPFNSA-N 2 1 324.425 -1.293 20 0 DAADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104267 545817493 /nfs/dbraw/zinc/81/74/93/545817493.db2.gz MNACRJKFURLCIR-ZOBORPQBSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000656104650 545817980 /nfs/dbraw/zinc/81/79/80/545817980.db2.gz SYPMXRKBBNVXEV-ZOBORPQBSA-N 2 1 324.425 -1.293 20 0 DAADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104649 545818153 /nfs/dbraw/zinc/81/81/53/545818153.db2.gz SYPMXRKBBNVXEV-YIYPIFLZSA-N 2 1 324.425 -1.293 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000656309077 545819748 /nfs/dbraw/zinc/81/97/48/545819748.db2.gz IWTUYBYSMLBESM-KWCYVHTRSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000656309077 545819754 /nfs/dbraw/zinc/81/97/54/545819754.db2.gz IWTUYBYSMLBESM-KWCYVHTRSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000656309077 545819763 /nfs/dbraw/zinc/81/97/63/545819763.db2.gz IWTUYBYSMLBESM-KWCYVHTRSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316185 545820690 /nfs/dbraw/zinc/82/06/90/545820690.db2.gz PVHLLXRNUPPVNE-ZOBORPQBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316185 545820694 /nfs/dbraw/zinc/82/06/94/545820694.db2.gz PVHLLXRNUPPVNE-ZOBORPQBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316185 545820698 /nfs/dbraw/zinc/82/06/98/545820698.db2.gz PVHLLXRNUPPVNE-ZOBORPQBSA-N 2 1 324.425 -1.137 20 0 DAADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304065 545820976 /nfs/dbraw/zinc/82/09/76/545820976.db2.gz PRUPLRDTEAMOFJ-FPMFFAJLSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656304065 545820979 /nfs/dbraw/zinc/82/09/79/545820979.db2.gz PRUPLRDTEAMOFJ-FPMFFAJLSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656304065 545820982 /nfs/dbraw/zinc/82/09/82/545820982.db2.gz PRUPLRDTEAMOFJ-FPMFFAJLSA-N 2 1 322.409 -1.383 20 0 DAADMP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000662909071 545840099 /nfs/dbraw/zinc/84/00/99/545840099.db2.gz YCGKDLRASBJKQF-LBPRGKRZSA-N 2 1 307.402 -1.253 20 0 DAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662908131 545840698 /nfs/dbraw/zinc/84/06/98/545840698.db2.gz ZEEOJLPRUBJLEP-KBPBESRZSA-N 2 1 323.441 -1.249 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662929308 545842716 /nfs/dbraw/zinc/84/27/16/545842716.db2.gz ZYKATOLCIRXXLH-UHFFFAOYSA-N 2 1 324.425 -1.149 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337241 545893047 /nfs/dbraw/zinc/89/30/47/545893047.db2.gz HETKAVRAPPUESQ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337241 545893049 /nfs/dbraw/zinc/89/30/49/545893049.db2.gz HETKAVRAPPUESQ-RYUDHWBXSA-N 2 1 300.403 -1.158 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000861803215 663918849 /nfs/dbraw/zinc/91/88/49/663918849.db2.gz VPJQRQXYQZCGNS-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884721354 663966201 /nfs/dbraw/zinc/96/62/01/663966201.db2.gz HVBBAEDJNOJVAA-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884721354 663966206 /nfs/dbraw/zinc/96/62/06/663966206.db2.gz HVBBAEDJNOJVAA-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405897 662306882 /nfs/dbraw/zinc/30/68/82/662306882.db2.gz DVPPLPNTVWNNKI-BRRYPZQOSA-N 2 1 308.382 -1.428 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021049130 662349328 /nfs/dbraw/zinc/34/93/28/662349328.db2.gz IKFRPBYQIFAGBT-KKOKHZNYSA-N 2 1 308.382 -1.020 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021080063 662354265 /nfs/dbraw/zinc/35/42/65/662354265.db2.gz ILLPDEHMJTUTPY-FDYHWXHSSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021080063 662354268 /nfs/dbraw/zinc/35/42/68/662354268.db2.gz ILLPDEHMJTUTPY-FDYHWXHSSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928765 662382778 /nfs/dbraw/zinc/38/27/78/662382778.db2.gz SUNYQFYBNHYYAA-USZNOCQGSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928765 662382781 /nfs/dbraw/zinc/38/27/81/662382781.db2.gz SUNYQFYBNHYYAA-USZNOCQGSA-N 2 1 324.381 -1.641 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)O1 ZINC001022276605 662389743 /nfs/dbraw/zinc/38/97/43/662389743.db2.gz NTTVMICESWBFBV-NAWOPXAZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)O1 ZINC001022276605 662389744 /nfs/dbraw/zinc/38/97/44/662389744.db2.gz NTTVMICESWBFBV-NAWOPXAZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926335900 662397096 /nfs/dbraw/zinc/39/70/96/662397096.db2.gz CFTLJQCQIAFGPI-WWGRRREGSA-N 2 1 324.425 -1.006 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926335898 662397304 /nfs/dbraw/zinc/39/73/04/662397304.db2.gz CFTLJQCQIAFGPI-DVOMOZLQSA-N 2 1 324.425 -1.006 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400125 662404445 /nfs/dbraw/zinc/40/44/45/662404445.db2.gz GMWLSJWNYUCODD-ZDEQEGDKSA-N 2 1 310.398 -1.622 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400122 662404583 /nfs/dbraw/zinc/40/45/83/662404583.db2.gz GMWLSJWNYUCODD-WUHRBBMRSA-N 2 1 310.398 -1.622 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023086331 662428650 /nfs/dbraw/zinc/42/86/50/662428650.db2.gz IKFRPBYQIFAGBT-NNYUYHANSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023086333 662428690 /nfs/dbraw/zinc/42/86/90/662428690.db2.gz IKFRPBYQIFAGBT-WYUUTHIRSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023216392 662441164 /nfs/dbraw/zinc/44/11/64/662441164.db2.gz GHFWFNKOEMGEIZ-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719344 662527397 /nfs/dbraw/zinc/52/73/97/662527397.db2.gz JQZIUNJOALDXAX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719344 662527400 /nfs/dbraw/zinc/52/74/00/662527400.db2.gz JQZIUNJOALDXAX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719344 662527404 /nfs/dbraw/zinc/52/74/04/662527404.db2.gz JQZIUNJOALDXAX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719344 662527406 /nfs/dbraw/zinc/52/74/06/662527406.db2.gz JQZIUNJOALDXAX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719810 662527657 /nfs/dbraw/zinc/52/76/57/662527657.db2.gz DMCWSQJJFWTPMB-ITGHMWBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719810 662527659 /nfs/dbraw/zinc/52/76/59/662527659.db2.gz DMCWSQJJFWTPMB-ITGHMWBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719810 662527661 /nfs/dbraw/zinc/52/76/61/662527661.db2.gz DMCWSQJJFWTPMB-ITGHMWBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719810 662527662 /nfs/dbraw/zinc/52/76/62/662527662.db2.gz DMCWSQJJFWTPMB-ITGHMWBKSA-N 2 1 322.409 -1.406 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719314 662527948 /nfs/dbraw/zinc/52/79/48/662527948.db2.gz HDMNZUUKWRDAEI-FHUSYTEZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719314 662527952 /nfs/dbraw/zinc/52/79/52/662527952.db2.gz HDMNZUUKWRDAEI-FHUSYTEZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719314 662527955 /nfs/dbraw/zinc/52/79/55/662527955.db2.gz HDMNZUUKWRDAEI-FHUSYTEZSA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719314 662527959 /nfs/dbraw/zinc/52/79/59/662527959.db2.gz HDMNZUUKWRDAEI-FHUSYTEZSA-N 2 1 308.382 -1.748 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797903 662532481 /nfs/dbraw/zinc/53/24/81/662532481.db2.gz ZOAHDWQPYSGVOU-VVSAWPALSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797903 662532486 /nfs/dbraw/zinc/53/24/86/662532486.db2.gz ZOAHDWQPYSGVOU-VVSAWPALSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797903 662532490 /nfs/dbraw/zinc/53/24/90/662532490.db2.gz ZOAHDWQPYSGVOU-VVSAWPALSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797903 662532494 /nfs/dbraw/zinc/53/24/94/662532494.db2.gz ZOAHDWQPYSGVOU-VVSAWPALSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797901 662532857 /nfs/dbraw/zinc/53/28/57/662532857.db2.gz ZOAHDWQPYSGVOU-RLPMIEJPSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797901 662532861 /nfs/dbraw/zinc/53/28/61/662532861.db2.gz ZOAHDWQPYSGVOU-RLPMIEJPSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797901 662532862 /nfs/dbraw/zinc/53/28/62/662532862.db2.gz ZOAHDWQPYSGVOU-RLPMIEJPSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797901 662532865 /nfs/dbraw/zinc/53/28/65/662532865.db2.gz ZOAHDWQPYSGVOU-RLPMIEJPSA-N 2 1 322.409 -1.358 20 0 DAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000314238995 662533725 /nfs/dbraw/zinc/53/37/25/662533725.db2.gz XCKWPLHGONRSRW-UPJWGTAASA-N 2 1 319.427 -1.243 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001019772814 662535770 /nfs/dbraw/zinc/53/57/70/662535770.db2.gz SHCRPFZIAVCKRL-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP OC[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000930511930 662542816 /nfs/dbraw/zinc/54/28/16/662542816.db2.gz PTPXSPMVGUNDLZ-GRKKQISMSA-N 2 1 302.415 -1.129 20 0 DAADMP OC[C@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](O)CO)C2)C1 ZINC000930511930 662542825 /nfs/dbraw/zinc/54/28/25/662542825.db2.gz PTPXSPMVGUNDLZ-GRKKQISMSA-N 2 1 302.415 -1.129 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147884 662542866 /nfs/dbraw/zinc/54/28/66/662542866.db2.gz WPURBSJGZJHCHX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147884 662542867 /nfs/dbraw/zinc/54/28/67/662542867.db2.gz WPURBSJGZJHCHX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147884 662542868 /nfs/dbraw/zinc/54/28/68/662542868.db2.gz WPURBSJGZJHCHX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147884 662542869 /nfs/dbraw/zinc/54/28/69/662542869.db2.gz WPURBSJGZJHCHX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145823 662543199 /nfs/dbraw/zinc/54/31/99/662543199.db2.gz MGVOBBGWZXKKLF-JLDUMIBSSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145823 662543201 /nfs/dbraw/zinc/54/32/01/662543201.db2.gz MGVOBBGWZXKKLF-JLDUMIBSSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145823 662543203 /nfs/dbraw/zinc/54/32/03/662543203.db2.gz MGVOBBGWZXKKLF-JLDUMIBSSA-N 2 1 320.393 -1.210 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216716 662576626 /nfs/dbraw/zinc/57/66/26/662576626.db2.gz XEOYIFQKVBVOGY-RYUDHWBXSA-N 2 1 322.413 -1.002 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978322499 662612860 /nfs/dbraw/zinc/61/28/60/662612860.db2.gz RZBJQEAUPSMPIQ-XGFWRYKXSA-N 2 1 324.425 -1.255 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978322499 662612861 /nfs/dbraw/zinc/61/28/61/662612861.db2.gz RZBJQEAUPSMPIQ-XGFWRYKXSA-N 2 1 324.425 -1.255 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978322499 662612862 /nfs/dbraw/zinc/61/28/62/662612862.db2.gz RZBJQEAUPSMPIQ-XGFWRYKXSA-N 2 1 324.425 -1.255 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978322499 662612864 /nfs/dbraw/zinc/61/28/64/662612864.db2.gz RZBJQEAUPSMPIQ-XGFWRYKXSA-N 2 1 324.425 -1.255 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698490 662685887 /nfs/dbraw/zinc/68/58/87/662685887.db2.gz LAULFKLNNNKKHB-OPXGVBIBSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698490 662685888 /nfs/dbraw/zinc/68/58/88/662685888.db2.gz LAULFKLNNNKKHB-OPXGVBIBSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698489 662685898 /nfs/dbraw/zinc/68/58/98/662685898.db2.gz LAULFKLNNNKKHB-ISGSLZAZSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698489 662685899 /nfs/dbraw/zinc/68/58/99/662685899.db2.gz LAULFKLNNNKKHB-ISGSLZAZSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698488 662686025 /nfs/dbraw/zinc/68/60/25/662686025.db2.gz LAULFKLNNNKKHB-AJAZOQAWSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698488 662686028 /nfs/dbraw/zinc/68/60/28/662686028.db2.gz LAULFKLNNNKKHB-AJAZOQAWSA-N 2 1 322.409 -1.227 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CC1=O ZINC000924984634 662692353 /nfs/dbraw/zinc/69/23/53/662692353.db2.gz WTXYLFMMGHGWGR-AGIUHOORSA-N 2 1 312.414 -1.422 20 0 DAADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000897901327 662746335 /nfs/dbraw/zinc/74/63/35/662746335.db2.gz PVPARBXFNDEKKG-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000897901327 662746337 /nfs/dbraw/zinc/74/63/37/662746337.db2.gz PVPARBXFNDEKKG-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000990571565 662765784 /nfs/dbraw/zinc/76/57/84/662765784.db2.gz VOKAMBDSVWHKKK-QWHCGFSZSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000990571565 662765787 /nfs/dbraw/zinc/76/57/87/662765787.db2.gz VOKAMBDSVWHKKK-QWHCGFSZSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000990571563 662765962 /nfs/dbraw/zinc/76/59/62/662765962.db2.gz VOKAMBDSVWHKKK-CHWSQXEVSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000990571563 662765966 /nfs/dbraw/zinc/76/59/66/662765966.db2.gz VOKAMBDSVWHKKK-CHWSQXEVSA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000990620746 662768207 /nfs/dbraw/zinc/76/82/07/662768207.db2.gz CBHFIRBUEXGQOP-CQSZACIVSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000990620746 662768210 /nfs/dbraw/zinc/76/82/10/662768210.db2.gz CBHFIRBUEXGQOP-CQSZACIVSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632163 662768812 /nfs/dbraw/zinc/76/88/12/662768812.db2.gz RMBNLJIFKPMBJW-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632163 662768816 /nfs/dbraw/zinc/76/88/16/662768816.db2.gz RMBNLJIFKPMBJW-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990632163 662768823 /nfs/dbraw/zinc/76/88/23/662768823.db2.gz RMBNLJIFKPMBJW-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990632163 662768826 /nfs/dbraw/zinc/76/88/26/662768826.db2.gz RMBNLJIFKPMBJW-YPMHNXCESA-N 2 1 310.398 -1.404 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1CC[NH3+] ZINC000903772019 662789862 /nfs/dbraw/zinc/78/98/62/662789862.db2.gz SHIIMEKHELOGGV-YIYPIFLZSA-N 2 1 324.425 -1.293 20 0 DAADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903574097 662790315 /nfs/dbraw/zinc/79/03/15/662790315.db2.gz OEAYCYHIAZRKDX-NEPJUHHUSA-N 2 1 307.416 -1.385 20 0 DAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000904959116 662792431 /nfs/dbraw/zinc/79/24/31/662792431.db2.gz KJEZIRRACOOGSC-WFGGJUAMSA-N 2 1 324.425 -1.029 20 0 DAADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905006879 662793114 /nfs/dbraw/zinc/79/31/14/662793114.db2.gz FTAMQKODAAKDKZ-BCUIYNNISA-N 2 1 322.409 -1.396 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000905016555 662793536 /nfs/dbraw/zinc/79/35/36/662793536.db2.gz SMHKNZFFQNIGNJ-BBRMVZONSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904985403 662793629 /nfs/dbraw/zinc/79/36/29/662793629.db2.gz BCZPUDQAJGAWGA-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989697 662793851 /nfs/dbraw/zinc/79/38/51/662793851.db2.gz NJBCYYRYFIUQLN-CHWSQXEVSA-N 2 1 310.398 -1.524 20 0 DAADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904987615 662793974 /nfs/dbraw/zinc/79/39/74/662793974.db2.gz QGQMPYPZTDXBTH-XDQVBPFNSA-N 2 1 322.409 -1.383 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904985750 662794040 /nfs/dbraw/zinc/79/40/40/662794040.db2.gz CPMKYAXXTUEGEV-RWMBFGLXSA-N 2 1 312.414 -1.150 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904987255 662794085 /nfs/dbraw/zinc/79/40/85/662794085.db2.gz OBJHUUUHMVWMTK-OLZOCXBDSA-N 2 1 312.414 -1.149 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000905022392 662794547 /nfs/dbraw/zinc/79/45/47/662794547.db2.gz QSSRXIARNUYLDF-RDBSUJKOSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000911030869 663135797 /nfs/dbraw/zinc/13/57/97/663135797.db2.gz MROQHXHUZJECCX-CYBMUJFWSA-N 2 1 313.446 -1.195 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911032388 663135864 /nfs/dbraw/zinc/13/58/64/663135864.db2.gz UFBIFSXAVFARIA-WOSRLPQWSA-N 2 1 323.441 -1.312 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911071926 663136408 /nfs/dbraw/zinc/13/64/08/663136408.db2.gz DLXWJZYSAUKNCQ-NHYWBVRUSA-N 2 1 310.398 -1.349 20 0 DAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911071693 663136677 /nfs/dbraw/zinc/13/66/77/663136677.db2.gz CYEVBMKAUCAXEO-LBPRGKRZSA-N 2 1 309.414 -1.639 20 0 DAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1(C)C ZINC000911096917 663136979 /nfs/dbraw/zinc/13/69/79/663136979.db2.gz MTPRRBIKAKJIHO-UHFFFAOYSA-N 2 1 311.430 -1.264 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911147815 663137521 /nfs/dbraw/zinc/13/75/21/663137521.db2.gz JQZFDONIBOBSID-RYMFRWLXSA-N 2 1 322.409 -1.025 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911148479 663137690 /nfs/dbraw/zinc/13/76/90/663137690.db2.gz PESLKOBAYMIASG-XJFOESAGSA-N 2 1 324.425 -1.063 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911148679 663137770 /nfs/dbraw/zinc/13/77/70/663137770.db2.gz ZSIBYFUOAUOQIB-FFSVYQOJSA-N 2 1 324.425 -1.103 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911156684 663138064 /nfs/dbraw/zinc/13/80/64/663138064.db2.gz QAOUWUMZMUWBAG-GFCCVEGCSA-N 2 1 316.402 -1.872 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000911161064 663138221 /nfs/dbraw/zinc/13/82/21/663138221.db2.gz FBCTXJDMNHJGNQ-XJFOESAGSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161064 663138223 /nfs/dbraw/zinc/13/82/23/663138223.db2.gz FBCTXJDMNHJGNQ-XJFOESAGSA-N 2 1 324.425 -1.110 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC000911187354 663138383 /nfs/dbraw/zinc/13/83/83/663138383.db2.gz OGSYWQBOFLZXHH-UHFFFAOYSA-N 2 1 311.430 -1.392 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911156160 663138388 /nfs/dbraw/zinc/13/83/88/663138388.db2.gz NGARQQFAXKCAHW-LLVKDONJSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000911163531 663138604 /nfs/dbraw/zinc/13/86/04/663138604.db2.gz WHSVFRSIGGASPC-NZEXEKPDSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000911163531 663138608 /nfs/dbraw/zinc/13/86/08/663138608.db2.gz WHSVFRSIGGASPC-NZEXEKPDSA-N 2 1 310.398 -1.169 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911242253 663139303 /nfs/dbraw/zinc/13/93/03/663139303.db2.gz QHQXNPFUMHYUGT-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911247351 663140568 /nfs/dbraw/zinc/14/05/68/663140568.db2.gz PGSOUUXDZFOTRW-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911271276 663140576 /nfs/dbraw/zinc/14/05/76/663140576.db2.gz ZUDFVXYTVHYMSP-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911296698 663140994 /nfs/dbraw/zinc/14/09/94/663140994.db2.gz KEOTYLURSAEZGF-VXGBXAGGSA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911265223 663141061 /nfs/dbraw/zinc/14/10/61/663141061.db2.gz BHWNAINIRKLAHA-MCIONIFRSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911298125 663141087 /nfs/dbraw/zinc/14/10/87/663141087.db2.gz RNQCUGVHCYDTKP-JHJVBQTASA-N 2 1 312.414 -1.103 20 0 DAADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911298611 663141099 /nfs/dbraw/zinc/14/10/99/663141099.db2.gz SCFDBQCBUMLUJN-BFHYXJOUSA-N 2 1 324.425 -1.103 20 0 DAADMP CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911296690 663141103 /nfs/dbraw/zinc/14/11/03/663141103.db2.gz KEOTYLURSAEZGF-NWDGAFQWSA-N 2 1 312.414 -1.103 20 0 DAADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911298615 663141204 /nfs/dbraw/zinc/14/12/04/663141204.db2.gz SCFDBQCBUMLUJN-MELADBBJSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911327311 663141420 /nfs/dbraw/zinc/14/14/20/663141420.db2.gz UJQODLIBDZVQBK-YNEHKIRRSA-N 2 1 310.398 -1.478 20 0 DAADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911286969 663141502 /nfs/dbraw/zinc/14/15/02/663141502.db2.gz BHWNAINIRKLAHA-MJBXVCDLSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911286966 663141700 /nfs/dbraw/zinc/14/17/00/663141700.db2.gz BHWNAINIRKLAHA-BFHYXJOUSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282230 663141918 /nfs/dbraw/zinc/14/19/18/663141918.db2.gz OWBLWTUETGZHLH-MJBXVCDLSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911366822 663143481 /nfs/dbraw/zinc/14/34/81/663143481.db2.gz JRAJYDQGGDVVOP-YIYPIFLZSA-N 2 1 324.425 -1.232 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000911504832 663147488 /nfs/dbraw/zinc/14/74/88/663147488.db2.gz NOMVMRFRPRGJBH-NSHDSACASA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000911504832 663147490 /nfs/dbraw/zinc/14/74/90/663147490.db2.gz NOMVMRFRPRGJBH-NSHDSACASA-N 2 1 312.414 -1.103 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000911507338 663147900 /nfs/dbraw/zinc/14/79/00/663147900.db2.gz VNOUSLHHGXSBGJ-NEPJUHHUSA-N 2 1 310.398 -1.349 20 0 DAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000911534337 663147922 /nfs/dbraw/zinc/14/79/22/663147922.db2.gz UTOLBSFDGGGYRE-UHFFFAOYSA-N 2 1 300.403 -1.386 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000911507341 663148183 /nfs/dbraw/zinc/14/81/83/663148183.db2.gz VNOUSLHHGXSBGJ-NWDGAFQWSA-N 2 1 310.398 -1.349 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000911507344 663148418 /nfs/dbraw/zinc/14/84/18/663148418.db2.gz VNOUSLHHGXSBGJ-VXGBXAGGSA-N 2 1 310.398 -1.349 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911550090 663148702 /nfs/dbraw/zinc/14/87/02/663148702.db2.gz WMZNUGHUUZKTCL-FRRDWIJNSA-N 2 1 324.425 -1.089 20 0 DAADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911551897 663148945 /nfs/dbraw/zinc/14/89/45/663148945.db2.gz SXEKRWKKSBLSAR-RXGFPQBGSA-N 2 1 308.382 -1.727 20 0 DAADMP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCSC1 ZINC000913183361 663156427 /nfs/dbraw/zinc/15/64/27/663156427.db2.gz PKJPKZHRQZFMCQ-YPMHNXCESA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCSC1 ZINC000913183361 663156431 /nfs/dbraw/zinc/15/64/31/663156431.db2.gz PKJPKZHRQZFMCQ-YPMHNXCESA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCSC1 ZINC000913183360 663156607 /nfs/dbraw/zinc/15/66/07/663156607.db2.gz PKJPKZHRQZFMCQ-WCQYABFASA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCSC1 ZINC000913183360 663156608 /nfs/dbraw/zinc/15/66/08/663156608.db2.gz PKJPKZHRQZFMCQ-WCQYABFASA-N 2 1 303.428 -1.109 20 0 DAADMP CN1CC[N@H+](C)CC(C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196341 663156647 /nfs/dbraw/zinc/15/66/47/663156647.db2.gz MJSGCEDPYCIHCK-AWEZNQCLSA-N 2 1 300.403 -2.053 20 0 DAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196341 663156648 /nfs/dbraw/zinc/15/66/48/663156648.db2.gz MJSGCEDPYCIHCK-AWEZNQCLSA-N 2 1 300.403 -2.053 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC000913183465 663156787 /nfs/dbraw/zinc/15/67/87/663156787.db2.gz HJKCLYVSCTYIFK-AWEZNQCLSA-N 2 1 311.386 -1.475 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000991709063 663183873 /nfs/dbraw/zinc/18/38/73/663183873.db2.gz JJDBWCBLEYGQCR-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000991709063 663183877 /nfs/dbraw/zinc/18/38/77/663183877.db2.gz JJDBWCBLEYGQCR-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000992599049 663241019 /nfs/dbraw/zinc/24/10/19/663241019.db2.gz LDTZHEMFWNKURP-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000992599049 663241027 /nfs/dbraw/zinc/24/10/27/663241027.db2.gz LDTZHEMFWNKURP-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000992599049 663241033 /nfs/dbraw/zinc/24/10/33/663241033.db2.gz LDTZHEMFWNKURP-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599049 663241037 /nfs/dbraw/zinc/24/10/37/663241037.db2.gz LDTZHEMFWNKURP-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182087 663445043 /nfs/dbraw/zinc/44/50/43/663445043.db2.gz DQRQGPREKIUSLK-RYUDHWBXSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182087 663445045 /nfs/dbraw/zinc/44/50/45/663445045.db2.gz DQRQGPREKIUSLK-RYUDHWBXSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001032186852 663445762 /nfs/dbraw/zinc/44/57/62/663445762.db2.gz YGZXQSCRZNZCLZ-GFCCVEGCSA-N 2 1 323.397 -1.462 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001032186852 663445766 /nfs/dbraw/zinc/44/57/66/663445766.db2.gz YGZXQSCRZNZCLZ-GFCCVEGCSA-N 2 1 323.397 -1.462 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432881 663486799 /nfs/dbraw/zinc/48/67/99/663486799.db2.gz FVXITNYDAFDWAH-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432881 663486805 /nfs/dbraw/zinc/48/68/05/663486805.db2.gz FVXITNYDAFDWAH-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000996432881 663486809 /nfs/dbraw/zinc/48/68/09/663486809.db2.gz FVXITNYDAFDWAH-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000996432881 663486812 /nfs/dbraw/zinc/48/68/12/663486812.db2.gz FVXITNYDAFDWAH-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000996471032 663487884 /nfs/dbraw/zinc/48/78/84/663487884.db2.gz ZYMJCZZBRCHZGH-CYBMUJFWSA-N 2 1 322.409 -1.260 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000996471032 663487886 /nfs/dbraw/zinc/48/78/86/663487886.db2.gz ZYMJCZZBRCHZGH-CYBMUJFWSA-N 2 1 322.409 -1.260 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865050 663568112 /nfs/dbraw/zinc/56/81/12/663568112.db2.gz RUPGYWJDCMPATN-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865050 663568114 /nfs/dbraw/zinc/56/81/14/663568114.db2.gz RUPGYWJDCMPATN-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000999865050 663568121 /nfs/dbraw/zinc/56/81/21/663568121.db2.gz RUPGYWJDCMPATN-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000999865050 663568124 /nfs/dbraw/zinc/56/81/24/663568124.db2.gz RUPGYWJDCMPATN-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001297868 663600131 /nfs/dbraw/zinc/60/01/31/663600131.db2.gz URJPZGFVOKJBLH-KGLIPLIRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001297868 663600132 /nfs/dbraw/zinc/60/01/32/663600132.db2.gz URJPZGFVOKJBLH-KGLIPLIRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297868 663600133 /nfs/dbraw/zinc/60/01/33/663600133.db2.gz URJPZGFVOKJBLH-KGLIPLIRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297868 663600134 /nfs/dbraw/zinc/60/01/34/663600134.db2.gz URJPZGFVOKJBLH-KGLIPLIRSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001001311364 663600728 /nfs/dbraw/zinc/60/07/28/663600728.db2.gz PAVSKSWTDVTMAM-CQSZACIVSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001001311364 663600729 /nfs/dbraw/zinc/60/07/29/663600729.db2.gz PAVSKSWTDVTMAM-CQSZACIVSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977296 663611574 /nfs/dbraw/zinc/61/15/74/663611574.db2.gz MGVICGBEVGHNTO-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977296 663611575 /nfs/dbraw/zinc/61/15/75/663611575.db2.gz MGVICGBEVGHNTO-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001977296 663611576 /nfs/dbraw/zinc/61/15/76/663611576.db2.gz MGVICGBEVGHNTO-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001977296 663611578 /nfs/dbraw/zinc/61/15/78/663611578.db2.gz MGVICGBEVGHNTO-KGLIPLIRSA-N 2 1 324.425 -1.157 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112903 663622029 /nfs/dbraw/zinc/62/20/29/663622029.db2.gz UNTWWTWORCJSIN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112903 663622031 /nfs/dbraw/zinc/62/20/31/663622031.db2.gz UNTWWTWORCJSIN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)O1 ZINC000922112903 663622034 /nfs/dbraw/zinc/62/20/34/663622034.db2.gz UNTWWTWORCJSIN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112903 663622036 /nfs/dbraw/zinc/62/20/36/663622036.db2.gz UNTWWTWORCJSIN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[N@@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)CCOCCO ZINC000922110120 663622375 /nfs/dbraw/zinc/62/23/75/663622375.db2.gz WYXJZQKLVPLXDP-GXTWGEPZSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)CCOCCO ZINC000922110120 663622380 /nfs/dbraw/zinc/62/23/80/663622380.db2.gz WYXJZQKLVPLXDP-GXTWGEPZSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)CCOCCO ZINC000922110120 663622382 /nfs/dbraw/zinc/62/23/82/663622382.db2.gz WYXJZQKLVPLXDP-GXTWGEPZSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCOCCO)C1 ZINC000922119294 663622467 /nfs/dbraw/zinc/62/24/67/663622467.db2.gz NLSRLDVOQUQEQR-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCOCCO)C1 ZINC000922119294 663622468 /nfs/dbraw/zinc/62/24/68/663622468.db2.gz NLSRLDVOQUQEQR-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCOCCO)C1 ZINC000922119294 663622470 /nfs/dbraw/zinc/62/24/70/663622470.db2.gz NLSRLDVOQUQEQR-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)C1 ZINC000922119294 663622471 /nfs/dbraw/zinc/62/24/71/663622471.db2.gz NLSRLDVOQUQEQR-CYBMUJFWSA-N 2 1 303.403 -1.236 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331704 663627556 /nfs/dbraw/zinc/62/75/56/663627556.db2.gz IBBLRAIWLWZKGC-RYCVTPFZSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331704 663627559 /nfs/dbraw/zinc/62/75/59/663627559.db2.gz IBBLRAIWLWZKGC-RYCVTPFZSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331705 663627671 /nfs/dbraw/zinc/62/76/71/663627671.db2.gz IBBLRAIWLWZKGC-ULKWEWGCSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331705 663627672 /nfs/dbraw/zinc/62/76/72/663627672.db2.gz IBBLRAIWLWZKGC-ULKWEWGCSA-N 2 1 322.409 -1.085 20 0 DAADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O ZINC000923333323 663696529 /nfs/dbraw/zinc/69/65/29/663696529.db2.gz QRKJNFMIEPIQFC-GFCCVEGCSA-N 2 1 323.397 -1.223 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946928628 663699254 /nfs/dbraw/zinc/69/92/54/663699254.db2.gz UMPSLOBYIQDSLF-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000817993715 663853707 /nfs/dbraw/zinc/85/37/07/663853707.db2.gz QSWYRYWEGKJNPL-UHFFFAOYSA-N 2 1 300.403 -1.421 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000817993715 663853710 /nfs/dbraw/zinc/85/37/10/663853710.db2.gz QSWYRYWEGKJNPL-UHFFFAOYSA-N 2 1 300.403 -1.421 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1CCO ZINC000817993709 663854054 /nfs/dbraw/zinc/85/40/54/663854054.db2.gz QEVFQXNOEBUPMP-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1CCO ZINC000817993709 663854056 /nfs/dbraw/zinc/85/40/56/663854056.db2.gz QEVFQXNOEBUPMP-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164741 663877287 /nfs/dbraw/zinc/87/72/87/663877287.db2.gz NZJATXPEHKTLQH-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848637604 663892219 /nfs/dbraw/zinc/89/22/19/663892219.db2.gz RNGSABVDBVKCCB-WOSRLPQWSA-N 2 1 322.409 -1.382 20 0 DAADMP CS(=O)(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848984544 663893048 /nfs/dbraw/zinc/89/30/48/663893048.db2.gz VASAZOMXDLLYMH-UHFFFAOYSA-N 2 1 307.420 -1.628 20 0 DAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)CNC1=O ZINC000849008858 663893221 /nfs/dbraw/zinc/89/32/21/663893221.db2.gz WLOZCYLRECBOND-UHFFFAOYSA-N 2 1 312.374 -1.626 20 0 DAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCNC(=O)C1 ZINC000849017230 663893281 /nfs/dbraw/zinc/89/32/81/663893281.db2.gz NPUVQHVPPUXSNP-UHFFFAOYSA-N 2 1 312.418 -1.746 20 0 DAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852863568 663898317 /nfs/dbraw/zinc/89/83/17/663898317.db2.gz GZTRUNQMFZGJOP-MNOVXSKESA-N 2 1 311.386 -1.206 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000861748108 663917578 /nfs/dbraw/zinc/91/75/78/663917578.db2.gz FCJZEQRBXPAFPI-LBPRGKRZSA-N 2 1 313.446 -1.066 20 0 DAADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000861750775 663917840 /nfs/dbraw/zinc/91/78/40/663917840.db2.gz BZLZAWOXWDNIPO-NEPJUHHUSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000861748107 663918159 /nfs/dbraw/zinc/91/81/59/663918159.db2.gz FCJZEQRBXPAFPI-GFCCVEGCSA-N 2 1 313.446 -1.066 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000866717457 663931735 /nfs/dbraw/zinc/93/17/35/663931735.db2.gz GEZMWXVKNAFUEY-GXTWGEPZSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000866717457 663931737 /nfs/dbraw/zinc/93/17/37/663931737.db2.gz GEZMWXVKNAFUEY-GXTWGEPZSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC000868387365 663934208 /nfs/dbraw/zinc/93/42/08/663934208.db2.gz BORWFQRWJZOABY-AGIUHOORSA-N 2 1 310.398 -1.275 20 0 DAADMP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000923622201 663937347 /nfs/dbraw/zinc/93/73/47/663937347.db2.gz VAHYWANZNLUUNJ-QWHCGFSZSA-N 2 1 320.459 -1.087 20 0 DAADMP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000923622201 663937350 /nfs/dbraw/zinc/93/73/50/663937350.db2.gz VAHYWANZNLUUNJ-QWHCGFSZSA-N 2 1 320.459 -1.087 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923642669 663944664 /nfs/dbraw/zinc/94/46/64/663944664.db2.gz HKFPGMKCYBDYAE-SNVBAGLBSA-N 2 1 306.388 -2.027 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923647341 663945568 /nfs/dbraw/zinc/94/55/68/663945568.db2.gz YFBQYPNWIHEMNN-MNOVXSKESA-N 2 1 305.400 -1.095 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876749970 663946857 /nfs/dbraw/zinc/94/68/57/663946857.db2.gz SFOZLMSJAIQHBL-STQMWFEESA-N 2 1 313.446 -1.066 20 0 DAADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1 ZINC000876743289 663947543 /nfs/dbraw/zinc/94/75/43/663947543.db2.gz BBLXGONGXQYYFK-NFAWXSAZSA-N 2 1 313.398 -1.029 20 0 DAADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[NH2+]CCO1 ZINC000876743287 663947867 /nfs/dbraw/zinc/94/78/67/663947867.db2.gz BBLXGONGXQYYFK-GUTXKFCHSA-N 2 1 313.398 -1.029 20 0 DAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876886236 663948279 /nfs/dbraw/zinc/94/82/79/663948279.db2.gz SNOZRUACQIVLOX-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP COC[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000876890504 663948609 /nfs/dbraw/zinc/94/86/09/663948609.db2.gz APNHEZZGATUNHW-CQSZACIVSA-N 2 1 301.387 -1.170 20 0 DAADMP COC[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000876890504 663948610 /nfs/dbraw/zinc/94/86/10/663948610.db2.gz APNHEZZGATUNHW-CQSZACIVSA-N 2 1 301.387 -1.170 20 0 DAADMP COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000876971885 663949379 /nfs/dbraw/zinc/94/93/79/663949379.db2.gz FMESZWCBMKSWEE-HIFRSBDPSA-N 2 1 312.414 -1.503 20 0 DAADMP O=S(=O)(NCCCCC[NH+]1CCNCC1)N1CC[NH2+]CC1 ZINC000923682000 663952955 /nfs/dbraw/zinc/95/29/55/663952955.db2.gz UCRPLCRFNIYCIK-UHFFFAOYSA-N 2 1 319.475 -1.199 20 0 DAADMP CN1C(=O)[C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2C1=O ZINC000879533134 663954583 /nfs/dbraw/zinc/95/45/83/663954583.db2.gz AJPBAFXGHWGKRQ-TXEJJXNPSA-N 2 1 308.382 -1.303 20 0 DAADMP CN1C(=O)[C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2C1=O ZINC000879533134 663954589 /nfs/dbraw/zinc/95/45/89/663954589.db2.gz AJPBAFXGHWGKRQ-TXEJJXNPSA-N 2 1 308.382 -1.303 20 0 DAADMP CN1C(=O)[C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@H]2C1=O ZINC000879536584 663954824 /nfs/dbraw/zinc/95/48/24/663954824.db2.gz NSNCVKAEADILAQ-TXEJJXNPSA-N 2 1 308.382 -1.257 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884559985 663964716 /nfs/dbraw/zinc/96/47/16/663964716.db2.gz KNGKSMSRYYIUNC-MROQNXINSA-N 2 1 310.398 -1.086 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000884571206 663964823 /nfs/dbraw/zinc/96/48/23/663964823.db2.gz JTQQWNPTNQDZHM-FVCCEPFGSA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000884571206 663964825 /nfs/dbraw/zinc/96/48/25/663964825.db2.gz JTQQWNPTNQDZHM-FVCCEPFGSA-N 2 1 310.398 -1.216 20 0 DAADMP CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)[C@H]1CC[NH2+]C1 ZINC000884562914 663964966 /nfs/dbraw/zinc/96/49/66/663964966.db2.gz OHBJLNRDAKTWEU-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884642677 663965766 /nfs/dbraw/zinc/96/57/66/663965766.db2.gz OQECINMKCWNCPJ-HEHGZKQESA-N 2 1 324.425 -1.109 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CC[NH+](C)CC1 ZINC000884669618 663965921 /nfs/dbraw/zinc/96/59/21/663965921.db2.gz BBEXXUFNLOEJKP-IHRRRGAJSA-N 2 1 323.441 -1.441 20 0 DAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884677198 663966011 /nfs/dbraw/zinc/96/60/11/663966011.db2.gz KYRDAZFKPUWSIJ-UONOGXRCSA-N 2 1 323.441 -1.440 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884721651 663966223 /nfs/dbraw/zinc/96/62/23/663966223.db2.gz QEIQUCWSTVLQGR-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884721649 663966698 /nfs/dbraw/zinc/96/66/98/663966698.db2.gz QEIQUCWSTVLQGR-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926331108 663982015 /nfs/dbraw/zinc/98/20/15/663982015.db2.gz GEOSLARVQXSPCE-FVCCEPFGSA-N 2 1 312.414 -1.295 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926331108 663982019 /nfs/dbraw/zinc/98/20/19/663982019.db2.gz GEOSLARVQXSPCE-FVCCEPFGSA-N 2 1 312.414 -1.295 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000926319137 663982306 /nfs/dbraw/zinc/98/23/06/663982306.db2.gz DREDDASXOMROFQ-CZUORRHYSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000926319137 663982319 /nfs/dbraw/zinc/98/23/19/663982319.db2.gz DREDDASXOMROFQ-CZUORRHYSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000926336644 663982629 /nfs/dbraw/zinc/98/26/29/663982629.db2.gz ZBAGJSKSKKDDTK-SWLSCSKDSA-N 2 1 310.398 -1.395 20 0 DAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000926335491 663982667 /nfs/dbraw/zinc/98/26/67/663982667.db2.gz RSSHUROMIHEDLC-ZDUSSCGKSA-N 2 1 309.414 -1.686 20 0 DAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931880275 663996569 /nfs/dbraw/zinc/99/65/69/663996569.db2.gz ZEPHEPQSNACYJX-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931880275 663996573 /nfs/dbraw/zinc/99/65/73/663996573.db2.gz ZEPHEPQSNACYJX-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(Cn2cccn2)C(N)=O)CC1 ZINC000934221552 664002639 /nfs/dbraw/zinc/00/26/39/664002639.db2.gz OFBGGIAMAOYEAT-HNNXBMFYSA-N 2 1 322.413 -1.119 20 0 DAADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000953959993 664130662 /nfs/dbraw/zinc/13/06/62/664130662.db2.gz WZDDFEBFLMBTGL-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953959993 664130667 /nfs/dbraw/zinc/13/06/67/664130667.db2.gz WZDDFEBFLMBTGL-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000953959993 664130670 /nfs/dbraw/zinc/13/06/70/664130670.db2.gz WZDDFEBFLMBTGL-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000953959993 664130674 /nfs/dbraw/zinc/13/06/74/664130674.db2.gz WZDDFEBFLMBTGL-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954318798 664143006 /nfs/dbraw/zinc/14/30/06/664143006.db2.gz ZUIVZCKOQDWZFQ-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954318798 664143010 /nfs/dbraw/zinc/14/30/10/664143010.db2.gz ZUIVZCKOQDWZFQ-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000954318798 664143013 /nfs/dbraw/zinc/14/30/13/664143013.db2.gz ZUIVZCKOQDWZFQ-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000954318798 664143017 /nfs/dbraw/zinc/14/30/17/664143017.db2.gz ZUIVZCKOQDWZFQ-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214953 664248312 /nfs/dbraw/zinc/24/83/12/664248312.db2.gz PMDMZYYUZCLAAN-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214953 664248314 /nfs/dbraw/zinc/24/83/14/664248314.db2.gz PMDMZYYUZCLAAN-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591767 664281128 /nfs/dbraw/zinc/28/11/28/664281128.db2.gz IHRKIGIZVSYGMB-CHWSQXEVSA-N 2 1 324.425 -1.421 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591767 664281131 /nfs/dbraw/zinc/28/11/31/664281131.db2.gz IHRKIGIZVSYGMB-CHWSQXEVSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000959957835 664314234 /nfs/dbraw/zinc/31/42/34/664314234.db2.gz UYTJWJNUODWJOU-YABSGUDNSA-N 2 1 320.397 -1.410 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000959957835 664314238 /nfs/dbraw/zinc/31/42/38/664314238.db2.gz UYTJWJNUODWJOU-YABSGUDNSA-N 2 1 320.397 -1.410 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000968300646 664474327 /nfs/dbraw/zinc/47/43/27/664474327.db2.gz IBNBHNQGOFJSBK-OLZOCXBDSA-N 2 1 308.386 -1.201 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000968300646 664474332 /nfs/dbraw/zinc/47/43/32/664474332.db2.gz IBNBHNQGOFJSBK-OLZOCXBDSA-N 2 1 308.386 -1.201 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968909779 664488047 /nfs/dbraw/zinc/48/80/47/664488047.db2.gz RJBDWTMORJUUBQ-VXGBXAGGSA-N 2 1 308.386 -1.511 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383729 664515433 /nfs/dbraw/zinc/51/54/33/664515433.db2.gz YGBPYOHFAGKVTJ-NEPJUHHUSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383729 664515434 /nfs/dbraw/zinc/51/54/34/664515434.db2.gz YGBPYOHFAGKVTJ-NEPJUHHUSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383729 664515435 /nfs/dbraw/zinc/51/54/35/664515435.db2.gz YGBPYOHFAGKVTJ-NEPJUHHUSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383729 664515436 /nfs/dbraw/zinc/51/54/36/664515436.db2.gz YGBPYOHFAGKVTJ-NEPJUHHUSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256612 664572839 /nfs/dbraw/zinc/57/28/39/664572839.db2.gz RZFBCUKCPCSYPK-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256612 664572841 /nfs/dbraw/zinc/57/28/41/664572841.db2.gz RZFBCUKCPCSYPK-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256612 664572843 /nfs/dbraw/zinc/57/28/43/664572843.db2.gz RZFBCUKCPCSYPK-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256612 664572845 /nfs/dbraw/zinc/57/28/45/664572845.db2.gz RZFBCUKCPCSYPK-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018963591 664592399 /nfs/dbraw/zinc/59/23/99/664592399.db2.gz RJBDWTMORJUUBQ-RYUDHWBXSA-N 2 1 308.386 -1.511 20 0 DAADMP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019170084 664595648 /nfs/dbraw/zinc/59/56/48/664595648.db2.gz ZSEGJUQYJDFQEW-WVIDZAQPSA-N 2 1 308.382 -1.475 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020045473 664608066 /nfs/dbraw/zinc/60/80/66/664608066.db2.gz CAVKPYXJEMUPLY-LPWJVIDDSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020045473 664608071 /nfs/dbraw/zinc/60/80/71/664608071.db2.gz CAVKPYXJEMUPLY-LPWJVIDDSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020046014 664608341 /nfs/dbraw/zinc/60/83/41/664608341.db2.gz RJCNQLOVGRYIRV-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020046014 664608342 /nfs/dbraw/zinc/60/83/42/664608342.db2.gz RJCNQLOVGRYIRV-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045935 664608497 /nfs/dbraw/zinc/60/84/97/664608497.db2.gz PQMAVPXEDZPTMV-FDYHWXHSSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045935 664608498 /nfs/dbraw/zinc/60/84/98/664608498.db2.gz PQMAVPXEDZPTMV-FDYHWXHSSA-N 2 1 310.398 -1.216 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020045471 664608532 /nfs/dbraw/zinc/60/85/32/664608532.db2.gz CAVKPYXJEMUPLY-CYDGBPFRSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020045471 664608533 /nfs/dbraw/zinc/60/85/33/664608533.db2.gz CAVKPYXJEMUPLY-CYDGBPFRSA-N 2 1 310.398 -1.168 20 0 DAADMP O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083291041 677686663 /nfs/dbraw/zinc/68/66/63/677686663.db2.gz KZJIGYOYELCJFL-RWMBFGLXSA-N 2 1 319.365 -1.317 20 0 DAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058710857 677687132 /nfs/dbraw/zinc/68/71/32/677687132.db2.gz SCQFMZNQSXDOEZ-CYBMUJFWSA-N 2 1 314.430 -1.173 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)CC[N@@H+]1C ZINC001077023620 677779986 /nfs/dbraw/zinc/77/99/86/677779986.db2.gz KQRUGENNFILFPJ-AAVRWANBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)CC[N@H+]1C ZINC001077023620 677779990 /nfs/dbraw/zinc/77/99/90/677779990.db2.gz KQRUGENNFILFPJ-AAVRWANBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC[NH+]1C ZINC001077023620 677779992 /nfs/dbraw/zinc/77/99/92/677779992.db2.gz KQRUGENNFILFPJ-AAVRWANBSA-N 2 1 322.413 -1.220 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC[NH+]1C ZINC001077023620 677779997 /nfs/dbraw/zinc/77/99/97/677779997.db2.gz KQRUGENNFILFPJ-AAVRWANBSA-N 2 1 322.413 -1.220 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418286 677804443 /nfs/dbraw/zinc/80/44/43/677804443.db2.gz MFIXXKVQAPVAJF-UNOFRPGUSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418286 677804448 /nfs/dbraw/zinc/80/44/48/677804448.db2.gz MFIXXKVQAPVAJF-UNOFRPGUSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418286 677804450 /nfs/dbraw/zinc/80/44/50/677804450.db2.gz MFIXXKVQAPVAJF-UNOFRPGUSA-N 2 1 311.382 -1.997 20 0 DAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418286 677804454 /nfs/dbraw/zinc/80/44/54/677804454.db2.gz MFIXXKVQAPVAJF-UNOFRPGUSA-N 2 1 311.382 -1.997 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000911136711 677815598 /nfs/dbraw/zinc/81/55/98/677815598.db2.gz BTSWPRNAVHIRGS-AVGNSLFASA-N 2 1 312.414 -1.076 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000912992916 677821282 /nfs/dbraw/zinc/82/12/82/677821282.db2.gz OIPQWUVENOYSGS-HUBLWGQQSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992916 677821284 /nfs/dbraw/zinc/82/12/84/677821284.db2.gz OIPQWUVENOYSGS-HUBLWGQQSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992916 677821289 /nfs/dbraw/zinc/82/12/89/677821289.db2.gz OIPQWUVENOYSGS-HUBLWGQQSA-N 2 1 312.414 -1.103 20 0 DAADMP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCSC1 ZINC000913183358 677823035 /nfs/dbraw/zinc/82/30/35/677823035.db2.gz PKJPKZHRQZFMCQ-AAEUAGOBSA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCSC1 ZINC000913183358 677823036 /nfs/dbraw/zinc/82/30/36/677823036.db2.gz PKJPKZHRQZFMCQ-AAEUAGOBSA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174528 677916957 /nfs/dbraw/zinc/91/69/57/677916957.db2.gz OFQQMUWSVDEGGG-MGPQQGTHSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174528 677916959 /nfs/dbraw/zinc/91/69/59/677916959.db2.gz OFQQMUWSVDEGGG-MGPQQGTHSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174528 677916962 /nfs/dbraw/zinc/91/69/62/677916962.db2.gz OFQQMUWSVDEGGG-MGPQQGTHSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174528 677916967 /nfs/dbraw/zinc/91/69/67/677916967.db2.gz OFQQMUWSVDEGGG-MGPQQGTHSA-N 2 1 324.425 -1.278 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896324 678183161 /nfs/dbraw/zinc/18/31/61/678183161.db2.gz PUQRQXOXAWKZEU-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896324 678183162 /nfs/dbraw/zinc/18/31/62/678183162.db2.gz PUQRQXOXAWKZEU-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073896324 678183163 /nfs/dbraw/zinc/18/31/63/678183163.db2.gz PUQRQXOXAWKZEU-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896324 678183165 /nfs/dbraw/zinc/18/31/65/678183165.db2.gz PUQRQXOXAWKZEU-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042103137 678314957 /nfs/dbraw/zinc/31/49/57/678314957.db2.gz BRJDPKJTSCPGDS-CYBMUJFWSA-N 2 1 324.425 -1.134 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042104904 678315840 /nfs/dbraw/zinc/31/58/40/678315840.db2.gz UHBYMRAEXJHOGG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001042104904 678315844 /nfs/dbraw/zinc/31/58/44/678315844.db2.gz UHBYMRAEXJHOGG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001042104904 678315848 /nfs/dbraw/zinc/31/58/48/678315848.db2.gz UHBYMRAEXJHOGG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043114758 678365279 /nfs/dbraw/zinc/36/52/79/678365279.db2.gz ARVHYKZYVHALTG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001043114758 678365284 /nfs/dbraw/zinc/36/52/84/678365284.db2.gz ARVHYKZYVHALTG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001043114758 678365288 /nfs/dbraw/zinc/36/52/88/678365288.db2.gz ARVHYKZYVHALTG-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713517 678469922 /nfs/dbraw/zinc/46/99/22/678469922.db2.gz JCIOIZCRKQCEPS-UHFFFAOYSA-N 2 1 323.397 -1.167 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716242 678470149 /nfs/dbraw/zinc/47/01/49/678470149.db2.gz ANFWFXZSOYKRBB-UHFFFAOYSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009899 678472852 /nfs/dbraw/zinc/47/28/52/678472852.db2.gz FTROADXHNBTZAZ-KGLIPLIRSA-N 2 1 323.441 -1.216 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009899 678472855 /nfs/dbraw/zinc/47/28/55/678472855.db2.gz FTROADXHNBTZAZ-KGLIPLIRSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046009899 678472858 /nfs/dbraw/zinc/47/28/58/678472858.db2.gz FTROADXHNBTZAZ-KGLIPLIRSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046009899 678472861 /nfs/dbraw/zinc/47/28/61/678472861.db2.gz FTROADXHNBTZAZ-KGLIPLIRSA-N 2 1 323.441 -1.216 20 0 DAADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)O1 ZINC001047428595 678518789 /nfs/dbraw/zinc/51/87/89/678518789.db2.gz LXKXBVHOYFCZCG-ZOBORPQBSA-N 2 1 315.414 -1.409 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)O1 ZINC001047428595 678518798 /nfs/dbraw/zinc/51/87/98/678518798.db2.gz LXKXBVHOYFCZCG-ZOBORPQBSA-N 2 1 315.414 -1.409 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)O1 ZINC001047428595 678518800 /nfs/dbraw/zinc/51/88/00/678518800.db2.gz LXKXBVHOYFCZCG-ZOBORPQBSA-N 2 1 315.414 -1.409 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)O1 ZINC001047428595 678518803 /nfs/dbraw/zinc/51/88/03/678518803.db2.gz LXKXBVHOYFCZCG-ZOBORPQBSA-N 2 1 315.414 -1.409 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738783 678558904 /nfs/dbraw/zinc/55/89/04/678558904.db2.gz CRJMPAMYWVFHJL-XJFOESAGSA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738783 678558906 /nfs/dbraw/zinc/55/89/06/678558906.db2.gz CRJMPAMYWVFHJL-XJFOESAGSA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738783 678558912 /nfs/dbraw/zinc/55/89/12/678558912.db2.gz CRJMPAMYWVFHJL-XJFOESAGSA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738783 678558916 /nfs/dbraw/zinc/55/89/16/678558916.db2.gz CRJMPAMYWVFHJL-XJFOESAGSA-N 2 1 322.409 -1.404 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051930239 678779901 /nfs/dbraw/zinc/77/99/01/678779901.db2.gz KIDOWLSWTHLZDC-NEPJUHHUSA-N 2 1 323.401 -1.521 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930239 678779904 /nfs/dbraw/zinc/77/99/04/678779904.db2.gz KIDOWLSWTHLZDC-NEPJUHHUSA-N 2 1 323.401 -1.521 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051931920 678780156 /nfs/dbraw/zinc/78/01/56/678780156.db2.gz ITNSRWYYKWBLFT-GFCCVEGCSA-N 2 1 323.401 -1.377 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051931921 678780231 /nfs/dbraw/zinc/78/02/31/678780231.db2.gz ITNSRWYYKWBLFT-LBPRGKRZSA-N 2 1 323.401 -1.377 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070275663 678863824 /nfs/dbraw/zinc/86/38/24/678863824.db2.gz YRTSTSZGWGGZCB-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070275662 678863913 /nfs/dbraw/zinc/86/39/13/678863913.db2.gz YRTSTSZGWGGZCB-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070311284 678864673 /nfs/dbraw/zinc/86/46/73/678864673.db2.gz WBWNNEOPLPMGGP-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070311283 678864680 /nfs/dbraw/zinc/86/46/80/678864680.db2.gz WBWNNEOPLPMGGP-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001200183470 782193033 /nfs/dbraw/zinc/19/30/33/782193033.db2.gz YLPCCDVNDXQSCZ-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001200183470 782193041 /nfs/dbraw/zinc/19/30/41/782193041.db2.gz YLPCCDVNDXQSCZ-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O ZINC001273909722 782221826 /nfs/dbraw/zinc/22/18/26/782221826.db2.gz KHRRSGSBUAAVEA-AAOUONPWSA-N 2 1 318.443 -1.108 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202109838 782228912 /nfs/dbraw/zinc/22/89/12/782228912.db2.gz RJPJZDGCWSGNLB-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001202109838 782228913 /nfs/dbraw/zinc/22/89/13/782228913.db2.gz RJPJZDGCWSGNLB-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001273926980 782229090 /nfs/dbraw/zinc/22/90/90/782229090.db2.gz APRHLBCQXAZIPU-HNFMAKEJSA-N 2 1 310.398 -1.190 20 0 DAADMP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001273926980 782229093 /nfs/dbraw/zinc/22/90/93/782229093.db2.gz APRHLBCQXAZIPU-HNFMAKEJSA-N 2 1 310.398 -1.190 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCC1 ZINC001114404582 782246060 /nfs/dbraw/zinc/24/60/60/782246060.db2.gz CJFJGQCBAARIIJ-IAZYJMLFSA-N 2 1 323.397 -1.288 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCC1 ZINC001114404582 782246066 /nfs/dbraw/zinc/24/60/66/782246066.db2.gz CJFJGQCBAARIIJ-IAZYJMLFSA-N 2 1 323.397 -1.288 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114410089 782246951 /nfs/dbraw/zinc/24/69/51/782246951.db2.gz SWBMKNHYVMRLRG-RSLMWUCJSA-N 2 1 323.397 -1.432 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114410089 782246959 /nfs/dbraw/zinc/24/69/59/782246959.db2.gz SWBMKNHYVMRLRG-RSLMWUCJSA-N 2 1 323.397 -1.432 20 0 DAADMP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21)C1CCC1 ZINC001114411695 782247187 /nfs/dbraw/zinc/24/71/87/782247187.db2.gz JJDCEFWQMLIDKS-YABSGUDNSA-N 2 1 323.397 -1.288 20 0 DAADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21)C1CCC1 ZINC001114411695 782247194 /nfs/dbraw/zinc/24/71/94/782247194.db2.gz JJDCEFWQMLIDKS-YABSGUDNSA-N 2 1 323.397 -1.288 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CCC1 ZINC001114411695 782247198 /nfs/dbraw/zinc/24/71/98/782247198.db2.gz JJDCEFWQMLIDKS-YABSGUDNSA-N 2 1 323.397 -1.288 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CCC1 ZINC001114411695 782247205 /nfs/dbraw/zinc/24/72/05/782247205.db2.gz JJDCEFWQMLIDKS-YABSGUDNSA-N 2 1 323.397 -1.288 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC1(C[NH2+]CCO)CCOCC1 ZINC001274006975 782259743 /nfs/dbraw/zinc/25/97/43/782259743.db2.gz JTQIAODTAVUXSU-UHFFFAOYSA-N 2 1 315.414 -1.044 20 0 DAADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274073762 782262759 /nfs/dbraw/zinc/26/27/59/782262759.db2.gz OUMBYIZZDIWLIQ-OAHLLOKOSA-N 2 1 312.414 -1.155 20 0 DAADMP CNC(=O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274073762 782262766 /nfs/dbraw/zinc/26/27/66/782262766.db2.gz OUMBYIZZDIWLIQ-OAHLLOKOSA-N 2 1 312.414 -1.155 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001274202849 782268400 /nfs/dbraw/zinc/26/84/00/782268400.db2.gz SKDAAVDKUWTHLP-ARJAWSKDSA-N 2 1 322.369 -1.091 20 0 DAADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564626 782284331 /nfs/dbraw/zinc/28/43/31/782284331.db2.gz KHMBUUDRZVXBQB-ZFWWWQNUSA-N 2 1 315.414 -1.548 20 0 DAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275105655 782303307 /nfs/dbraw/zinc/30/33/07/782303307.db2.gz WXGIELUMUIXSLG-NWDGAFQWSA-N 2 1 313.402 -1.564 20 0 DAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275105655 782303313 /nfs/dbraw/zinc/30/33/13/782303313.db2.gz WXGIELUMUIXSLG-NWDGAFQWSA-N 2 1 313.402 -1.564 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114778505 782377111 /nfs/dbraw/zinc/37/71/11/782377111.db2.gz LXSFPWYTFBERKU-YABSGUDNSA-N 2 1 323.397 -1.464 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774662 782377239 /nfs/dbraw/zinc/37/72/39/782377239.db2.gz SBOLYXWWVPRQAQ-IWIIMEHWSA-N 2 1 311.386 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774662 782377249 /nfs/dbraw/zinc/37/72/49/782377249.db2.gz SBOLYXWWVPRQAQ-IWIIMEHWSA-N 2 1 311.386 -1.560 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831584 782379782 /nfs/dbraw/zinc/37/97/82/782379782.db2.gz CTPKKRSVJDMQOB-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831584 782379795 /nfs/dbraw/zinc/37/97/95/782379795.db2.gz CTPKKRSVJDMQOB-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831584 782379805 /nfs/dbraw/zinc/37/98/05/782379805.db2.gz CTPKKRSVJDMQOB-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831584 782379813 /nfs/dbraw/zinc/37/98/13/782379813.db2.gz CTPKKRSVJDMQOB-PUHVVEEASA-N 2 1 323.397 -1.431 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100036365 782535474 /nfs/dbraw/zinc/53/54/74/782535474.db2.gz FLKVKTYXTLUFPC-KGLIPLIRSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100036365 782535481 /nfs/dbraw/zinc/53/54/81/782535481.db2.gz FLKVKTYXTLUFPC-KGLIPLIRSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100042312 782538610 /nfs/dbraw/zinc/53/86/10/782538610.db2.gz XNZWVVYAXCOVCQ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100042312 782538618 /nfs/dbraw/zinc/53/86/18/782538618.db2.gz XNZWVVYAXCOVCQ-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109491 782555848 /nfs/dbraw/zinc/55/58/48/782555848.db2.gz GFRSSZTXPCMORQ-ZIAGYGMSSA-N 2 1 315.414 -1.358 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100131339 782560015 /nfs/dbraw/zinc/56/00/15/782560015.db2.gz BPWNZYCBMHTOEA-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100131339 782560020 /nfs/dbraw/zinc/56/00/20/782560020.db2.gz BPWNZYCBMHTOEA-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100131339 782560032 /nfs/dbraw/zinc/56/00/32/782560032.db2.gz BPWNZYCBMHTOEA-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100131339 782560037 /nfs/dbraw/zinc/56/00/37/782560037.db2.gz BPWNZYCBMHTOEA-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100402404 782573434 /nfs/dbraw/zinc/57/34/34/782573434.db2.gz XJGRBKAFVRAZNK-BPCQOVAHSA-N 2 1 322.413 -1.217 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC)C2)C1 ZINC001101006419 782588754 /nfs/dbraw/zinc/58/87/54/782588754.db2.gz JCOLUOVOHPHBHR-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC)C2)C1 ZINC001101006419 782588759 /nfs/dbraw/zinc/58/87/59/782588759.db2.gz JCOLUOVOHPHBHR-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511252 782618577 /nfs/dbraw/zinc/61/85/77/782618577.db2.gz PFGONSKUSVMQLX-VXGBXAGGSA-N 2 1 300.403 -1.266 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104033860 782629836 /nfs/dbraw/zinc/62/98/36/782629836.db2.gz JQWQCMQIAYUTQT-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104033860 782629841 /nfs/dbraw/zinc/62/98/41/782629841.db2.gz JQWQCMQIAYUTQT-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242332 782647950 /nfs/dbraw/zinc/64/79/50/782647950.db2.gz ZVUOGOOIRNSXMP-DCQANWLSSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242332 782647953 /nfs/dbraw/zinc/64/79/53/782647953.db2.gz ZVUOGOOIRNSXMP-DCQANWLSSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242332 782647955 /nfs/dbraw/zinc/64/79/55/782647955.db2.gz ZVUOGOOIRNSXMP-DCQANWLSSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242332 782647959 /nfs/dbraw/zinc/64/79/59/782647959.db2.gz ZVUOGOOIRNSXMP-DCQANWLSSA-N 2 1 323.397 -1.560 20 0 DAADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126048 782643821 /nfs/dbraw/zinc/64/38/21/782643821.db2.gz HKZSAZPRHJGZPO-JYAVWHMHSA-N 2 1 312.414 -1.253 20 0 DAADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126048 782643825 /nfs/dbraw/zinc/64/38/25/782643825.db2.gz HKZSAZPRHJGZPO-JYAVWHMHSA-N 2 1 312.414 -1.253 20 0 DAADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118325767 782713625 /nfs/dbraw/zinc/71/36/25/782713625.db2.gz JZSHYLMQZBMCPV-FVCCEPFGSA-N 2 1 310.398 -1.493 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118867322 782737477 /nfs/dbraw/zinc/73/74/77/782737477.db2.gz KFYIEHWTRLJEKF-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC001119351657 782751613 /nfs/dbraw/zinc/75/16/13/782751613.db2.gz ZFNAUARTCURYKX-NEPJUHHUSA-N 2 1 300.403 -1.076 20 0 DAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001119358224 782752893 /nfs/dbraw/zinc/75/28/93/782752893.db2.gz YDADDJIBPRXWIJ-AVGNSLFASA-N 2 1 312.414 -1.076 20 0 DAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310005 775127827 /nfs/dbraw/zinc/12/78/27/775127827.db2.gz BSOOPXFFUGCYTF-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCN(CCOCCO)C2)C1 ZINC001266310005 775127835 /nfs/dbraw/zinc/12/78/35/775127835.db2.gz BSOOPXFFUGCYTF-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP CC[C@H](C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001282954922 775164177 /nfs/dbraw/zinc/16/41/77/775164177.db2.gz GBJUUKRWQHXVOJ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001282954922 775164184 /nfs/dbraw/zinc/16/41/84/775164184.db2.gz GBJUUKRWQHXVOJ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581243 775182280 /nfs/dbraw/zinc/18/22/80/775182280.db2.gz SOQXWDDNIPYHHE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581243 775182290 /nfs/dbraw/zinc/18/22/90/775182290.db2.gz SOQXWDDNIPYHHE-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098562296 775201099 /nfs/dbraw/zinc/20/10/99/775201099.db2.gz WBZQFABZBNZUQS-UHFFFAOYSA-N 2 1 323.397 -1.038 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098562296 775201104 /nfs/dbraw/zinc/20/11/04/775201104.db2.gz WBZQFABZBNZUQS-UHFFFAOYSA-N 2 1 323.397 -1.038 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)C1 ZINC001267105908 775205329 /nfs/dbraw/zinc/20/53/29/775205329.db2.gz NXCFUFJEEURYOT-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)N(C)C)C1 ZINC001267105908 775205335 /nfs/dbraw/zinc/20/53/35/775205335.db2.gz NXCFUFJEEURYOT-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O ZINC001267212959 775215086 /nfs/dbraw/zinc/21/50/86/775215086.db2.gz WLFLYFMRCRLBKP-LLVKDONJSA-N 2 1 311.386 -1.320 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263492 775220722 /nfs/dbraw/zinc/22/07/22/775220722.db2.gz JYXCOLAIMNDTMP-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263492 775220726 /nfs/dbraw/zinc/22/07/26/775220726.db2.gz JYXCOLAIMNDTMP-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOCCO)C1 ZINC001267263492 775220733 /nfs/dbraw/zinc/22/07/33/775220733.db2.gz JYXCOLAIMNDTMP-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263492 775220742 /nfs/dbraw/zinc/22/07/42/775220742.db2.gz JYXCOLAIMNDTMP-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267455660 775240184 /nfs/dbraw/zinc/24/01/84/775240184.db2.gz ARBQDTVWGPZUPK-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267698651 775268221 /nfs/dbraw/zinc/26/82/21/775268221.db2.gz DOVHYACHEJNORL-CQSZACIVSA-N 2 1 315.414 -1.236 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267698651 775268231 /nfs/dbraw/zinc/26/82/31/775268231.db2.gz DOVHYACHEJNORL-CQSZACIVSA-N 2 1 315.414 -1.236 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105327123 775308587 /nfs/dbraw/zinc/30/85/87/775308587.db2.gz SZORKLAYHJLIRX-FZMZJTMJSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327123 775308599 /nfs/dbraw/zinc/30/85/99/775308599.db2.gz SZORKLAYHJLIRX-FZMZJTMJSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327123 775308609 /nfs/dbraw/zinc/30/86/09/775308609.db2.gz SZORKLAYHJLIRX-FZMZJTMJSA-N 2 1 322.413 -1.059 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114979617 775327720 /nfs/dbraw/zinc/32/77/20/775327720.db2.gz AKDHUAATJFZTIV-SFDCQRBFSA-N 2 1 322.409 -1.356 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114979617 775327731 /nfs/dbraw/zinc/32/77/31/775327731.db2.gz AKDHUAATJFZTIV-SFDCQRBFSA-N 2 1 322.409 -1.356 20 0 DAADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268355751 775378787 /nfs/dbraw/zinc/37/87/87/775378787.db2.gz ZSGDWRVBWZCZOD-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268355751 775378797 /nfs/dbraw/zinc/37/87/97/775378797.db2.gz ZSGDWRVBWZCZOD-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001268568553 775401164 /nfs/dbraw/zinc/40/11/64/775401164.db2.gz UMRIDFKFYFSCLK-NSCUHMNNSA-N 2 1 308.342 -1.352 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001268580660 775403028 /nfs/dbraw/zinc/40/30/28/775403028.db2.gz ZXSKUGSORUJGOO-BYCRGOAPSA-N 2 1 311.386 -1.072 20 0 DAADMP O=C(C[NH+]1CCCC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105372670 775406713 /nfs/dbraw/zinc/40/67/13/775406713.db2.gz ROGBWOUTHMUWEH-UHFFFAOYSA-N 2 1 308.386 -1.161 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)C1 ZINC001268673529 775414544 /nfs/dbraw/zinc/41/45/44/775414544.db2.gz GFIAYXMBTZRBES-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)C1 ZINC001268673529 775414549 /nfs/dbraw/zinc/41/45/49/775414549.db2.gz GFIAYXMBTZRBES-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)C1 ZINC001268673527 775414606 /nfs/dbraw/zinc/41/46/06/775414606.db2.gz GFIAYXMBTZRBES-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)C1 ZINC001268673527 775414609 /nfs/dbraw/zinc/41/46/09/775414609.db2.gz GFIAYXMBTZRBES-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268787169 775422196 /nfs/dbraw/zinc/42/21/96/775422196.db2.gz ZPGPJBBARKNFKU-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268787169 775422200 /nfs/dbraw/zinc/42/22/00/775422200.db2.gz ZPGPJBBARKNFKU-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247707 775451990 /nfs/dbraw/zinc/45/19/90/775451990.db2.gz JGNCJZUVWSIPIU-CYBMUJFWSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100981036 775645433 /nfs/dbraw/zinc/64/54/33/775645433.db2.gz RVNFXEPHJYNCET-HSOILSAZSA-N 2 1 311.386 -1.383 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974315 775719580 /nfs/dbraw/zinc/71/95/80/775719580.db2.gz ULQAYVYZQUEWCL-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974315 775719584 /nfs/dbraw/zinc/71/95/84/775719584.db2.gz ULQAYVYZQUEWCL-UPJWGTAASA-N 2 1 312.414 -1.253 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416885 775734204 /nfs/dbraw/zinc/73/42/04/775734204.db2.gz GRHYGLCEINHLKF-UHFFFAOYSA-N 2 1 315.374 -2.001 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCOCCO ZINC001168416939 775734315 /nfs/dbraw/zinc/73/43/15/775734315.db2.gz IUIWCNRTOSZMIW-UHFFFAOYSA-N 2 1 303.403 -1.187 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254192 775762942 /nfs/dbraw/zinc/76/29/42/775762942.db2.gz CZMFZHJMTJNNLU-QWRGUYRKSA-N 2 1 311.386 -1.239 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272566624 775778328 /nfs/dbraw/zinc/77/83/28/775778328.db2.gz ABYATGTXKIVOBD-QWRGUYRKSA-N 2 1 314.386 -1.800 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643848 775817777 /nfs/dbraw/zinc/81/77/77/775817777.db2.gz NVYOZIHRMQXUOY-GMTAPVOTSA-N 2 1 313.402 -1.124 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001127638501 775818923 /nfs/dbraw/zinc/81/89/23/775818923.db2.gz KUOBNHFADHCAFN-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001127690681 775825746 /nfs/dbraw/zinc/82/57/46/775825746.db2.gz PSIDZJXSJKBGAQ-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879330 775831780 /nfs/dbraw/zinc/83/17/80/775831780.db2.gz RPGSCZDDWGFMRX-OLZOCXBDSA-N 2 1 303.403 -1.190 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879329 775831951 /nfs/dbraw/zinc/83/19/51/775831951.db2.gz RPGSCZDDWGFMRX-CHWSQXEVSA-N 2 1 303.403 -1.190 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124879394 775832113 /nfs/dbraw/zinc/83/21/13/775832113.db2.gz SQSFVPHQSBTSJJ-LLVKDONJSA-N 2 1 311.386 -1.272 20 0 DAADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221362 775841466 /nfs/dbraw/zinc/84/14/66/775841466.db2.gz PJTNHMREXDDOPG-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221362 775841472 /nfs/dbraw/zinc/84/14/72/775841472.db2.gz PJTNHMREXDDOPG-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220191 775841939 /nfs/dbraw/zinc/84/19/39/775841939.db2.gz DUBUJECEXKRPML-STQMWFEESA-N 2 1 319.402 -1.953 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220191 775841944 /nfs/dbraw/zinc/84/19/44/775841944.db2.gz DUBUJECEXKRPML-STQMWFEESA-N 2 1 319.402 -1.953 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220188 775842042 /nfs/dbraw/zinc/84/20/42/775842042.db2.gz DUBUJECEXKRPML-CHWSQXEVSA-N 2 1 319.402 -1.953 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220188 775842047 /nfs/dbraw/zinc/84/20/47/775842047.db2.gz DUBUJECEXKRPML-CHWSQXEVSA-N 2 1 319.402 -1.953 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001125220454 775842722 /nfs/dbraw/zinc/84/27/22/775842722.db2.gz HSSJDFNKRMXGPM-VXGBXAGGSA-N 2 1 319.427 -1.543 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001125220454 775842730 /nfs/dbraw/zinc/84/27/30/775842730.db2.gz HSSJDFNKRMXGPM-VXGBXAGGSA-N 2 1 319.427 -1.543 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220922 775842817 /nfs/dbraw/zinc/84/28/17/775842817.db2.gz MWPBFDSREAYQSQ-GFCCVEGCSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220922 775842827 /nfs/dbraw/zinc/84/28/27/775842827.db2.gz MWPBFDSREAYQSQ-GFCCVEGCSA-N 2 1 300.403 -1.110 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779912 775863090 /nfs/dbraw/zinc/86/30/90/775863090.db2.gz SRHOTISEDNXAMC-STQMWFEESA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779912 775863099 /nfs/dbraw/zinc/86/30/99/775863099.db2.gz SRHOTISEDNXAMC-STQMWFEESA-N 2 1 308.386 -1.116 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071835 776051821 /nfs/dbraw/zinc/05/18/21/776051821.db2.gz NJRKZQRALDZIPH-UPJWGTAASA-N 2 1 310.402 -1.048 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959285 776145474 /nfs/dbraw/zinc/14/54/74/776145474.db2.gz OYABGYWXGFZZGU-OLZOCXBDSA-N 2 1 320.397 -1.465 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959285 776145481 /nfs/dbraw/zinc/14/54/81/776145481.db2.gz OYABGYWXGFZZGU-OLZOCXBDSA-N 2 1 320.397 -1.465 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099986934 776216912 /nfs/dbraw/zinc/21/69/12/776216912.db2.gz RJDCZCVEDHXLNE-QWHCGFSZSA-N 2 1 310.402 -1.219 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086052461 776237397 /nfs/dbraw/zinc/23/73/97/776237397.db2.gz LAOSETBQHJSXAT-XQHKEYJVSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086052461 776237399 /nfs/dbraw/zinc/23/73/99/776237399.db2.gz LAOSETBQHJSXAT-XQHKEYJVSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373277 776258906 /nfs/dbraw/zinc/25/89/06/776258906.db2.gz RNWMVADBWKKROY-LPWJVIDDSA-N 2 1 310.398 -1.181 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100084146 776261916 /nfs/dbraw/zinc/26/19/16/776261916.db2.gz XWVSMLBIFUTYCQ-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100084146 776261920 /nfs/dbraw/zinc/26/19/20/776261920.db2.gz XWVSMLBIFUTYCQ-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100084146 776261922 /nfs/dbraw/zinc/26/19/22/776261922.db2.gz XWVSMLBIFUTYCQ-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569744 776304971 /nfs/dbraw/zinc/30/49/71/776304971.db2.gz OTPCGYJXWSAGCV-NEPJUHHUSA-N 2 1 312.414 -1.280 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129385482 776329073 /nfs/dbraw/zinc/32/90/73/776329073.db2.gz FOLUJXJIPSBTSW-STQMWFEESA-N 2 1 322.413 -1.202 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129384952 776329330 /nfs/dbraw/zinc/32/93/30/776329330.db2.gz BHDGUJQZCAYYHM-GFCCVEGCSA-N 2 1 310.402 -1.345 20 0 DAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001129385476 776329921 /nfs/dbraw/zinc/32/99/21/776329921.db2.gz FHXUJUDNULDPHR-VXGBXAGGSA-N 2 1 310.402 -1.217 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387317 776334551 /nfs/dbraw/zinc/33/45/51/776334551.db2.gz UEZYMYAOUGMCTC-ZDUSSCGKSA-N 2 1 320.401 -1.152 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCN1CC[NH+](C)CC1 ZINC001157323315 776379933 /nfs/dbraw/zinc/37/99/33/776379933.db2.gz OPDVLIHDFYPZMA-ZDUSSCGKSA-N 2 1 313.446 -1.016 20 0 DAADMP COC[C@@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545590 776412210 /nfs/dbraw/zinc/41/22/10/776412210.db2.gz WVONLGMJZHVDBG-ZDUSSCGKSA-N 2 1 303.403 -1.284 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041104 776444817 /nfs/dbraw/zinc/44/48/17/776444817.db2.gz GPZKSKYRRTVVCT-XZUYRWCXSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041104 776444818 /nfs/dbraw/zinc/44/48/18/776444818.db2.gz GPZKSKYRRTVVCT-XZUYRWCXSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114041104 776444822 /nfs/dbraw/zinc/44/48/22/776444822.db2.gz GPZKSKYRRTVVCT-XZUYRWCXSA-N 2 1 323.397 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041104 776444826 /nfs/dbraw/zinc/44/48/26/776444826.db2.gz GPZKSKYRRTVVCT-XZUYRWCXSA-N 2 1 323.397 -1.417 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129406930 776469639 /nfs/dbraw/zinc/46/96/39/776469639.db2.gz CCWBMTHOIMNAGN-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129406930 776469640 /nfs/dbraw/zinc/46/96/40/776469640.db2.gz CCWBMTHOIMNAGN-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129406930 776469643 /nfs/dbraw/zinc/46/96/43/776469643.db2.gz CCWBMTHOIMNAGN-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129406930 776469647 /nfs/dbraw/zinc/46/96/47/776469647.db2.gz CCWBMTHOIMNAGN-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130107223 776494008 /nfs/dbraw/zinc/49/40/08/776494008.db2.gz JYDWKMHBIPYOEC-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180377 776495905 /nfs/dbraw/zinc/49/59/05/776495905.db2.gz PECMDBBZKJCLPG-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180377 776495910 /nfs/dbraw/zinc/49/59/10/776495910.db2.gz PECMDBBZKJCLPG-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180784 776496019 /nfs/dbraw/zinc/49/60/19/776496019.db2.gz YRKBHZWDEXSELM-VXGBXAGGSA-N 2 1 300.403 -1.064 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180784 776496023 /nfs/dbraw/zinc/49/60/23/776496023.db2.gz YRKBHZWDEXSELM-VXGBXAGGSA-N 2 1 300.403 -1.064 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001130418969 776509919 /nfs/dbraw/zinc/50/99/19/776509919.db2.gz DXDFIKIKWLPBTN-UHFFFAOYSA-N 2 1 301.391 -1.122 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082809 776532064 /nfs/dbraw/zinc/53/20/64/776532064.db2.gz SCOTTXQSGGNZDW-UHFFFAOYSA-N 2 1 306.370 -1.024 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380578 776568046 /nfs/dbraw/zinc/56/80/46/776568046.db2.gz RPBXAERMTISEBD-CYBMUJFWSA-N 2 1 314.386 -1.079 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001131380687 776568942 /nfs/dbraw/zinc/56/89/42/776568942.db2.gz WMYOJAPMSILNAF-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387173 776569387 /nfs/dbraw/zinc/56/93/87/776569387.db2.gz DQRIEZFWGNYAAG-UHFFFAOYSA-N 2 1 317.415 -1.163 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131519290 776571656 /nfs/dbraw/zinc/57/16/56/776571656.db2.gz CNGDMXUSKMEGMS-GLWUULTISA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519290 776571660 /nfs/dbraw/zinc/57/16/60/776571660.db2.gz CNGDMXUSKMEGMS-GLWUULTISA-N 2 1 320.397 -1.116 20 0 DAADMP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519279 776571994 /nfs/dbraw/zinc/57/19/94/776571994.db2.gz CJYFPSKBUGUPGY-HFXYEQLZSA-N 2 1 308.382 -1.556 20 0 DAADMP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519282 776572214 /nfs/dbraw/zinc/57/22/14/776572214.db2.gz CJYFPSKBUGUPGY-XWAURUHHSA-N 2 1 308.382 -1.556 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519428 776573398 /nfs/dbraw/zinc/57/33/98/776573398.db2.gz FETZJAHCEVZWRQ-ICRTXTNUSA-N 2 1 313.398 -1.437 20 0 DAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131521530 776573561 /nfs/dbraw/zinc/57/35/61/776573561.db2.gz ANKWMBQVYXAHCI-BTJONVMOSA-N 2 1 322.409 -1.214 20 0 DAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131521571 776573587 /nfs/dbraw/zinc/57/35/87/776573587.db2.gz BUWYRGCNWNCJMQ-HFXYEQLZSA-N 2 1 310.398 -1.181 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520265 776573610 /nfs/dbraw/zinc/57/36/10/776573610.db2.gz WIXOICMMMNJTLG-QRJNDHJOSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520265 776573619 /nfs/dbraw/zinc/57/36/19/776573619.db2.gz WIXOICMMMNJTLG-QRJNDHJOSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519434 776573898 /nfs/dbraw/zinc/57/38/98/776573898.db2.gz FGIFFMCRHSQCHG-AVERBVTBSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519434 776573906 /nfs/dbraw/zinc/57/39/06/776573906.db2.gz FGIFFMCRHSQCHG-AVERBVTBSA-N 2 1 320.397 -1.116 20 0 DAADMP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520236 776574085 /nfs/dbraw/zinc/57/40/85/776574085.db2.gz VQKGBMKFQKATSA-BTJONVMOSA-N 2 1 322.409 -1.166 20 0 DAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131521573 776574173 /nfs/dbraw/zinc/57/41/73/776574173.db2.gz BUWYRGCNWNCJMQ-WVIDZAQPSA-N 2 1 310.398 -1.181 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519603 776574240 /nfs/dbraw/zinc/57/42/40/776574240.db2.gz HHOHFZYNIWUGOM-MQYJIDSJSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519603 776574247 /nfs/dbraw/zinc/57/42/47/776574247.db2.gz HHOHFZYNIWUGOM-MQYJIDSJSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519602 776575099 /nfs/dbraw/zinc/57/50/99/776575099.db2.gz HHOHFZYNIWUGOM-AVERBVTBSA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519602 776575104 /nfs/dbraw/zinc/57/51/04/776575104.db2.gz HHOHFZYNIWUGOM-AVERBVTBSA-N 2 1 320.397 -1.116 20 0 DAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848843 776643086 /nfs/dbraw/zinc/64/30/86/776643086.db2.gz TZGMJWQMDHWAGJ-OLZOCXBDSA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001132848990 776643328 /nfs/dbraw/zinc/64/33/28/776643328.db2.gz YCULTBPHHDMJOH-CYBMUJFWSA-N 2 1 303.403 -1.190 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132858608 776643570 /nfs/dbraw/zinc/64/35/70/776643570.db2.gz BMEZAUHFIXYZQA-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132848369 776643704 /nfs/dbraw/zinc/64/37/04/776643704.db2.gz GPTBYVHYICJRSR-LBPRGKRZSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133845340 776678593 /nfs/dbraw/zinc/67/85/93/776678593.db2.gz BWMWCJQUESDZRA-LLVKDONJSA-N 2 1 311.386 -1.414 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845328 776679349 /nfs/dbraw/zinc/67/93/49/776679349.db2.gz BGZOYCYASWBIKO-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133863511 776680283 /nfs/dbraw/zinc/68/02/83/776680283.db2.gz MXQYEVXIZWYRSV-QWRGUYRKSA-N 2 1 311.386 -1.558 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001133845683 776681147 /nfs/dbraw/zinc/68/11/47/776681147.db2.gz LPFMIFZLRWOFEF-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863782 776681354 /nfs/dbraw/zinc/68/13/54/776681354.db2.gz PFCZPEYRELPTDW-RYUDHWBXSA-N 2 1 320.459 -1.171 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350118 776751530 /nfs/dbraw/zinc/75/15/30/776751530.db2.gz MLKJGBODNUZBRL-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP O=S(=O)(CC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246098261 776786387 /nfs/dbraw/zinc/78/63/87/776786387.db2.gz AJSSAKSCTYJUJQ-GFCCVEGCSA-N 3 1 318.443 -1.668 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001120420642 779520417 /nfs/dbraw/zinc/52/04/17/779520417.db2.gz MVWOZBRVBFNRSY-CYDGBPFRSA-N 2 1 310.398 -1.181 20 0 DAADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)CN1CC[NH+](C)CC1 ZINC001120524346 779524623 /nfs/dbraw/zinc/52/46/23/779524623.db2.gz JBTDZIRKLBSKBQ-LBPRGKRZSA-N 2 1 311.430 -1.406 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001124872432 779603998 /nfs/dbraw/zinc/60/39/98/779603998.db2.gz FWLJNJBWYSIDLC-NSHDSACASA-N 2 1 311.386 -1.225 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001124867163 779604803 /nfs/dbraw/zinc/60/48/03/779604803.db2.gz STVTUHLWQRLTIX-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213190 779608439 /nfs/dbraw/zinc/60/84/39/779608439.db2.gz CITCQSAVLXXMQL-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213190 779608441 /nfs/dbraw/zinc/60/84/41/779608441.db2.gz CITCQSAVLXXMQL-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001125209861 779608452 /nfs/dbraw/zinc/60/84/52/779608452.db2.gz ZNLHLFAQQUWXDE-STQMWFEESA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001125209861 779608455 /nfs/dbraw/zinc/60/84/55/779608455.db2.gz ZNLHLFAQQUWXDE-STQMWFEESA-N 2 1 311.386 -1.720 20 0 DAADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220304 779609304 /nfs/dbraw/zinc/60/93/04/779609304.db2.gz GLLHTQGKSROUJP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220304 779609306 /nfs/dbraw/zinc/60/93/06/779609306.db2.gz GLLHTQGKSROUJP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151048379 779669700 /nfs/dbraw/zinc/66/97/00/779669700.db2.gz AOUNTRQPXPVXDV-SNVBAGLBSA-N 2 1 311.386 -1.368 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151049641 779669895 /nfs/dbraw/zinc/66/98/95/779669895.db2.gz VDVHZAKEIOVOBG-LBPRGKRZSA-N 2 1 318.443 -1.321 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151123019 779671624 /nfs/dbraw/zinc/67/16/24/779671624.db2.gz ZCYISRANFXPDRG-UHFFFAOYSA-N 2 1 308.342 -1.551 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001151748685 779683997 /nfs/dbraw/zinc/68/39/97/779683997.db2.gz HRMPVNHOSTVSMA-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001151748685 779683999 /nfs/dbraw/zinc/68/39/99/779683999.db2.gz HRMPVNHOSTVSMA-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151738958 779684095 /nfs/dbraw/zinc/68/40/95/779684095.db2.gz JBVHPTGAYFYWMX-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151738958 779684099 /nfs/dbraw/zinc/68/40/99/779684099.db2.gz JBVHPTGAYFYWMX-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151739762 779684321 /nfs/dbraw/zinc/68/43/21/779684321.db2.gz NEYYVVMDTRGSQH-GHMZBOCLSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151739762 779684325 /nfs/dbraw/zinc/68/43/25/779684325.db2.gz NEYYVVMDTRGSQH-GHMZBOCLSA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001156144904 779740158 /nfs/dbraw/zinc/74/01/58/779740158.db2.gz GYZCEIPWKCFCCE-QWRGUYRKSA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001156144904 779740165 /nfs/dbraw/zinc/74/01/65/779740165.db2.gz GYZCEIPWKCFCCE-QWRGUYRKSA-N 2 1 312.370 -1.782 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1c2c(nn1C)C[NH2+]C2 ZINC001157356382 779751915 /nfs/dbraw/zinc/75/19/15/779751915.db2.gz IWHFSJKGRJJHKE-JTQLQIEISA-N 2 1 308.386 -1.003 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001157323692 779752445 /nfs/dbraw/zinc/75/24/45/779752445.db2.gz VPZHLHLNHALSER-RYUDHWBXSA-N 2 1 308.386 -1.113 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cnn2c1C[NH2+]CC2 ZINC001157354659 779752498 /nfs/dbraw/zinc/75/24/98/779752498.db2.gz IRYJHXXQTCRGQS-NSHDSACASA-N 2 1 308.386 -1.040 20 0 DAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380141 779753298 /nfs/dbraw/zinc/75/32/98/779753298.db2.gz WYRQNLCGLATLRW-AGIUHOORSA-N 2 1 311.430 -1.088 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102586 779766861 /nfs/dbraw/zinc/76/68/61/779766861.db2.gz UJNZOZLGQRKQJI-WFASDCNBSA-N 3 1 324.429 -2.573 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158102721 779767086 /nfs/dbraw/zinc/76/70/86/779767086.db2.gz WDGRSBJQQHFMGK-BLLLJJGKSA-N 2 1 323.441 -1.251 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102579 779767098 /nfs/dbraw/zinc/76/70/98/779767098.db2.gz UJNZOZLGQRKQJI-DOMZBBRYSA-N 3 1 324.429 -2.573 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110396 779767139 /nfs/dbraw/zinc/76/71/39/779767139.db2.gz GZCSECASWAVTCP-MRXNPFEDSA-N 3 1 321.425 -1.734 20 0 DAADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158112508 779768097 /nfs/dbraw/zinc/76/80/97/779768097.db2.gz YYRVAZSOBJUXHR-BBRMVZONSA-N 2 1 317.393 -1.051 20 0 DAADMP Cn1nc2c(c1C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158111639 779768297 /nfs/dbraw/zinc/76/82/97/779768297.db2.gz PLXORIAACFQUHS-CQSZACIVSA-N 2 1 304.354 -1.673 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111758 779768341 /nfs/dbraw/zinc/76/83/41/779768341.db2.gz RLFGKONVXLLKSE-ZDUSSCGKSA-N 2 1 305.342 -2.315 20 0 DAADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158112510 779768423 /nfs/dbraw/zinc/76/84/23/779768423.db2.gz YYRVAZSOBJUXHR-CZUORRHYSA-N 2 1 317.393 -1.051 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111499 779768594 /nfs/dbraw/zinc/76/85/94/779768594.db2.gz ONUQVUBQIWAHHH-NHYWBVRUSA-N 2 1 318.381 -1.782 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111754 779768773 /nfs/dbraw/zinc/76/87/73/779768773.db2.gz RLFGKONVXLLKSE-CYBMUJFWSA-N 2 1 305.342 -2.315 20 0 DAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486820 779776297 /nfs/dbraw/zinc/77/62/97/779776297.db2.gz SAQXHNPGSZZPJP-NWDGAFQWSA-N 2 1 323.401 -1.331 20 0 DAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486822 779777077 /nfs/dbraw/zinc/77/70/77/779777077.db2.gz SAQXHNPGSZZPJP-VXGBXAGGSA-N 2 1 323.401 -1.331 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CNCC[NH3+])CC2 ZINC001158890550 779781519 /nfs/dbraw/zinc/78/15/19/779781519.db2.gz HDSAWIMSCPMEQQ-UHFFFAOYSA-N 2 1 311.430 -1.262 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001158890145 779782058 /nfs/dbraw/zinc/78/20/58/779782058.db2.gz AOSXSRBTXIFENA-ZDUSSCGKSA-N 2 1 323.441 -1.249 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C[C@@H](O)C[NH3+])CC2 ZINC001158890698 779782204 /nfs/dbraw/zinc/78/22/04/779782204.db2.gz KNCDAQWDWVNBCR-GFCCVEGCSA-N 2 1 312.414 -1.101 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001158890740 779782224 /nfs/dbraw/zinc/78/22/24/779782224.db2.gz LRQGIIFMXPJGAJ-STQMWFEESA-N 2 1 323.441 -1.264 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C[C@H](O)C[NH3+])CC2 ZINC001158890699 779782332 /nfs/dbraw/zinc/78/23/32/779782332.db2.gz KNCDAQWDWVNBCR-LBPRGKRZSA-N 2 1 312.414 -1.101 20 0 DAADMP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001159235675 779790637 /nfs/dbraw/zinc/79/06/37/779790637.db2.gz BVPRXVLGHMCQJW-RWMBFGLXSA-N 2 1 320.397 -1.088 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159492295 779793871 /nfs/dbraw/zinc/79/38/71/779793871.db2.gz GULNZJYQHVMMFN-JTQLQIEISA-N 2 1 322.369 -1.600 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159768995 779796356 /nfs/dbraw/zinc/79/63/56/779796356.db2.gz FNBCXAJFHFVUJA-LOWDOPEQSA-N 2 1 310.398 -1.053 20 0 DAADMP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160495908 779809603 /nfs/dbraw/zinc/80/96/03/779809603.db2.gz ZXMGOPYDRITOTE-OOZYFLPDSA-N 2 1 305.356 -1.721 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001160643944 779814499 /nfs/dbraw/zinc/81/44/99/779814499.db2.gz QPSHBJLNJAYGLO-STQMWFEESA-N 3 1 312.414 -1.375 20 0 DAADMP CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001160643944 779814504 /nfs/dbraw/zinc/81/45/04/779814504.db2.gz QPSHBJLNJAYGLO-STQMWFEESA-N 2 1 312.414 -1.375 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]1C2 ZINC001160794873 779819983 /nfs/dbraw/zinc/81/99/83/779819983.db2.gz RIOIBBGXKPCHTI-CRQFQMBKSA-N 2 1 323.393 -1.168 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851000 779821111 /nfs/dbraw/zinc/82/11/11/779821111.db2.gz LPVZEVLNPHAEHH-GRYCIOLGSA-N 2 1 300.403 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851000 779821114 /nfs/dbraw/zinc/82/11/14/779821114.db2.gz LPVZEVLNPHAEHH-GRYCIOLGSA-N 2 1 300.403 -1.064 20 0 DAADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160838799 779821834 /nfs/dbraw/zinc/82/18/34/779821834.db2.gz MAFWNCOXUHGIQO-KBPBESRZSA-N 2 1 313.446 -1.474 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOCCO)O1 ZINC001160851278 779822056 /nfs/dbraw/zinc/82/20/56/779822056.db2.gz VOCITTDFULDWME-CHWSQXEVSA-N 2 1 303.403 -1.190 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOCCO)O1 ZINC001160851278 779822062 /nfs/dbraw/zinc/82/20/62/779822062.db2.gz VOCITTDFULDWME-CHWSQXEVSA-N 2 1 303.403 -1.190 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)CN3CCNCC3=O)C2)CC1 ZINC001161376549 779834310 /nfs/dbraw/zinc/83/43/10/779834310.db2.gz AOWFYNZDSXKZPC-CYBMUJFWSA-N 2 1 309.414 -1.558 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)CC1 ZINC001161380875 779835284 /nfs/dbraw/zinc/83/52/84/779835284.db2.gz WJBFFOSXUOLIMR-KGLIPLIRSA-N 3 1 323.441 -1.659 20 0 DAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377523 779835629 /nfs/dbraw/zinc/83/56/29/779835629.db2.gz GUAKPFZZUSYLRP-KBPBESRZSA-N 3 1 323.441 -1.040 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1 ZINC001161379973 779835927 /nfs/dbraw/zinc/83/59/27/779835927.db2.gz SKAFVKCWYUAKHH-ZIAGYGMSSA-N 4 1 307.442 -1.181 20 0 DAADMP [NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378906 779836191 /nfs/dbraw/zinc/83/61/91/779836191.db2.gz NXZBSTCEINAXSB-AORQRIRUSA-N 3 1 309.414 -1.359 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380343 779836273 /nfs/dbraw/zinc/83/62/73/779836273.db2.gz USZAWJAWAZWUMS-GVXVVHGQSA-N 3 1 311.430 -1.138 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162438437 779855603 /nfs/dbraw/zinc/85/56/03/779855603.db2.gz YSYBXIJRHIFHSA-JHJVBQTASA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162445690 779858785 /nfs/dbraw/zinc/85/87/85/779858785.db2.gz GLCUXVCTPLPBPS-JHJVBQTASA-N 2 1 309.805 -1.122 20 0 DAADMP [NH3+][C@@H]1NCN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162445695 779858955 /nfs/dbraw/zinc/85/89/55/779858955.db2.gz GLCUXVCTPLPBPS-YNEHKIRRSA-N 2 1 309.805 -1.122 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162447285 779859790 /nfs/dbraw/zinc/85/97/90/779859790.db2.gz LQANDLMCQUURTA-MGPQQGTHSA-N 2 1 304.402 -2.012 20 0 DAADMP [NH3+][C@@H]1NCN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2NCN[C@H]21 ZINC001162446963 779859835 /nfs/dbraw/zinc/85/98/35/779859835.db2.gz KINSPCOUXFKUSN-YNEHKIRRSA-N 2 1 304.402 -1.560 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162447284 779860323 /nfs/dbraw/zinc/86/03/23/779860323.db2.gz LQANDLMCQUURTA-MCIONIFRSA-N 2 1 304.402 -2.012 20 0 DAADMP CN(c1cnc(N2CC[NH+](C)CC2)nc1)S(=O)(=O)CC[NH3+] ZINC001164296814 779878478 /nfs/dbraw/zinc/87/84/78/779878478.db2.gz QOWPLOKNAXOPMB-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001166677197 779891385 /nfs/dbraw/zinc/89/13/85/779891385.db2.gz GQADACGOKARAOL-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001166707249 779891636 /nfs/dbraw/zinc/89/16/36/779891636.db2.gz FBBVFOXUUCGTHM-MNOVXSKESA-N 2 1 310.402 -1.098 20 0 DAADMP NC(=O)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001166725752 779892858 /nfs/dbraw/zinc/89/28/58/779892858.db2.gz SEYKTXXIJSIGSE-LBPRGKRZSA-N 2 1 318.381 -1.610 20 0 DAADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001206739922 779911281 /nfs/dbraw/zinc/91/12/81/779911281.db2.gz WSWIRRZIESHKIH-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734171 779925253 /nfs/dbraw/zinc/92/52/53/779925253.db2.gz DQQTYKNCBKBPJO-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734171 779925256 /nfs/dbraw/zinc/92/52/56/779925256.db2.gz DQQTYKNCBKBPJO-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496524 779943128 /nfs/dbraw/zinc/94/31/28/779943128.db2.gz XHPNXSSKABKBLW-OUAUKWLOSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496524 779943132 /nfs/dbraw/zinc/94/31/32/779943132.db2.gz XHPNXSSKABKBLW-OUAUKWLOSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315608 779961810 /nfs/dbraw/zinc/96/18/10/779961810.db2.gz SUOJYYBKZQQRHK-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315608 779961814 /nfs/dbraw/zinc/96/18/14/779961814.db2.gz SUOJYYBKZQQRHK-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315883 779962077 /nfs/dbraw/zinc/96/20/77/779962077.db2.gz YBBOMNLPSKLXEZ-VXGBXAGGSA-N 2 1 300.403 -1.253 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315883 779962080 /nfs/dbraw/zinc/96/20/80/779962080.db2.gz YBBOMNLPSKLXEZ-VXGBXAGGSA-N 2 1 300.403 -1.253 20 0 DAADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719220 779982881 /nfs/dbraw/zinc/98/28/81/779982881.db2.gz SEVAYFIGQZGXRS-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730852 779983291 /nfs/dbraw/zinc/98/32/91/779983291.db2.gz ZMOOZPWIJYDBSZ-JHJVBQTASA-N 2 1 303.403 -1.239 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214386491 779994344 /nfs/dbraw/zinc/99/43/44/779994344.db2.gz IJILRBQUWDWHMA-UPJWGTAASA-N 2 1 312.414 -1.158 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214386491 779994346 /nfs/dbraw/zinc/99/43/46/779994346.db2.gz IJILRBQUWDWHMA-UPJWGTAASA-N 2 1 312.414 -1.158 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215155669 780005058 /nfs/dbraw/zinc/00/50/58/780005058.db2.gz FIQMSXDHERCYFP-MWLCHTKSSA-N 2 1 322.369 -1.177 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216750451 780015286 /nfs/dbraw/zinc/01/52/86/780015286.db2.gz ZRFPFNXHIUWBTE-GMTAPVOTSA-N 2 1 311.386 -1.431 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001216801078 780016174 /nfs/dbraw/zinc/01/61/74/780016174.db2.gz INVWODAJWOPSGP-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001216801078 780016178 /nfs/dbraw/zinc/01/61/78/780016178.db2.gz INVWODAJWOPSGP-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]CCN3)cn2)CC1 ZINC001218580560 780035289 /nfs/dbraw/zinc/03/52/89/780035289.db2.gz RSSLZAXXRGPKIN-GFCCVEGCSA-N 2 1 305.386 -1.272 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cn2)CC1 ZINC001218579644 780035455 /nfs/dbraw/zinc/03/54/55/780035455.db2.gz ISVSUNZUOUSEIF-RYUDHWBXSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)ncn2)CC1 ZINC001218572784 780036013 /nfs/dbraw/zinc/03/60/13/780036013.db2.gz NQKPEXYXMCCSMM-GWCFXTLKSA-N 2 1 306.370 -1.110 20 0 DAADMP CSc1n[nH]c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O ZINC001218639225 780037627 /nfs/dbraw/zinc/03/76/27/780037627.db2.gz ZUHIWYOFVZQPBX-LURJTMIESA-N 2 1 310.383 -1.022 20 0 DAADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676579 780131958 /nfs/dbraw/zinc/13/19/58/780131958.db2.gz PNWXHRWGWNZBHY-NEPJUHHUSA-N 2 1 318.443 -1.274 20 0 DAADMP [NH3+][C@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC001219678185 780132223 /nfs/dbraw/zinc/13/22/23/780132223.db2.gz GJCXUHBSTQGMMT-LLVKDONJSA-N 2 1 304.416 -1.535 20 0 DAADMP O=C(CN1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676503 780132244 /nfs/dbraw/zinc/13/22/44/780132244.db2.gz MSEQOOZPMMIVEV-UHFFFAOYSA-N 2 1 319.431 -2.757 20 0 DAADMP C[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC001219676260 780132347 /nfs/dbraw/zinc/13/23/47/780132347.db2.gz CZBMTBVMGQCTJU-LBPRGKRZSA-N 2 1 304.416 -1.520 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC001219676152 780132398 /nfs/dbraw/zinc/13/23/98/780132398.db2.gz AKBXDHZYTVKRNG-NSHDSACASA-N 2 1 304.416 -1.520 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001219676756 780132410 /nfs/dbraw/zinc/13/24/10/780132410.db2.gz WLYHRUONTMQBHS-AAEUAGOBSA-N 2 1 316.427 -1.663 20 0 DAADMP [NH3+]CC1CC(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678109 780132494 /nfs/dbraw/zinc/13/24/94/780132494.db2.gz CTQXKXDNRUIEDA-UHFFFAOYSA-N 2 1 304.416 -1.678 20 0 DAADMP O=C(C[C@@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678196 780132658 /nfs/dbraw/zinc/13/26/58/780132658.db2.gz GWOKOJIQUNYHOS-LLVKDONJSA-N 2 1 320.415 -2.284 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001219676431 780132796 /nfs/dbraw/zinc/13/27/96/780132796.db2.gz KCMNWMJUMXUORS-SNVBAGLBSA-N 2 1 306.388 -2.674 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219678254 780133112 /nfs/dbraw/zinc/13/31/12/780133112.db2.gz ILKCTXIIIKIRTB-QWRGUYRKSA-N 2 1 322.406 -1.715 20 0 DAADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219676713 780133172 /nfs/dbraw/zinc/13/31/72/780133172.db2.gz UMTHRMCGLXHTMA-VXGBXAGGSA-N 2 1 318.443 -1.274 20 0 DAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676581 780133187 /nfs/dbraw/zinc/13/31/87/780133187.db2.gz PNWXHRWGWNZBHY-RYUDHWBXSA-N 2 1 318.443 -1.274 20 0 DAADMP C[NH2+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H](C)O ZINC001219678690 780133809 /nfs/dbraw/zinc/13/38/09/780133809.db2.gz ZYJUOJNPOIQORD-ZJUUUORDSA-N 2 1 308.404 -2.694 20 0 DAADMP O=C(C=C1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678626 780134363 /nfs/dbraw/zinc/13/43/63/780134363.db2.gz XGKLAKZUQWHYGJ-UHFFFAOYSA-N 2 1 316.427 -1.353 20 0 DAADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678526 780134455 /nfs/dbraw/zinc/13/44/55/780134455.db2.gz RRJMKASTHPUAQN-LBPRGKRZSA-N 2 1 320.459 -1.028 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678318 780134673 /nfs/dbraw/zinc/13/46/73/780134673.db2.gz KNQXTJIIXCRTFO-NSHDSACASA-N 2 1 319.431 -2.759 20 0 DAADMP O=C(C[C@H]1CCCC[NH2+]1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678691 780134732 /nfs/dbraw/zinc/13/47/32/780134732.db2.gz ZYMUQPYJESRMBX-GFCCVEGCSA-N 2 1 318.443 -1.130 20 0 DAADMP O=C(NCc1nnc2n1CCCNC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219748811 780142449 /nfs/dbraw/zinc/14/24/49/780142449.db2.gz CVRHLXUPTNVHKA-IAQYHMDHSA-N 2 1 319.413 -1.413 20 0 DAADMP [NH3+][C@H](C(=O)NCc1nnc2n1CCCNC2)C1CC[NH2+]CC1 ZINC001219748834 780143282 /nfs/dbraw/zinc/14/32/82/780143282.db2.gz DRFVZVPLGAIFGN-ZDUSSCGKSA-N 2 1 307.402 -1.286 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219764963 780144375 /nfs/dbraw/zinc/14/43/75/780144375.db2.gz QPTDEQANKXUSNI-MDZLAQPJSA-N 2 1 307.398 -2.126 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219764963 780144380 /nfs/dbraw/zinc/14/43/80/780144380.db2.gz QPTDEQANKXUSNI-MDZLAQPJSA-N 2 1 307.398 -2.126 20 0 DAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765811 780145269 /nfs/dbraw/zinc/14/52/69/780145269.db2.gz CVKNFVGNXASKDI-AGIUHOORSA-N 2 1 309.414 -1.654 20 0 DAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765811 780145275 /nfs/dbraw/zinc/14/52/75/780145275.db2.gz CVKNFVGNXASKDI-AGIUHOORSA-N 2 1 309.414 -1.654 20 0 DAADMP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1nnn2c1C[NH2+]CC2 ZINC001219803550 780147667 /nfs/dbraw/zinc/14/76/67/780147667.db2.gz XDQNBVAXVPPXBK-SNVBAGLBSA-N 2 1 306.370 -1.120 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219805687 780149656 /nfs/dbraw/zinc/14/96/56/780149656.db2.gz BQGCXNNWRMMRQG-GHMZBOCLSA-N 2 1 307.354 -1.924 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219808117 780149834 /nfs/dbraw/zinc/14/98/34/780149834.db2.gz UNDXLQDZVZXWHJ-GWCFXTLKSA-N 2 1 307.354 -1.924 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219803923 780150440 /nfs/dbraw/zinc/15/04/40/780150440.db2.gz IDMITAFFEPGDPY-RDBSUJKOSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219803923 780150445 /nfs/dbraw/zinc/15/04/45/780150445.db2.gz IDMITAFFEPGDPY-RDBSUJKOSA-N 2 1 315.414 -1.503 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001219805974 780150560 /nfs/dbraw/zinc/15/05/60/780150560.db2.gz HAWHANCQRYFYDG-IAQYHMDHSA-N 2 1 319.365 -1.516 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814380 780151754 /nfs/dbraw/zinc/15/17/54/780151754.db2.gz BNEUUYIUGSKBAW-WHOFXGATSA-N 2 1 311.430 -1.911 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833345 780153451 /nfs/dbraw/zinc/15/34/51/780153451.db2.gz CCQDRARTRBEHJU-NJZAAPMLSA-N 2 1 323.397 -1.209 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833343 780153456 /nfs/dbraw/zinc/15/34/56/780153456.db2.gz CCQDRARTRBEHJU-KYOSRNDESA-N 2 1 323.397 -1.209 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831332 780153479 /nfs/dbraw/zinc/15/34/79/780153479.db2.gz GXSZPBMYLXIWRL-ZRJCITRHSA-N 2 1 311.430 -1.770 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833350 780153991 /nfs/dbraw/zinc/15/39/91/780153991.db2.gz CCQDRARTRBEHJU-ZLDLUXBVSA-N 2 1 323.397 -1.209 20 0 DAADMP C[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)COCC[NH2+]1 ZINC001219838206 780155396 /nfs/dbraw/zinc/15/53/96/780155396.db2.gz ORGNFNKKPNWAFO-BPLDGKMQSA-N 2 1 313.398 -1.124 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219850265 780156225 /nfs/dbraw/zinc/15/62/25/780156225.db2.gz PSAMTZMNIFHTJD-XDQVBPFNSA-N 2 1 311.430 -1.628 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219850266 780156619 /nfs/dbraw/zinc/15/66/19/780156619.db2.gz PSAMTZMNIFHTJD-ZOBORPQBSA-N 2 1 311.430 -1.628 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219854656 780157774 /nfs/dbraw/zinc/15/77/74/780157774.db2.gz OUGDKIDXEPFNGP-RQJABVFESA-N 2 1 324.425 -1.458 20 0 DAADMP CN1C[C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219854656 780157777 /nfs/dbraw/zinc/15/77/77/780157777.db2.gz OUGDKIDXEPFNGP-RQJABVFESA-N 2 1 324.425 -1.458 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001219869853 780159406 /nfs/dbraw/zinc/15/94/06/780159406.db2.gz UGTNQVVMVWIEDO-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001219869853 780159410 /nfs/dbraw/zinc/15/94/10/780159410.db2.gz UGTNQVVMVWIEDO-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP Cc1[nH+]ccn1CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219934709 780164719 /nfs/dbraw/zinc/16/47/19/780164719.db2.gz JAWFBXBDTZMTNQ-WPRPVWTQSA-N 2 1 310.358 -1.985 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945803 780166513 /nfs/dbraw/zinc/16/65/13/780166513.db2.gz TZDASZRPNBBVLQ-GHMZBOCLSA-N 2 1 302.400 -1.836 20 0 DAADMP CCn1c(N)c(NC(=O)C[NH2+]CCC[NH3+])c(=O)n(CC)c1=O ZINC001219972419 780167515 /nfs/dbraw/zinc/16/75/15/780167515.db2.gz OVOLEXLEJBUDBZ-UHFFFAOYSA-N 2 1 312.374 -1.491 20 0 DAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nn[nH]n1 ZINC001220074113 780175127 /nfs/dbraw/zinc/17/51/27/780175127.db2.gz OVNUPZPDLXFUKG-UWVGGRQHSA-N 2 1 324.389 -1.737 20 0 DAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nnc[nH]1 ZINC001220249819 780195460 /nfs/dbraw/zinc/19/54/60/780195460.db2.gz CIVGADVHCGQJOZ-QWRGUYRKSA-N 2 1 323.401 -1.132 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220273256 780197886 /nfs/dbraw/zinc/19/78/86/780197886.db2.gz FNZRJDSYIKGJDP-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220273256 780197893 /nfs/dbraw/zinc/19/78/93/780197893.db2.gz FNZRJDSYIKGJDP-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220275310 780198121 /nfs/dbraw/zinc/19/81/21/780198121.db2.gz TWLWJGVKUUODRJ-AGIUHOORSA-N 2 1 312.414 -1.280 20 0 DAADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220275310 780198125 /nfs/dbraw/zinc/19/81/25/780198125.db2.gz TWLWJGVKUUODRJ-AGIUHOORSA-N 2 1 312.414 -1.280 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220276437 780198684 /nfs/dbraw/zinc/19/86/84/780198684.db2.gz AHOUUBVLSBHIOF-XQQFMLRXSA-N 2 1 322.413 -1.122 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220276699 780199041 /nfs/dbraw/zinc/19/90/41/780199041.db2.gz IPZOPTYGYVIXGA-OLZOCXBDSA-N 2 1 312.414 -1.374 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220276699 780199043 /nfs/dbraw/zinc/19/90/43/780199043.db2.gz IPZOPTYGYVIXGA-OLZOCXBDSA-N 2 1 312.414 -1.374 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC1 ZINC001220306774 780201566 /nfs/dbraw/zinc/20/15/66/780201566.db2.gz OOKKIZBUNKICPY-YUNKPMOVSA-N 2 1 304.460 -1.164 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001220307111 780201629 /nfs/dbraw/zinc/20/16/29/780201629.db2.gz RZJFOHUBPNISQZ-LBPRGKRZSA-N 3 1 303.476 -1.241 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355032 780204221 /nfs/dbraw/zinc/20/42/21/780204221.db2.gz AVMZRVOVJCMZNV-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220355032 780204225 /nfs/dbraw/zinc/20/42/25/780204225.db2.gz AVMZRVOVJCMZNV-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355032 780204229 /nfs/dbraw/zinc/20/42/29/780204229.db2.gz AVMZRVOVJCMZNV-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220355032 780204232 /nfs/dbraw/zinc/20/42/32/780204232.db2.gz AVMZRVOVJCMZNV-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001220429214 780214132 /nfs/dbraw/zinc/21/41/32/780214132.db2.gz NMRWDCNUNUDIRH-QWHCGFSZSA-N 3 1 312.414 -1.456 20 0 DAADMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429214 780214137 /nfs/dbraw/zinc/21/41/37/780214137.db2.gz NMRWDCNUNUDIRH-QWHCGFSZSA-N 2 1 312.414 -1.456 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429214 780214147 /nfs/dbraw/zinc/21/41/47/780214147.db2.gz NMRWDCNUNUDIRH-QWHCGFSZSA-N 2 1 312.414 -1.456 20 0 DAADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553917 780226329 /nfs/dbraw/zinc/22/63/29/780226329.db2.gz XZOUTYJVFVRUJF-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553917 780226337 /nfs/dbraw/zinc/22/63/37/780226337.db2.gz XZOUTYJVFVRUJF-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553591 780226940 /nfs/dbraw/zinc/22/69/40/780226940.db2.gz MBIBJAZXZNLHCZ-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553591 780226945 /nfs/dbraw/zinc/22/69/45/780226945.db2.gz MBIBJAZXZNLHCZ-MJBXVCDLSA-N 2 1 315.414 -1.095 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571609 780228392 /nfs/dbraw/zinc/22/83/92/780228392.db2.gz VIHGSPDTYILICR-UHFFFAOYSA-N 2 1 320.415 -2.345 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220755566 780242894 /nfs/dbraw/zinc/24/28/94/780242894.db2.gz QOHRDTONVCEQLX-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220755566 780242899 /nfs/dbraw/zinc/24/28/99/780242899.db2.gz QOHRDTONVCEQLX-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220755566 780242909 /nfs/dbraw/zinc/24/29/09/780242909.db2.gz QOHRDTONVCEQLX-MCIONIFRSA-N 2 1 315.414 -1.502 20 0 DAADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764471 780244779 /nfs/dbraw/zinc/24/47/79/780244779.db2.gz MDYGCNBGKCSMIN-XQQFMLRXSA-N 2 1 303.403 -1.239 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220764667 780245491 /nfs/dbraw/zinc/24/54/91/780245491.db2.gz RSOYTSSZBMXAFS-MJBXVCDLSA-N 2 1 315.414 -1.238 20 0 DAADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768356 780245967 /nfs/dbraw/zinc/24/59/67/780245967.db2.gz IJCNBYMZHHNHPN-XQQFMLRXSA-N 2 1 303.403 -1.239 20 0 DAADMP COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220769139 780247876 /nfs/dbraw/zinc/24/78/76/780247876.db2.gz JDWKDPHUPSEBFH-CYBMUJFWSA-N 2 1 323.397 -1.038 20 0 DAADMP CCOC(=O)C1=C(NC(=O)c2nnn3c2C[NH2+]CC3)C[NH2+]C1 ZINC001220836473 780251130 /nfs/dbraw/zinc/25/11/30/780251130.db2.gz OGGNPNDBTWNDJU-UHFFFAOYSA-N 2 1 306.326 -1.469 20 0 DAADMP [NH3+][C@H]1CCCCN(CC(=O)NCCN2CC[NH2+]CC2=O)C1=O ZINC001220874411 780253912 /nfs/dbraw/zinc/25/39/12/780253912.db2.gz ITCHWNYFGXDHGY-NSHDSACASA-N 2 1 311.386 -2.126 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001220872167 780254128 /nfs/dbraw/zinc/25/41/28/780254128.db2.gz MQVREGSHSXBPCO-SWLSCSKDSA-N 2 1 310.398 -1.307 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001220871898 780254661 /nfs/dbraw/zinc/25/46/61/780254661.db2.gz BTCOCWUUKOBMMM-GFCCVEGCSA-N 2 1 310.398 -1.307 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220875258 780254769 /nfs/dbraw/zinc/25/47/69/780254769.db2.gz ZPOBMBSPUHHQKX-UONOGXRCSA-N 2 1 323.441 -1.392 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220875176 780255167 /nfs/dbraw/zinc/25/51/67/780255167.db2.gz WBUVQUPJBAVGHU-AWEZNQCLSA-N 2 1 323.441 -1.392 20 0 DAADMP [NH3+]CCN(CCNC(=O)c1cnc(C[NH3+])s1)N(O)N=O ZINC001220902872 780256267 /nfs/dbraw/zinc/25/62/67/780256267.db2.gz DILSFISLFNQPQH-UHFFFAOYSA-N 2 1 303.348 -1.120 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221193871 780283785 /nfs/dbraw/zinc/28/37/85/780283785.db2.gz HATKZYPSPGZGML-WPRPVWTQSA-N 2 1 313.402 -1.707 20 0 DAADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001221267018 780287739 /nfs/dbraw/zinc/28/77/39/780287739.db2.gz ZNKSNPUOLTVVGN-CSYMLDBXSA-N 2 1 312.418 -1.949 20 0 DAADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001221267019 780288986 /nfs/dbraw/zinc/28/89/86/780288986.db2.gz ZNKSNPUOLTVVGN-DGORSVRFSA-N 2 1 312.418 -1.949 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1 ZINC001221316911 780290536 /nfs/dbraw/zinc/29/05/36/780290536.db2.gz NVMPFKWRDCSAIT-GFCCVEGCSA-N 2 1 308.382 -1.041 20 0 DAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H](N)CO ZINC001221392027 780293061 /nfs/dbraw/zinc/29/30/61/780293061.db2.gz RGUBWHJFODCFLQ-UWVGGRQHSA-N 2 1 316.406 -2.125 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001223916443 780319101 /nfs/dbraw/zinc/31/91/01/780319101.db2.gz IQMNCZAGYYIJJZ-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001223916443 780319106 /nfs/dbraw/zinc/31/91/06/780319106.db2.gz IQMNCZAGYYIJJZ-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226721962 780335441 /nfs/dbraw/zinc/33/54/41/780335441.db2.gz BFFPEPMCDLFHMQ-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721962 780335445 /nfs/dbraw/zinc/33/54/45/780335445.db2.gz BFFPEPMCDLFHMQ-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226721969 780335951 /nfs/dbraw/zinc/33/59/51/780335951.db2.gz BFFPEPMCDLFHMQ-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721969 780335954 /nfs/dbraw/zinc/33/59/54/780335954.db2.gz BFFPEPMCDLFHMQ-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP NC(=O)NC(=O)C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230047082 780359985 /nfs/dbraw/zinc/35/99/85/780359985.db2.gz RBMOAEVNVXDWAM-UHFFFAOYSA-N 2 1 323.397 -1.142 20 0 DAADMP Cn1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001231770041 780383348 /nfs/dbraw/zinc/38/33/48/780383348.db2.gz CBOXVWAPPJQSTL-UHFFFAOYSA-N 2 1 309.414 -1.237 20 0 DAADMP [NH3+]CCS(=O)(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001238293158 780436731 /nfs/dbraw/zinc/43/67/31/780436731.db2.gz QBQLGEFWINQSSX-UHFFFAOYSA-N 2 1 301.372 -1.885 20 0 DAADMP O=C1C[NH2+]CCN1CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238801353 780439677 /nfs/dbraw/zinc/43/96/77/780439677.db2.gz RAADDGVQKVLGTH-UHFFFAOYSA-N 2 1 304.416 -1.663 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076979 780442300 /nfs/dbraw/zinc/44/23/00/780442300.db2.gz VTPXWPXPRHRGFY-UHFFFAOYSA-N 2 1 318.443 -1.049 20 0 DAADMP COC(=O)[C@@H]([NH3+])C1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001239112068 780443344 /nfs/dbraw/zinc/44/33/44/780443344.db2.gz FWGBXHGQFCBJIJ-MNOVXSKESA-N 2 1 305.400 -1.110 20 0 DAADMP COC(=O)[C@H]([NH3+])C1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001239112067 780444080 /nfs/dbraw/zinc/44/40/80/780444080.db2.gz FWGBXHGQFCBJIJ-GHMZBOCLSA-N 2 1 305.400 -1.110 20 0 DAADMP OC[C@@H]1C[NH2+]C[C@H]1NC(=S)NCCC[NH+]1CCOCC1 ZINC001239378498 780445127 /nfs/dbraw/zinc/44/51/27/780445127.db2.gz RIHWVHKVQMELQI-NWDGAFQWSA-N 2 1 302.444 -1.247 20 0 DAADMP O=S(=O)(CCNC[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001245997065 780447922 /nfs/dbraw/zinc/44/79/22/780447922.db2.gz VMSRMOAUXMFLKC-GFCCVEGCSA-N 2 1 306.432 -2.075 20 0 DAADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039478 780448138 /nfs/dbraw/zinc/44/81/38/780448138.db2.gz MWWGFWOEGWJEHI-RYUDHWBXSA-N 2 1 301.387 -1.701 20 0 DAADMP O=c1cc(C[NH2+]CC2(O)CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001245986089 780448397 /nfs/dbraw/zinc/44/83/97/780448397.db2.gz UVDMEGUIVZCUFO-UHFFFAOYSA-N 3 1 307.398 -1.059 20 0 DAADMP COC(=O)[C@@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048046 780449119 /nfs/dbraw/zinc/44/91/19/780449119.db2.gz VDOIKPAWCJVGRV-TVEHIPJCSA-N 2 1 312.366 -1.149 20 0 DAADMP COC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001246062443 780449270 /nfs/dbraw/zinc/44/92/70/780449270.db2.gz LGEKADAZXAVRHK-AVGNSLFASA-N 3 1 315.414 -1.326 20 0 DAADMP COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001246062443 780449274 /nfs/dbraw/zinc/44/92/74/780449274.db2.gz LGEKADAZXAVRHK-AVGNSLFASA-N 3 1 315.414 -1.326 20 0 DAADMP [NH3+]C1CN([C@H]2CCC[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246046896 780449379 /nfs/dbraw/zinc/44/93/79/780449379.db2.gz APCQXTNPHLTQOI-LSDHHAIUSA-N 3 1 312.458 -1.041 20 0 DAADMP COC(=O)[C@]1(N)CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056440 780449627 /nfs/dbraw/zinc/44/96/27/780449627.db2.gz VPGUEGDCPBYALS-FZMZJTMJSA-N 2 1 301.387 -1.572 20 0 DAADMP O=C([C@@H]1C[C@H](NCC2(O)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246173330 780450625 /nfs/dbraw/zinc/45/06/25/780450625.db2.gz LGXHKJUPXJTHHQ-RYUDHWBXSA-N 2 1 314.455 -1.046 20 0 DAADMP O=S(=O)(CC[NH2+]C1C[C@@H]2COC[C@H](C1)N2)N1CC[NH2+]CC1 ZINC001246103684 780450851 /nfs/dbraw/zinc/45/08/51/780450851.db2.gz WGTVHZNNIKNBCE-YHWZYXNKSA-N 2 1 318.443 -1.670 20 0 DAADMP O=c1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nc2n1CCC[NH2+]C2 ZINC001246128918 780451211 /nfs/dbraw/zinc/45/12/11/780451211.db2.gz CEIJRZIBUNCAHH-LBPRGKRZSA-N 3 1 318.425 -1.080 20 0 DAADMP O=S(=O)(CC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246102905 780451268 /nfs/dbraw/zinc/45/12/68/780451268.db2.gz UETFLQRNKVYMQV-GFCCVEGCSA-N 3 1 302.444 -1.047 20 0 DAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CN1 ZINC001246162937 780451504 /nfs/dbraw/zinc/45/15/04/780451504.db2.gz SHKWASTXNSALMT-OLZOCXBDSA-N 2 1 303.403 -1.454 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246334701 780454016 /nfs/dbraw/zinc/45/40/16/780454016.db2.gz PBWNNFRQJBSADD-VWYCJHECSA-N 2 1 316.427 -1.270 20 0 DAADMP O=C1NCC[C@]12C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246626025 780455273 /nfs/dbraw/zinc/45/52/73/780455273.db2.gz JDTABDVXZZCNLV-LRDDRELGSA-N 3 1 305.426 -1.508 20 0 DAADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246632104 780455517 /nfs/dbraw/zinc/45/55/17/780455517.db2.gz ZEVDOZOVDBTNCW-MQIPJXDCSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246632104 780455519 /nfs/dbraw/zinc/45/55/19/780455519.db2.gz ZEVDOZOVDBTNCW-MQIPJXDCSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CCN1 ZINC001246630623 780455661 /nfs/dbraw/zinc/45/56/61/780455661.db2.gz UERCMYGGMSSHOV-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CCN1 ZINC001246630623 780455664 /nfs/dbraw/zinc/45/56/64/780455664.db2.gz UERCMYGGMSSHOV-RYUDHWBXSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246588024 780455893 /nfs/dbraw/zinc/45/58/93/780455893.db2.gz XOMXDGIAYMNGRQ-NGDQXYMTSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246588024 780455896 /nfs/dbraw/zinc/45/58/96/780455896.db2.gz XOMXDGIAYMNGRQ-NGDQXYMTSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670068 780456829 /nfs/dbraw/zinc/45/68/29/780456829.db2.gz WCUQXADBOZIBAL-GZBFAFLISA-N 2 1 313.398 -1.029 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058630 780468798 /nfs/dbraw/zinc/46/87/98/780468798.db2.gz GQKCGBIZRXLHSK-HZSPNIEDSA-N 2 1 315.414 -1.550 20 0 DAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058630 780468802 /nfs/dbraw/zinc/46/88/02/780468802.db2.gz GQKCGBIZRXLHSK-HZSPNIEDSA-N 2 1 315.414 -1.550 20 0 DAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058630 780468809 /nfs/dbraw/zinc/46/88/09/780468809.db2.gz GQKCGBIZRXLHSK-HZSPNIEDSA-N 2 1 315.414 -1.550 20 0 DAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058630 780468813 /nfs/dbraw/zinc/46/88/13/780468813.db2.gz GQKCGBIZRXLHSK-HZSPNIEDSA-N 2 1 315.414 -1.550 20 0 DAADMP C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCC[N@@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001254514072 780488168 /nfs/dbraw/zinc/48/81/68/780488168.db2.gz IYPWQAOHUUSWPK-RUDNTAQLSA-N 2 1 318.414 -1.096 20 0 DAADMP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCC[NH+](CCO)CCO ZINC001256320318 780507796 /nfs/dbraw/zinc/50/77/96/780507796.db2.gz LFSGROIEMRIDIG-CQSZACIVSA-N 2 1 317.430 -1.110 20 0 DAADMP [NH3+][C@@H]1NCN(C2CCC([NH+]3CCOCC3)CC2)[C@@H]2NCN[C@@H]21 ZINC001256686785 780510699 /nfs/dbraw/zinc/51/06/99/780510699.db2.gz DHSBTRBQUAGQRZ-ODGNXRKOSA-N 2 1 310.446 -1.378 20 0 DAADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261554347 780548377 /nfs/dbraw/zinc/54/83/77/780548377.db2.gz BLWDRCUCTNRZPN-RWMBFGLXSA-N 2 1 310.398 -1.620 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC001261633194 780551379 /nfs/dbraw/zinc/55/13/79/780551379.db2.gz ZCZDIETWXBKEEX-UHFFFAOYSA-N 2 1 322.369 -1.533 20 0 DAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001262067033 780567176 /nfs/dbraw/zinc/56/71/76/780567176.db2.gz QIGJNHHILZPIJQ-LPWJVIDDSA-N 2 1 310.398 -1.181 20 0 DAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001262490596 780571601 /nfs/dbraw/zinc/57/16/01/780571601.db2.gz ZTJWBQDUMGIRGF-MELADBBJSA-N 2 1 324.425 -1.014 20 0 DAADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262545992 780573780 /nfs/dbraw/zinc/57/37/80/780573780.db2.gz MYFXMGUXWQHUEZ-KGLIPLIRSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262545991 780574263 /nfs/dbraw/zinc/57/42/63/780574263.db2.gz MYFXMGUXWQHUEZ-KBPBESRZSA-N 2 1 324.425 -1.088 20 0 DAADMP O=S1(=O)CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001262563171 780575301 /nfs/dbraw/zinc/57/53/01/780575301.db2.gz XBXLRBYXDHCWIW-CYBMUJFWSA-N 2 1 305.444 -1.237 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000386978565 780583445 /nfs/dbraw/zinc/58/34/45/780583445.db2.gz SBBPMVSVUJTYIC-HUUCEWRRSA-N 2 1 300.447 -1.095 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973594 780587869 /nfs/dbraw/zinc/58/78/69/780587869.db2.gz CPOGXEVMFSOHGX-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973594 780587872 /nfs/dbraw/zinc/58/78/72/780587872.db2.gz CPOGXEVMFSOHGX-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973594 780587876 /nfs/dbraw/zinc/58/78/76/780587876.db2.gz CPOGXEVMFSOHGX-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973594 780587882 /nfs/dbraw/zinc/58/78/82/780587882.db2.gz CPOGXEVMFSOHGX-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265531255 780603289 /nfs/dbraw/zinc/60/32/89/780603289.db2.gz DQFKDYVUQAVGKQ-TUAOUCFPSA-N 2 1 318.443 -1.133 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687171 780626408 /nfs/dbraw/zinc/62/64/08/780626408.db2.gz GXVUMGBNDDBWDY-LBPRGKRZSA-N 2 1 323.397 -1.119 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687171 780626410 /nfs/dbraw/zinc/62/64/10/780626410.db2.gz GXVUMGBNDDBWDY-LBPRGKRZSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687171 780626411 /nfs/dbraw/zinc/62/64/11/780626411.db2.gz GXVUMGBNDDBWDY-LBPRGKRZSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687171 780626413 /nfs/dbraw/zinc/62/64/13/780626413.db2.gz GXVUMGBNDDBWDY-LBPRGKRZSA-N 2 1 323.397 -1.119 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC)C1 ZINC001279911515 780630384 /nfs/dbraw/zinc/63/03/84/780630384.db2.gz JWZXIUPSDHFWQS-GFCCVEGCSA-N 2 1 316.402 -2.136 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC)C1 ZINC001279911515 780630389 /nfs/dbraw/zinc/63/03/89/780630389.db2.gz JWZXIUPSDHFWQS-GFCCVEGCSA-N 2 1 316.402 -2.136 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001283048222 780735880 /nfs/dbraw/zinc/73/58/80/780735880.db2.gz RQMPJDLLMNGVRZ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001283048222 780735884 /nfs/dbraw/zinc/73/58/84/780735884.db2.gz RQMPJDLLMNGVRZ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283790915 780776398 /nfs/dbraw/zinc/77/63/98/780776398.db2.gz BQHPHTQEGLGGHV-WDEREUQCSA-N 2 1 322.431 -2.304 20 0 DAADMP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH2+]CCC[NH3+] ZINC001160439306 781364708 /nfs/dbraw/zinc/36/47/08/781364708.db2.gz JOEIDPNHVMWYQM-SNVBAGLBSA-N 2 1 300.359 -1.795 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001146719940 781420303 /nfs/dbraw/zinc/42/03/03/781420303.db2.gz XJNDWUCHJSWEKN-UHFFFAOYSA-N 2 1 313.402 -2.008 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147893355 781459094 /nfs/dbraw/zinc/45/90/94/781459094.db2.gz OQLRTCSYWWCJGQ-LLVKDONJSA-N 2 1 306.432 -1.417 20 0 DAADMP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000234874368 781460576 /nfs/dbraw/zinc/46/05/76/781460576.db2.gz NKZLXVUHRSYFND-CHWSQXEVSA-N 2 1 303.403 -1.203 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147899984 781460963 /nfs/dbraw/zinc/46/09/63/781460963.db2.gz FTMFXFRYTCRGAL-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877423 781461213 /nfs/dbraw/zinc/46/12/13/781461213.db2.gz JUPYFNXALQOKKN-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001147877208 781461857 /nfs/dbraw/zinc/46/18/57/781461857.db2.gz GSDAXPOGUXXQRI-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148605764 781475463 /nfs/dbraw/zinc/47/54/63/781475463.db2.gz UQWQWQDCCHOWKJ-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001148642021 781475932 /nfs/dbraw/zinc/47/59/32/781475932.db2.gz BYHBTDGMXUFKBP-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001148638811 781476335 /nfs/dbraw/zinc/47/63/35/781476335.db2.gz SRXBIUSRVZBZLG-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001148656249 781476480 /nfs/dbraw/zinc/47/64/80/781476480.db2.gz XYRAYTNNVXMITB-JTQLQIEISA-N 2 1 301.391 -1.122 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754610 781479331 /nfs/dbraw/zinc/47/93/31/781479331.db2.gz FBBLEZZBJFQGQB-UHFFFAOYSA-N 2 1 323.397 -1.189 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754610 781479339 /nfs/dbraw/zinc/47/93/39/781479339.db2.gz FBBLEZZBJFQGQB-UHFFFAOYSA-N 2 1 323.397 -1.189 20 0 DAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725476 781499454 /nfs/dbraw/zinc/49/94/54/781499454.db2.gz MNPFCAXRJNYEPA-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725476 781499463 /nfs/dbraw/zinc/49/94/63/781499463.db2.gz MNPFCAXRJNYEPA-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725476 781499468 /nfs/dbraw/zinc/49/94/68/781499468.db2.gz MNPFCAXRJNYEPA-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725476 781499472 /nfs/dbraw/zinc/49/94/72/781499472.db2.gz MNPFCAXRJNYEPA-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815324 781581022 /nfs/dbraw/zinc/58/10/22/781581022.db2.gz RBJPWGZUTSFTAB-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815324 781581032 /nfs/dbraw/zinc/58/10/32/781581032.db2.gz RBJPWGZUTSFTAB-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815326 781581127 /nfs/dbraw/zinc/58/11/27/781581127.db2.gz RBJPWGZUTSFTAB-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815326 781581133 /nfs/dbraw/zinc/58/11/33/781581133.db2.gz RBJPWGZUTSFTAB-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176057533 781613386 /nfs/dbraw/zinc/61/33/86/781613386.db2.gz PSHMVDHYFCDUKJ-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC)C1 ZINC001176643912 781622330 /nfs/dbraw/zinc/62/23/30/781622330.db2.gz JIJOOLMERDOIJJ-STQMWFEESA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC)C1 ZINC001176643912 781622334 /nfs/dbraw/zinc/62/23/34/781622334.db2.gz JIJOOLMERDOIJJ-STQMWFEESA-N 2 1 303.403 -1.190 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001178356248 781645766 /nfs/dbraw/zinc/64/57/66/781645766.db2.gz KHQHLDNENFMEIU-DCAQKATOSA-N 2 1 311.386 -1.146 20 0 DAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151044069 781687000 /nfs/dbraw/zinc/68/70/00/781687000.db2.gz NEZYGOIHQZFOBO-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822530 781693914 /nfs/dbraw/zinc/69/39/14/781693914.db2.gz QXEUMEKOPDEBOI-UPJWGTAASA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822530 781693918 /nfs/dbraw/zinc/69/39/18/781693918.db2.gz QXEUMEKOPDEBOI-UPJWGTAASA-N 2 1 301.387 -1.485 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066165 781694089 /nfs/dbraw/zinc/69/40/89/781694089.db2.gz RGBXQUHYFBSOCD-CYBMUJFWSA-N 2 1 300.403 -1.203 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066166 781694866 /nfs/dbraw/zinc/69/48/66/781694866.db2.gz RGBXQUHYFBSOCD-ZDUSSCGKSA-N 2 1 300.403 -1.203 20 0 DAADMP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001151064969 781695145 /nfs/dbraw/zinc/69/51/45/781695145.db2.gz GJVPUUIEOZFCPS-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001183288759 781724425 /nfs/dbraw/zinc/72/44/25/781724425.db2.gz NIPYPJXFQCQZIJ-SNVBAGLBSA-N 2 1 311.386 -1.144 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576701 781727656 /nfs/dbraw/zinc/72/76/56/781727656.db2.gz PIFBTOMKGXDQJH-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576701 781727662 /nfs/dbraw/zinc/72/76/62/781727662.db2.gz PIFBTOMKGXDQJH-AAVRWANBSA-N 2 1 315.414 -1.097 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356069 781777109 /nfs/dbraw/zinc/77/71/09/781777109.db2.gz QADHPBKFZOOMAD-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115748 781796072 /nfs/dbraw/zinc/79/60/72/781796072.db2.gz QOPSEJAXMAEMGR-LLVKDONJSA-N 2 1 311.390 -1.521 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001187851810 781808155 /nfs/dbraw/zinc/80/81/55/781808155.db2.gz VDGJIMXCCRJERV-MWLCHTKSSA-N 2 1 322.369 -1.035 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187982739 781812556 /nfs/dbraw/zinc/81/25/56/781812556.db2.gz PLPDNMNWIISWOB-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001187982739 781812569 /nfs/dbraw/zinc/81/25/69/781812569.db2.gz PLPDNMNWIISWOB-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390515 781838492 /nfs/dbraw/zinc/83/84/92/781838492.db2.gz RJURFCYPYSPSLC-WDEREUQCSA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390515 781838506 /nfs/dbraw/zinc/83/85/06/781838506.db2.gz RJURFCYPYSPSLC-WDEREUQCSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390515 781838519 /nfs/dbraw/zinc/83/85/19/781838519.db2.gz RJURFCYPYSPSLC-WDEREUQCSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390515 781838529 /nfs/dbraw/zinc/83/85/29/781838529.db2.gz RJURFCYPYSPSLC-WDEREUQCSA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390514 781839022 /nfs/dbraw/zinc/83/90/22/781839022.db2.gz RJURFCYPYSPSLC-QWRGUYRKSA-N 2 1 311.386 -1.192 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390514 781839029 /nfs/dbraw/zinc/83/90/29/781839029.db2.gz RJURFCYPYSPSLC-QWRGUYRKSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390514 781839036 /nfs/dbraw/zinc/83/90/36/781839036.db2.gz RJURFCYPYSPSLC-QWRGUYRKSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390514 781839046 /nfs/dbraw/zinc/83/90/46/781839046.db2.gz RJURFCYPYSPSLC-QWRGUYRKSA-N 2 1 311.386 -1.192 20 0 DAADMP CN1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001189515618 781844104 /nfs/dbraw/zinc/84/41/04/781844104.db2.gz AFTSYZVITRFROE-KBPBESRZSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515618 781844110 /nfs/dbraw/zinc/84/41/10/781844110.db2.gz AFTSYZVITRFROE-KBPBESRZSA-N 2 1 315.414 -1.141 20 0 DAADMP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515618 781844113 /nfs/dbraw/zinc/84/41/13/781844113.db2.gz AFTSYZVITRFROE-KBPBESRZSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515618 781844119 /nfs/dbraw/zinc/84/41/19/781844119.db2.gz AFTSYZVITRFROE-KBPBESRZSA-N 2 1 315.414 -1.141 20 0 DAADMP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001377175182 921780746 /nfs/dbraw/zinc/78/07/46/921780746.db2.gz PDHQRWMLRBNGTI-HNNXBMFYSA-N 2 1 323.397 -1.119 20 0 DAADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001377340342 921806203 /nfs/dbraw/zinc/80/62/03/921806203.db2.gz NUMKYBNJJIUKMN-OLZOCXBDSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001377340342 921806213 /nfs/dbraw/zinc/80/62/13/921806213.db2.gz NUMKYBNJJIUKMN-OLZOCXBDSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](C)Cc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001187302455 916152624 /nfs/dbraw/zinc/15/26/24/916152624.db2.gz QZKJKDNUBBIFPE-MELADBBJSA-N 2 1 304.398 -1.119 20 0 DAADMP [NH3+]CCOCCOCCOCCNC[C@]1(O)CCC[NH2+]C1 ZINC001245994038 916170359 /nfs/dbraw/zinc/17/03/59/916170359.db2.gz OAIHRSYJOZUDLS-AWEZNQCLSA-N 2 1 305.419 -1.301 20 0 DAADMP CC[C@@H](C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1)[NH+](C)C ZINC001316961404 916243619 /nfs/dbraw/zinc/24/36/19/916243619.db2.gz IJVRALIBNTYSBE-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001317309044 916288818 /nfs/dbraw/zinc/28/88/18/916288818.db2.gz BRFPJQAHDDJROY-NEPJUHHUSA-N 2 1 318.443 -1.322 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001317309045 916290216 /nfs/dbraw/zinc/29/02/16/916290216.db2.gz BRFPJQAHDDJROY-RYUDHWBXSA-N 2 1 318.443 -1.322 20 0 DAADMP CCNC(=O)C[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001317641857 916340349 /nfs/dbraw/zinc/34/03/49/916340349.db2.gz AXHVRFSXOULRDB-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001317664332 916342307 /nfs/dbraw/zinc/34/23/07/916342307.db2.gz LVXSGWXYVSYISC-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001317664332 916342326 /nfs/dbraw/zinc/34/23/26/916342326.db2.gz LVXSGWXYVSYISC-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001320266152 916490794 /nfs/dbraw/zinc/49/07/94/916490794.db2.gz ZUBOGKZHTWGPDL-STQMWFEESA-N 2 1 310.402 -1.171 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010968 916542102 /nfs/dbraw/zinc/54/21/02/916542102.db2.gz MWWIACRIPUHPIP-YWVDXFKGSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CC2)C1 ZINC001321010968 916542120 /nfs/dbraw/zinc/54/21/20/916542120.db2.gz MWWIACRIPUHPIP-YWVDXFKGSA-N 2 1 310.398 -1.142 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001321617843 916582187 /nfs/dbraw/zinc/58/21/87/916582187.db2.gz SBCHSPLJYGVORE-GHMZBOCLSA-N 2 1 306.432 -1.276 20 0 DAADMP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001321680323 916590421 /nfs/dbraw/zinc/59/04/21/916590421.db2.gz DBMQQXAMZIHAEX-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001325997533 916880737 /nfs/dbraw/zinc/88/07/37/916880737.db2.gz RUMVLMRRPKQPEA-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001325997533 916880743 /nfs/dbraw/zinc/88/07/43/916880743.db2.gz RUMVLMRRPKQPEA-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC001326004062 916884138 /nfs/dbraw/zinc/88/41/38/916884138.db2.gz ARTFMYDEUNLCEG-NSHDSACASA-N 2 1 313.402 -1.880 20 0 DAADMP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001326107654 916899655 /nfs/dbraw/zinc/89/96/55/916899655.db2.gz PLWCMLLNARBPMX-OLZOCXBDSA-N 2 1 312.414 -1.101 20 0 DAADMP OC[C@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067538 916990182 /nfs/dbraw/zinc/99/01/82/916990182.db2.gz PUKXVDNIKDXBQD-PYHGIMPFSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067538 916990207 /nfs/dbraw/zinc/99/02/07/916990207.db2.gz PUKXVDNIKDXBQD-PYHGIMPFSA-N 2 1 302.415 -1.273 20 0 DAADMP OC[C@H]1C[NH+](CCCCC[N@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001327067538 916990230 /nfs/dbraw/zinc/99/02/30/916990230.db2.gz PUKXVDNIKDXBQD-PYHGIMPFSA-N 2 1 302.415 -1.273 20 0 DAADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327175176 916992323 /nfs/dbraw/zinc/99/23/23/916992323.db2.gz CMHYHSIYCUATLE-MELADBBJSA-N 2 1 324.425 -1.326 20 0 DAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001327510592 917020534 /nfs/dbraw/zinc/02/05/34/917020534.db2.gz UBFGBWJWSLYQAA-UHFFFAOYSA-N 2 1 313.446 -1.064 20 0 DAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327525294 917022709 /nfs/dbraw/zinc/02/27/09/917022709.db2.gz SWXWCFDGMZVMGQ-ZDUSSCGKSA-N 2 1 311.430 -1.440 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001327708233 917038053 /nfs/dbraw/zinc/03/80/53/917038053.db2.gz VNKLTULMUYBCCD-CLRIEMFWSA-N 2 1 324.425 -1.008 20 0 DAADMP [NH3+]CCOCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328580850 917095723 /nfs/dbraw/zinc/09/57/23/917095723.db2.gz BNLHZCVHGWNOIX-ZDUSSCGKSA-N 2 1 300.403 -1.516 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC001328971007 917124636 /nfs/dbraw/zinc/12/46/36/917124636.db2.gz DDTYIPYLKVTGFO-LBPRGKRZSA-N 2 1 315.418 -2.170 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC001329453306 917169663 /nfs/dbraw/zinc/16/96/63/917169663.db2.gz BMTBMWHDULNINT-QWHCGFSZSA-N 2 1 311.430 -1.536 20 0 DAADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329531860 917178624 /nfs/dbraw/zinc/17/86/24/917178624.db2.gz MXANAVZRBJSSKC-LLVKDONJSA-N 2 1 313.402 -1.074 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001331119782 917279278 /nfs/dbraw/zinc/27/92/78/917279278.db2.gz PVETZCLYLREKTH-FRRDWIJNSA-N 2 1 311.430 -1.266 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001331168203 917283604 /nfs/dbraw/zinc/28/36/04/917283604.db2.gz QIGJNHHILZPIJQ-RNJOBUHISA-N 2 1 310.398 -1.181 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001331319547 917290452 /nfs/dbraw/zinc/29/04/52/917290452.db2.gz NZIBGFCUXUATQX-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001331742429 917328745 /nfs/dbraw/zinc/32/87/45/917328745.db2.gz BGAWOXFREGIWEA-XQQFMLRXSA-N 2 1 310.398 -1.166 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001332250694 917361215 /nfs/dbraw/zinc/36/12/15/917361215.db2.gz NOVNHFWFUNQRGD-MCIONIFRSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001332250696 917361768 /nfs/dbraw/zinc/36/17/68/917361768.db2.gz NOVNHFWFUNQRGD-MGPQQGTHSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](CCCCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001332365437 917366618 /nfs/dbraw/zinc/36/66/18/917366618.db2.gz SOLNAZBIIFQVAO-UHFFFAOYSA-N 2 1 319.475 -1.246 20 0 DAADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332415522 917368816 /nfs/dbraw/zinc/36/88/16/917368816.db2.gz DDIRYEMKIVEOGW-FRRDWIJNSA-N 2 1 310.398 -1.539 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)C1 ZINC001332607859 917393493 /nfs/dbraw/zinc/39/34/93/917393493.db2.gz UPAKYLDKLLIIIG-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)C1 ZINC001332607859 917393510 /nfs/dbraw/zinc/39/35/10/917393510.db2.gz UPAKYLDKLLIIIG-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)C1 ZINC001332607802 917393853 /nfs/dbraw/zinc/39/38/53/917393853.db2.gz UPAKYLDKLLIIIG-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)C1 ZINC001332607802 917393865 /nfs/dbraw/zinc/39/38/65/917393865.db2.gz UPAKYLDKLLIIIG-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCOC)C1 ZINC001332605830 917395093 /nfs/dbraw/zinc/39/50/93/917395093.db2.gz LVJFSMGVHQZORW-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCOC)C1 ZINC001332605830 917395111 /nfs/dbraw/zinc/39/51/11/917395111.db2.gz LVJFSMGVHQZORW-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001332816440 917411289 /nfs/dbraw/zinc/41/12/89/917411289.db2.gz TULBMCXHPOGUJK-ZDUSSCGKSA-N 2 1 311.430 -1.440 20 0 DAADMP CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001332816436 917411447 /nfs/dbraw/zinc/41/14/47/917411447.db2.gz TULBMCXHPOGUJK-CYBMUJFWSA-N 2 1 311.430 -1.440 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C1=CC[N@@H+](C)CC1 ZINC001335187607 917529677 /nfs/dbraw/zinc/52/96/77/917529677.db2.gz NJWKJYOXKZZFLJ-ZDUSSCGKSA-N 2 1 323.441 -1.226 20 0 DAADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335205566 917533991 /nfs/dbraw/zinc/53/39/91/917533991.db2.gz VFPOQJIIVOSJQQ-STQMWFEESA-N 2 1 310.398 -1.620 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335255452 917539518 /nfs/dbraw/zinc/53/95/18/917539518.db2.gz MDZDBWQJVWNWRP-YNEHKIRRSA-N 2 1 312.414 -1.103 20 0 DAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001336633382 917598042 /nfs/dbraw/zinc/59/80/42/917598042.db2.gz KQWWGQWWGZCCDQ-UHFFFAOYSA-N 2 1 311.430 -1.310 20 0 DAADMP CNC(=O)C[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC001339978805 917725309 /nfs/dbraw/zinc/72/53/09/917725309.db2.gz HDTMWZVRCZZWLT-NSHDSACASA-N 2 1 311.386 -1.321 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340929833 917746167 /nfs/dbraw/zinc/74/61/67/917746167.db2.gz LXKMVVLMTGALJX-QLFBSQMISA-N 2 1 307.442 -1.119 20 0 DAADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341733723 917762831 /nfs/dbraw/zinc/76/28/31/917762831.db2.gz RFYTWWPSVJCZRM-CYBMUJFWSA-N 2 1 323.441 -1.440 20 0 DAADMP [NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001345957982 917864918 /nfs/dbraw/zinc/86/49/18/917864918.db2.gz FYQIMKTUIUGKCO-OLZOCXBDSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001345911107 917865534 /nfs/dbraw/zinc/86/55/34/917865534.db2.gz IDBLTGFWDZPHMR-STQMWFEESA-N 2 1 311.430 -1.393 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001345911104 917866581 /nfs/dbraw/zinc/86/65/81/917866581.db2.gz IDBLTGFWDZPHMR-CHWSQXEVSA-N 2 1 311.430 -1.393 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131933 917928668 /nfs/dbraw/zinc/92/86/68/917928668.db2.gz MHLCWNSYOYMKIG-UONOGXRCSA-N 2 1 314.430 -1.568 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001348319221 917937072 /nfs/dbraw/zinc/93/70/72/917937072.db2.gz DNPURUYMBQLUSL-GFCCVEGCSA-N 2 1 313.446 -1.066 20 0 DAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)Cn1ccnn1 ZINC001349911135 918044997 /nfs/dbraw/zinc/04/49/97/918044997.db2.gz KLVRRSDBIHYFBN-LBPRGKRZSA-N 2 1 311.390 -1.525 20 0 DAADMP CN1CCN(CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001351716457 918105260 /nfs/dbraw/zinc/10/52/60/918105260.db2.gz NWMAUVYELXZZMQ-ZDUSSCGKSA-N 2 1 311.430 -1.310 20 0 DAADMP C[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001351716457 918105270 /nfs/dbraw/zinc/10/52/70/918105270.db2.gz NWMAUVYELXZZMQ-ZDUSSCGKSA-N 2 1 311.430 -1.310 20 0 DAADMP [NH3+]CCNCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001354633273 918184744 /nfs/dbraw/zinc/18/47/44/918184744.db2.gz ZOOLFCJZXMNTCZ-CQSZACIVSA-N 2 1 313.446 -1.553 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCN1CCC([NH3+])CC1 ZINC001356629851 918232760 /nfs/dbraw/zinc/23/27/60/918232760.db2.gz SRCHHTXNFYTQLD-AWEZNQCLSA-N 2 1 312.462 -1.046 20 0 DAADMP COCC[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357345557 918278500 /nfs/dbraw/zinc/27/85/00/918278500.db2.gz ASWBRKZMFIUVHF-ZDUSSCGKSA-N 2 1 312.414 -1.026 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366144553 919286408 /nfs/dbraw/zinc/28/64/08/919286408.db2.gz ZHEFVWICAZJXID-CHWFTXMASA-N 2 1 311.386 -1.099 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366144558 919288094 /nfs/dbraw/zinc/28/80/94/919288094.db2.gz ZHEFVWICAZJXID-UKKRHICBSA-N 2 1 311.386 -1.099 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260554 919296570 /nfs/dbraw/zinc/29/65/70/919296570.db2.gz KXGDAXRCFFNWGI-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260554 919296587 /nfs/dbraw/zinc/29/65/87/919296587.db2.gz KXGDAXRCFFNWGI-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260557 919299060 /nfs/dbraw/zinc/29/90/60/919299060.db2.gz KXGDAXRCFFNWGI-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260557 919299075 /nfs/dbraw/zinc/29/90/75/919299075.db2.gz KXGDAXRCFFNWGI-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001366237180 919299254 /nfs/dbraw/zinc/29/92/54/919299254.db2.gz HJYXGIDPQKQGLO-ZIQFBCGOSA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001366237180 919299264 /nfs/dbraw/zinc/29/92/64/919299264.db2.gz HJYXGIDPQKQGLO-ZIQFBCGOSA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001366237180 919299282 /nfs/dbraw/zinc/29/92/82/919299282.db2.gz HJYXGIDPQKQGLO-ZIQFBCGOSA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001366237180 919299297 /nfs/dbraw/zinc/29/92/97/919299297.db2.gz HJYXGIDPQKQGLO-ZIQFBCGOSA-N 2 1 323.397 -1.290 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260559 919302519 /nfs/dbraw/zinc/30/25/19/919302519.db2.gz KXGDAXRCFFNWGI-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC1CC1 ZINC001366260559 919302537 /nfs/dbraw/zinc/30/25/37/919302537.db2.gz KXGDAXRCFFNWGI-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366405964 919328067 /nfs/dbraw/zinc/32/80/67/919328067.db2.gz FIZMQRHXYLDSSL-LLVKDONJSA-N 2 1 322.369 -1.175 20 0 DAADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366759792 919376006 /nfs/dbraw/zinc/37/60/06/919376006.db2.gz HISCIAFEEGFBTC-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366759792 919376019 /nfs/dbraw/zinc/37/60/19/919376019.db2.gz HISCIAFEEGFBTC-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001366881104 919391731 /nfs/dbraw/zinc/39/17/31/919391731.db2.gz KAMHTNPEQMLZCO-ZDUSSCGKSA-N 2 1 312.414 -1.026 20 0 DAADMP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001366881104 919391747 /nfs/dbraw/zinc/39/17/47/919391747.db2.gz KAMHTNPEQMLZCO-ZDUSSCGKSA-N 2 1 312.414 -1.026 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(=O)NC ZINC001367140966 919437255 /nfs/dbraw/zinc/43/72/55/919437255.db2.gz OAXMSAUCYTXNAQ-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293273 919447989 /nfs/dbraw/zinc/44/79/89/919447989.db2.gz YJXXSLWGAOFCMF-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293273 919447998 /nfs/dbraw/zinc/44/79/98/919447998.db2.gz YJXXSLWGAOFCMF-NEPJUHHUSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293298 919448188 /nfs/dbraw/zinc/44/81/88/919448188.db2.gz YJXXSLWGAOFCMF-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293298 919448203 /nfs/dbraw/zinc/44/82/03/919448203.db2.gz YJXXSLWGAOFCMF-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585482 919494778 /nfs/dbraw/zinc/49/47/78/919494778.db2.gz NRFVUCBPOGARQP-NEPJUHHUSA-N 2 1 314.386 -2.338 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585482 919494792 /nfs/dbraw/zinc/49/47/92/919494792.db2.gz NRFVUCBPOGARQP-NEPJUHHUSA-N 2 1 314.386 -2.338 20 0 DAADMP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367583440 919495856 /nfs/dbraw/zinc/49/58/56/919495856.db2.gz QILGTXLEMAPEDA-OLZOCXBDSA-N 2 1 310.402 -1.041 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594837 919508494 /nfs/dbraw/zinc/50/84/94/919508494.db2.gz SMKUZAQNIQYHKJ-CHWSQXEVSA-N 2 1 312.414 -1.184 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367609348 919525503 /nfs/dbraw/zinc/52/55/03/919525503.db2.gz RGVATNWVWQHZCK-UPJWGTAASA-N 2 1 303.403 -1.455 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622751 919536643 /nfs/dbraw/zinc/53/66/43/919536643.db2.gz HYYFSBAYTSWHLR-CMPLNLGQSA-N 2 1 323.401 -1.474 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001367622751 919536655 /nfs/dbraw/zinc/53/66/55/919536655.db2.gz HYYFSBAYTSWHLR-CMPLNLGQSA-N 2 1 323.401 -1.474 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367625260 919539352 /nfs/dbraw/zinc/53/93/52/919539352.db2.gz QFDLQRRQMPVENK-NSHDSACASA-N 2 1 308.386 -1.522 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629282 919544764 /nfs/dbraw/zinc/54/47/64/919544764.db2.gz ISYIOALXGKWAID-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629282 919544770 /nfs/dbraw/zinc/54/47/70/919544770.db2.gz ISYIOALXGKWAID-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367670101 919549659 /nfs/dbraw/zinc/54/96/59/919549659.db2.gz GNGCQUFMBSSTAZ-GMTAPVOTSA-N 2 1 313.402 -1.124 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367666388 919549965 /nfs/dbraw/zinc/54/99/65/919549965.db2.gz QZUPNLQTRSBIMI-KGLIPLIRSA-N 2 1 315.414 -1.188 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367790723 919576118 /nfs/dbraw/zinc/57/61/18/919576118.db2.gz SWBFTXOXZUGDGU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367790723 919576126 /nfs/dbraw/zinc/57/61/26/919576126.db2.gz SWBFTXOXZUGDGU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367790723 919576132 /nfs/dbraw/zinc/57/61/32/919576132.db2.gz SWBFTXOXZUGDGU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367790723 919576140 /nfs/dbraw/zinc/57/61/40/919576140.db2.gz SWBFTXOXZUGDGU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)NC(N)=O ZINC001367994262 919599420 /nfs/dbraw/zinc/59/94/20/919599420.db2.gz YXHJKYZZBCUZJJ-UWVGGRQHSA-N 2 1 311.386 -1.098 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368047853 919608136 /nfs/dbraw/zinc/60/81/36/919608136.db2.gz OUADRQVTHLCHKF-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001368047853 919608148 /nfs/dbraw/zinc/60/81/48/919608148.db2.gz OUADRQVTHLCHKF-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368249481 919636703 /nfs/dbraw/zinc/63/67/03/919636703.db2.gz UGFPOGWUZWRWOK-BBRMVZONSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368249481 919636712 /nfs/dbraw/zinc/63/67/12/919636712.db2.gz UGFPOGWUZWRWOK-BBRMVZONSA-N 2 1 324.425 -1.373 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001368267833 919647937 /nfs/dbraw/zinc/64/79/37/919647937.db2.gz ISOYMMTZKQFOOF-OCCSQVGLSA-N 2 1 300.403 -1.389 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001368267833 919647950 /nfs/dbraw/zinc/64/79/50/919647950.db2.gz ISOYMMTZKQFOOF-OCCSQVGLSA-N 2 1 300.403 -1.389 20 0 DAADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001368355458 919703572 /nfs/dbraw/zinc/70/35/72/919703572.db2.gz KWDRHYWITDGGAK-PHIMTYICSA-N 2 1 311.386 -1.477 20 0 DAADMP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001368684799 919760966 /nfs/dbraw/zinc/76/09/66/919760966.db2.gz JOJMLJQRABUUSR-UHFFFAOYSA-N 2 1 323.397 -1.119 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001368715869 919767005 /nfs/dbraw/zinc/76/70/05/919767005.db2.gz PHXAJKSYJKQXMV-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001368715869 919767020 /nfs/dbraw/zinc/76/70/20/919767020.db2.gz PHXAJKSYJKQXMV-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368726115 919767318 /nfs/dbraw/zinc/76/73/18/919767318.db2.gz NMFZQXOVMKRWKA-VIFPVBQESA-N 2 1 310.358 -1.129 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368931214 919784747 /nfs/dbraw/zinc/78/47/47/919784747.db2.gz KQRYMHNTFHLXQJ-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001368931214 919784763 /nfs/dbraw/zinc/78/47/63/919784763.db2.gz KQRYMHNTFHLXQJ-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368931214 919784778 /nfs/dbraw/zinc/78/47/78/919784778.db2.gz KQRYMHNTFHLXQJ-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368931214 919784792 /nfs/dbraw/zinc/78/47/92/919784792.db2.gz KQRYMHNTFHLXQJ-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368931210 919786894 /nfs/dbraw/zinc/78/68/94/919786894.db2.gz KQRYMHNTFHLXQJ-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368931210 919786903 /nfs/dbraw/zinc/78/69/03/919786903.db2.gz KQRYMHNTFHLXQJ-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368931210 919786911 /nfs/dbraw/zinc/78/69/11/919786911.db2.gz KQRYMHNTFHLXQJ-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368931210 919786920 /nfs/dbraw/zinc/78/69/20/919786920.db2.gz KQRYMHNTFHLXQJ-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001369325409 919862082 /nfs/dbraw/zinc/86/20/82/919862082.db2.gz RFLABYQTLYQYQW-LLVKDONJSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001369325409 919862094 /nfs/dbraw/zinc/86/20/94/919862094.db2.gz RFLABYQTLYQYQW-LLVKDONJSA-N 2 1 310.402 -1.134 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001369326267 919862265 /nfs/dbraw/zinc/86/22/65/919862265.db2.gz TXPOYHUKCDEFEM-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001369340962 919877951 /nfs/dbraw/zinc/87/79/51/919877951.db2.gz IMENBCCGIYBDFR-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001369340962 919877961 /nfs/dbraw/zinc/87/79/61/919877961.db2.gz IMENBCCGIYBDFR-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001369349136 919885706 /nfs/dbraw/zinc/88/57/06/919885706.db2.gz WOSWBXQFFYQPPB-GFCCVEGCSA-N 2 1 312.414 -1.230 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001369360509 919895469 /nfs/dbraw/zinc/89/54/69/919895469.db2.gz IALPYPOYZCLNMX-YGRLFVJLSA-N 2 1 318.393 -1.249 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001369380011 919914898 /nfs/dbraw/zinc/91/48/98/919914898.db2.gz GNOOAUCCHMRNEL-LBPRGKRZSA-N 2 1 310.402 -1.040 20 0 DAADMP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001369383322 919918423 /nfs/dbraw/zinc/91/84/23/919918423.db2.gz NKSKMIRQYIABHL-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001369402489 919923943 /nfs/dbraw/zinc/92/39/43/919923943.db2.gz RKXMXSCRXOZPFE-GXSJLCMTSA-N 2 1 322.369 -1.035 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001369402504 919924021 /nfs/dbraw/zinc/92/40/21/919924021.db2.gz RKXMXSCRXOZPFE-ONGXEEELSA-N 2 1 322.369 -1.035 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001369474278 919948085 /nfs/dbraw/zinc/94/80/85/919948085.db2.gz JAGXCHDLTSVXPI-LLVKDONJSA-N 2 1 302.419 -1.142 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001369477225 919951338 /nfs/dbraw/zinc/95/13/38/919951338.db2.gz BBBJDDDWPTYLPB-STQMWFEESA-N 2 1 323.397 -1.169 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001369477224 919952707 /nfs/dbraw/zinc/95/27/07/919952707.db2.gz BBBJDDDWPTYLPB-QWHCGFSZSA-N 2 1 323.397 -1.169 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001369481304 919956615 /nfs/dbraw/zinc/95/66/15/919956615.db2.gz QBZGNUCFFKMVPO-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001369482374 919957699 /nfs/dbraw/zinc/95/76/99/919957699.db2.gz JRGBIIZDIUPYJC-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369489306 919962687 /nfs/dbraw/zinc/96/26/87/919962687.db2.gz ZNJRTWUZKPPOCD-RYUDHWBXSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369489306 919962692 /nfs/dbraw/zinc/96/26/92/919962692.db2.gz ZNJRTWUZKPPOCD-RYUDHWBXSA-N 2 1 310.402 -1.324 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490887 919967213 /nfs/dbraw/zinc/96/72/13/919967213.db2.gz QOYVFNYFEISFCL-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490887 919967225 /nfs/dbraw/zinc/96/72/25/919967225.db2.gz QOYVFNYFEISFCL-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001369506188 919969797 /nfs/dbraw/zinc/96/97/97/919969797.db2.gz PGJUANDORMNSOG-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001369506188 919969812 /nfs/dbraw/zinc/96/98/12/919969812.db2.gz PGJUANDORMNSOG-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001369506188 919969823 /nfs/dbraw/zinc/96/98/23/919969823.db2.gz PGJUANDORMNSOG-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369506188 919969840 /nfs/dbraw/zinc/96/98/40/919969840.db2.gz PGJUANDORMNSOG-QWHCGFSZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001369506185 919972183 /nfs/dbraw/zinc/97/21/83/919972183.db2.gz PGJUANDORMNSOG-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001369506185 919972194 /nfs/dbraw/zinc/97/21/94/919972194.db2.gz PGJUANDORMNSOG-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001369506185 919972206 /nfs/dbraw/zinc/97/22/06/919972206.db2.gz PGJUANDORMNSOG-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369506185 919972215 /nfs/dbraw/zinc/97/22/15/919972215.db2.gz PGJUANDORMNSOG-OLZOCXBDSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369513077 919975738 /nfs/dbraw/zinc/97/57/38/919975738.db2.gz VNMKPXDRSWDJML-GFCCVEGCSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369513077 919975754 /nfs/dbraw/zinc/97/57/54/919975754.db2.gz VNMKPXDRSWDJML-GFCCVEGCSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001369510848 919976810 /nfs/dbraw/zinc/97/68/10/919976810.db2.gz BYCNEHWXPYOPCN-ZDUSSCGKSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001370565850 920069514 /nfs/dbraw/zinc/06/95/14/920069514.db2.gz SMAYWXBYCVQYKD-SYQHCUMBSA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001370565850 920069522 /nfs/dbraw/zinc/06/95/22/920069522.db2.gz SMAYWXBYCVQYKD-SYQHCUMBSA-N 2 1 315.414 -1.049 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370685982 920114996 /nfs/dbraw/zinc/11/49/96/920114996.db2.gz WWBWQJKOWBIADO-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370685982 920115005 /nfs/dbraw/zinc/11/50/05/920115005.db2.gz WWBWQJKOWBIADO-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CN(CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001372221102 920348496 /nfs/dbraw/zinc/34/84/96/920348496.db2.gz PDODFUAUUGYUHI-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001372221102 920348513 /nfs/dbraw/zinc/34/85/13/920348513.db2.gz PDODFUAUUGYUHI-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001372221102 920348530 /nfs/dbraw/zinc/34/85/30/920348530.db2.gz PDODFUAUUGYUHI-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001372221102 920348548 /nfs/dbraw/zinc/34/85/48/920348548.db2.gz PDODFUAUUGYUHI-LBPRGKRZSA-N 2 1 320.459 -1.123 20 0 DAADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(=O)NC ZINC001372476586 920375606 /nfs/dbraw/zinc/37/56/06/920375606.db2.gz KOHKMDDNXTVQKP-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(=O)NC ZINC001372476586 920375626 /nfs/dbraw/zinc/37/56/26/920375626.db2.gz KOHKMDDNXTVQKP-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001372942580 920438663 /nfs/dbraw/zinc/43/86/63/920438663.db2.gz FXIHHHZLXAZILA-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734904 920555541 /nfs/dbraw/zinc/55/55/41/920555541.db2.gz IQXOAISJUAKJEU-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734904 920555557 /nfs/dbraw/zinc/55/55/57/920555557.db2.gz IQXOAISJUAKJEU-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734902 920556106 /nfs/dbraw/zinc/55/61/06/920556106.db2.gz IQXOAISJUAKJEU-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001373734902 920556111 /nfs/dbraw/zinc/55/61/11/920556111.db2.gz IQXOAISJUAKJEU-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374608660 920645460 /nfs/dbraw/zinc/64/54/60/920645460.db2.gz YYYOHHILCQTDGD-STQMWFEESA-N 2 1 322.413 -1.276 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374639028 920666071 /nfs/dbraw/zinc/66/60/71/920666071.db2.gz RGVATNWVWQHZCK-AGIUHOORSA-N 2 1 303.403 -1.455 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001374654783 920674504 /nfs/dbraw/zinc/67/45/04/920674504.db2.gz HGPQJYRVCUSLEQ-LBPRGKRZSA-N 2 1 316.402 -2.136 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001374684834 920694032 /nfs/dbraw/zinc/69/40/32/920694032.db2.gz NUCFTWNFPATYAV-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375100635 920746076 /nfs/dbraw/zinc/74/60/76/920746076.db2.gz GPVBXULXUBNBEO-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375100635 920746088 /nfs/dbraw/zinc/74/60/88/920746088.db2.gz GPVBXULXUBNBEO-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375100634 920747472 /nfs/dbraw/zinc/74/74/72/920747472.db2.gz GPVBXULXUBNBEO-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375100634 920747487 /nfs/dbraw/zinc/74/74/87/920747487.db2.gz GPVBXULXUBNBEO-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001375403909 920773651 /nfs/dbraw/zinc/77/36/51/920773651.db2.gz DUYQSPWJZQKPKV-GFCCVEGCSA-N 2 1 308.386 -1.153 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)C1 ZINC001375403909 920773661 /nfs/dbraw/zinc/77/36/61/920773661.db2.gz DUYQSPWJZQKPKV-GFCCVEGCSA-N 2 1 308.386 -1.153 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001375686448 920796759 /nfs/dbraw/zinc/79/67/59/920796759.db2.gz UPPQWPMQXMLVPV-CQSZACIVSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001375686448 920796768 /nfs/dbraw/zinc/79/67/68/920796768.db2.gz UPPQWPMQXMLVPV-CQSZACIVSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001375751131 920806237 /nfs/dbraw/zinc/80/62/37/920806237.db2.gz RWCMFHLRAWAOGE-MNOVXSKESA-N 2 1 311.386 -1.144 20 0 DAADMP COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376003284 920820515 /nfs/dbraw/zinc/82/05/15/920820515.db2.gz ITOYIXBKCFFSIV-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376003284 920820523 /nfs/dbraw/zinc/82/05/23/920820523.db2.gz ITOYIXBKCFFSIV-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376003284 920820537 /nfs/dbraw/zinc/82/05/37/920820537.db2.gz ITOYIXBKCFFSIV-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376003284 920820551 /nfs/dbraw/zinc/82/05/51/920820551.db2.gz ITOYIXBKCFFSIV-TZMCWYRMSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376003282 920820860 /nfs/dbraw/zinc/82/08/60/920820860.db2.gz ITOYIXBKCFFSIV-JSGCOSHPSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376003282 920820875 /nfs/dbraw/zinc/82/08/75/920820875.db2.gz ITOYIXBKCFFSIV-JSGCOSHPSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376003282 920820888 /nfs/dbraw/zinc/82/08/88/920820888.db2.gz ITOYIXBKCFFSIV-JSGCOSHPSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376003282 920820901 /nfs/dbraw/zinc/82/09/01/920820901.db2.gz ITOYIXBKCFFSIV-JSGCOSHPSA-N 2 1 301.387 -1.484 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042115 920833924 /nfs/dbraw/zinc/83/39/24/920833924.db2.gz KNENIFVFRIWMJH-IAQYHMDHSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042115 920833936 /nfs/dbraw/zinc/83/39/36/920833936.db2.gz KNENIFVFRIWMJH-IAQYHMDHSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376042115 920833945 /nfs/dbraw/zinc/83/39/45/920833945.db2.gz KNENIFVFRIWMJH-IAQYHMDHSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042115 920833954 /nfs/dbraw/zinc/83/39/54/920833954.db2.gz KNENIFVFRIWMJH-IAQYHMDHSA-N 2 1 312.414 -1.103 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376096213 920853977 /nfs/dbraw/zinc/85/39/77/920853977.db2.gz SHPWUWZPKRSZDS-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376096213 920853987 /nfs/dbraw/zinc/85/39/87/920853987.db2.gz SHPWUWZPKRSZDS-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376096213 920853997 /nfs/dbraw/zinc/85/39/97/920853997.db2.gz SHPWUWZPKRSZDS-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376096213 920854010 /nfs/dbraw/zinc/85/40/10/920854010.db2.gz SHPWUWZPKRSZDS-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100252 920855910 /nfs/dbraw/zinc/85/59/10/920855910.db2.gz UMDRBJBGTVYMSV-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCOC)C2)C1 ZINC001376100252 920855923 /nfs/dbraw/zinc/85/59/23/920855923.db2.gz UMDRBJBGTVYMSV-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCOC)C2)C1 ZINC001376100252 920855934 /nfs/dbraw/zinc/85/59/34/920855934.db2.gz UMDRBJBGTVYMSV-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100252 920855948 /nfs/dbraw/zinc/85/59/48/920855948.db2.gz UMDRBJBGTVYMSV-UKRRQHHQSA-N 2 1 315.414 -1.094 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155029 920874635 /nfs/dbraw/zinc/87/46/35/920874635.db2.gz SGVOLUIWQSGHHA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155029 920874641 /nfs/dbraw/zinc/87/46/41/920874641.db2.gz SGVOLUIWQSGHHA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155008 920875744 /nfs/dbraw/zinc/87/57/44/920875744.db2.gz SGVOLUIWQSGHHA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155008 920875751 /nfs/dbraw/zinc/87/57/51/920875751.db2.gz SGVOLUIWQSGHHA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376363586 920926740 /nfs/dbraw/zinc/92/67/40/920926740.db2.gz VOYWKFDZDLRGKT-GUBZILKMSA-N 2 1 313.358 -2.251 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376363586 920926757 /nfs/dbraw/zinc/92/67/57/920926757.db2.gz VOYWKFDZDLRGKT-GUBZILKMSA-N 2 1 313.358 -2.251 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376370898 920928677 /nfs/dbraw/zinc/92/86/77/920928677.db2.gz ZRGXSAWZDFBFID-DCAQKATOSA-N 2 1 311.386 -1.227 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001376544474 920974510 /nfs/dbraw/zinc/97/45/10/920974510.db2.gz FLSIMRRRSVPQRR-CYBMUJFWSA-N 2 1 323.397 -1.167 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376546213 920976184 /nfs/dbraw/zinc/97/61/84/920976184.db2.gz DKXPYQUIJCUJKW-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376546206 920976256 /nfs/dbraw/zinc/97/62/56/920976256.db2.gz DKXPYQUIJCUJKW-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001376666486 921012003 /nfs/dbraw/zinc/01/20/03/921012003.db2.gz YPTUPSDCCKAZPX-QWHCGFSZSA-N 2 1 323.397 -1.039 20 0 DAADMP CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001376666486 921012015 /nfs/dbraw/zinc/01/20/15/921012015.db2.gz YPTUPSDCCKAZPX-QWHCGFSZSA-N 2 1 323.397 -1.039 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001376857012 921046033 /nfs/dbraw/zinc/04/60/33/921046033.db2.gz CGUPYWXWTMDMAO-CHWSQXEVSA-N 2 1 312.414 -1.157 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377514414 921830208 /nfs/dbraw/zinc/83/02/08/921830208.db2.gz SRSWHSUKCGPBRY-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377514414 921830219 /nfs/dbraw/zinc/83/02/19/921830219.db2.gz SRSWHSUKCGPBRY-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378644573 921984781 /nfs/dbraw/zinc/98/47/81/921984781.db2.gz KXBOHDAVSCDVBC-SNVBAGLBSA-N 2 1 324.385 -1.011 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379180291 922053907 /nfs/dbraw/zinc/05/39/07/922053907.db2.gz KXRQEWYHTJSNJF-RYUDHWBXSA-N 2 1 316.402 -2.090 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379180291 922053922 /nfs/dbraw/zinc/05/39/22/922053922.db2.gz KXRQEWYHTJSNJF-RYUDHWBXSA-N 2 1 316.402 -2.090 20 0 DAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379182019 922054320 /nfs/dbraw/zinc/05/43/20/922054320.db2.gz NSODIXHLSHLQSL-QWHCGFSZSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379182019 922054337 /nfs/dbraw/zinc/05/43/37/922054337.db2.gz NSODIXHLSHLQSL-QWHCGFSZSA-N 2 1 311.386 -1.683 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001379206502 922070411 /nfs/dbraw/zinc/07/04/11/922070411.db2.gz ODECZFPZFBALPQ-OLZOCXBDSA-N 2 1 312.414 -1.184 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001379241010 922094028 /nfs/dbraw/zinc/09/40/28/922094028.db2.gz JNHXXRJKYAWZPB-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001379239539 922095287 /nfs/dbraw/zinc/09/52/87/922095287.db2.gz WSTLARVQVKRYII-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379253523 922101105 /nfs/dbraw/zinc/10/11/05/922101105.db2.gz NYGBILYRRTUQTO-OLZOCXBDSA-N 2 1 323.397 -1.073 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379293874 922119322 /nfs/dbraw/zinc/11/93/22/922119322.db2.gz PONOQUIAZBDMTG-MNOVXSKESA-N 2 1 313.406 -1.322 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379293874 922119332 /nfs/dbraw/zinc/11/93/32/922119332.db2.gz PONOQUIAZBDMTG-MNOVXSKESA-N 2 1 313.406 -1.322 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379293159 922119515 /nfs/dbraw/zinc/11/95/15/922119515.db2.gz PONOQUIAZBDMTG-GHMZBOCLSA-N 2 1 313.406 -1.322 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379293159 922119523 /nfs/dbraw/zinc/11/95/23/922119523.db2.gz PONOQUIAZBDMTG-GHMZBOCLSA-N 2 1 313.406 -1.322 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001379294788 922119755 /nfs/dbraw/zinc/11/97/55/922119755.db2.gz QTTHYDMNSRXEIJ-VXGBXAGGSA-N 2 1 316.402 -2.090 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001379294788 922119765 /nfs/dbraw/zinc/11/97/65/922119765.db2.gz QTTHYDMNSRXEIJ-VXGBXAGGSA-N 2 1 316.402 -2.090 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379293876 922120588 /nfs/dbraw/zinc/12/05/88/922120588.db2.gz PONOQUIAZBDMTG-QWRGUYRKSA-N 2 1 313.406 -1.322 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379293876 922120607 /nfs/dbraw/zinc/12/06/07/922120607.db2.gz PONOQUIAZBDMTG-QWRGUYRKSA-N 2 1 313.406 -1.322 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379397055 922153658 /nfs/dbraw/zinc/15/36/58/922153658.db2.gz NDWJXZXLNKLFJM-FRRDWIJNSA-N 2 1 314.430 -1.081 20 0 DAADMP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410963 922161437 /nfs/dbraw/zinc/16/14/37/922161437.db2.gz MDOHYFKYXAQDNJ-YPMHNXCESA-N 2 1 312.414 -1.232 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001379410084 922161602 /nfs/dbraw/zinc/16/16/02/922161602.db2.gz KADCQCFNQSCIJG-AAEUAGOBSA-N 2 1 312.414 -1.184 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001379410091 922162417 /nfs/dbraw/zinc/16/24/17/922162417.db2.gz KADCQCFNQSCIJG-YPMHNXCESA-N 2 1 312.414 -1.184 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001379427885 922167628 /nfs/dbraw/zinc/16/76/28/922167628.db2.gz UQIDVGLGGUSJCB-YPMHNXCESA-N 2 1 312.418 -1.032 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379473863 922192397 /nfs/dbraw/zinc/19/23/97/922192397.db2.gz COYHCVCNWJUPRL-CHWSQXEVSA-N 2 1 310.402 -1.313 20 0 DAADMP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC1 ZINC001379499118 922203814 /nfs/dbraw/zinc/20/38/14/922203814.db2.gz WUQXRYLHLYHORK-ZDUSSCGKSA-N 2 1 314.430 -1.127 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379526718 922218304 /nfs/dbraw/zinc/21/83/04/922218304.db2.gz KNWKIPWQZZJSCW-VXGBXAGGSA-N 2 1 300.403 -1.471 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379583890 922229672 /nfs/dbraw/zinc/22/96/72/922229672.db2.gz WDUWJYSAIIHPRZ-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379676130 922236479 /nfs/dbraw/zinc/23/64/79/922236479.db2.gz ZPGMYAWZEZRXHF-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001379676130 922236492 /nfs/dbraw/zinc/23/64/92/922236492.db2.gz ZPGMYAWZEZRXHF-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379745786 922248961 /nfs/dbraw/zinc/24/89/61/922248961.db2.gz UDGOJKHPKZPZEY-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001379745786 922248974 /nfs/dbraw/zinc/24/89/74/922248974.db2.gz UDGOJKHPKZPZEY-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001379763483 922250540 /nfs/dbraw/zinc/25/05/40/922250540.db2.gz WFFDHNNTXZXJLY-NXEZZACHSA-N 2 1 315.374 -2.316 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001379763487 922252754 /nfs/dbraw/zinc/25/27/54/922252754.db2.gz WFFDHNNTXZXJLY-VHSXEESVSA-N 2 1 315.374 -2.316 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379759566 922253333 /nfs/dbraw/zinc/25/33/33/922253333.db2.gz POKDOMCEMZZXDJ-WDEREUQCSA-N 2 1 311.390 -1.787 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379759566 922253344 /nfs/dbraw/zinc/25/33/44/922253344.db2.gz POKDOMCEMZZXDJ-WDEREUQCSA-N 2 1 311.390 -1.787 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379815348 922268815 /nfs/dbraw/zinc/26/88/15/922268815.db2.gz OBGMKARTSFEEGL-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379820440 922272802 /nfs/dbraw/zinc/27/28/02/922272802.db2.gz FUJZLTNEDXOSCY-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379818452 922274254 /nfs/dbraw/zinc/27/42/54/922274254.db2.gz ACKYNTJODRLENO-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001379839694 922276122 /nfs/dbraw/zinc/27/61/22/922276122.db2.gz HSDKCWXDDFPNNJ-NWDGAFQWSA-N 2 1 316.402 -2.009 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001379862675 922282870 /nfs/dbraw/zinc/28/28/70/922282870.db2.gz PTRLVYFCWYNMTR-ZDUSSCGKSA-N 2 1 321.385 -1.071 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379861789 922283545 /nfs/dbraw/zinc/28/35/45/922283545.db2.gz GWFRFJBICPUALM-WDEREUQCSA-N 2 1 302.375 -2.399 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001379943407 922299412 /nfs/dbraw/zinc/29/94/12/922299412.db2.gz YDUGYFJYHLLWGW-GHMZBOCLSA-N 2 1 311.386 -1.383 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001379956002 922302409 /nfs/dbraw/zinc/30/24/09/922302409.db2.gz BPZUWIWBVJHQPL-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001379956002 922302429 /nfs/dbraw/zinc/30/24/29/922302429.db2.gz BPZUWIWBVJHQPL-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001379956002 922302447 /nfs/dbraw/zinc/30/24/47/922302447.db2.gz BPZUWIWBVJHQPL-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001379956002 922302459 /nfs/dbraw/zinc/30/24/59/922302459.db2.gz BPZUWIWBVJHQPL-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985319 922314945 /nfs/dbraw/zinc/31/49/45/922314945.db2.gz WUFWHELDXYTUHY-NEPJUHHUSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985319 922314963 /nfs/dbraw/zinc/31/49/63/922314963.db2.gz WUFWHELDXYTUHY-NEPJUHHUSA-N 2 1 312.414 -1.293 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001380174542 922337364 /nfs/dbraw/zinc/33/73/64/922337364.db2.gz ANQIWZRXFMOKTG-UHFFFAOYSA-N 2 1 322.369 -1.035 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380550520 922380957 /nfs/dbraw/zinc/38/09/57/922380957.db2.gz GYXYLNKQMVKWAW-CQSZACIVSA-N 2 1 300.403 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380550520 922380972 /nfs/dbraw/zinc/38/09/72/922380972.db2.gz GYXYLNKQMVKWAW-CQSZACIVSA-N 2 1 300.403 -1.421 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566110 922393616 /nfs/dbraw/zinc/39/36/16/922393616.db2.gz PGMIITBIRSYSOL-MLGOLLRUSA-N 2 1 324.425 -1.101 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380575361 922399743 /nfs/dbraw/zinc/39/97/43/922399743.db2.gz SDARFRFBUPKWDX-DOMZBBRYSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380575361 922399752 /nfs/dbraw/zinc/39/97/52/922399752.db2.gz SDARFRFBUPKWDX-DOMZBBRYSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380575361 922399765 /nfs/dbraw/zinc/39/97/65/922399765.db2.gz SDARFRFBUPKWDX-DOMZBBRYSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380575361 922399776 /nfs/dbraw/zinc/39/97/76/922399776.db2.gz SDARFRFBUPKWDX-DOMZBBRYSA-N 2 1 322.413 -1.180 20 0 DAADMP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001380761814 922451478 /nfs/dbraw/zinc/45/14/78/922451478.db2.gz HJYDXXOABVQYGQ-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001380774428 922458675 /nfs/dbraw/zinc/45/86/75/922458675.db2.gz PKQOCYARZOYMTH-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@@H+](CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)C1CCC1 ZINC001381039387 922493213 /nfs/dbraw/zinc/49/32/13/922493213.db2.gz AWEVCKGYGLDWMP-OAHLLOKOSA-N 2 1 312.414 -1.101 20 0 DAADMP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381039507 922493763 /nfs/dbraw/zinc/49/37/63/922493763.db2.gz BDXIGOOJDLGXDB-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001381042903 922494406 /nfs/dbraw/zinc/49/44/06/922494406.db2.gz ITPSDDFARUXPIN-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001381096303 922497221 /nfs/dbraw/zinc/49/72/21/922497221.db2.gz FIQMSXDHERCYFP-GXSJLCMTSA-N 2 1 322.369 -1.177 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001381096304 922498003 /nfs/dbraw/zinc/49/80/03/922498003.db2.gz FIQMSXDHERCYFP-KOLCDFICSA-N 2 1 322.369 -1.177 20 0 DAADMP C[C@@H](C(N)=O)N1CCC(CO)(NC(=O)[C@H]2CCCN2C)CC1 ZINC001381247550 922515649 /nfs/dbraw/zinc/51/56/49/922515649.db2.gz UICQUZFCNSKIMX-NWDGAFQWSA-N 2 1 312.414 -1.103 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001381409956 922526464 /nfs/dbraw/zinc/52/64/64/922526464.db2.gz OURSFKCMGNRVIF-UWVGGRQHSA-N 2 1 310.358 -1.131 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066726 922578639 /nfs/dbraw/zinc/57/86/39/922578639.db2.gz XRXCMDRKXJOOIK-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066726 922578648 /nfs/dbraw/zinc/57/86/48/922578648.db2.gz XRXCMDRKXJOOIK-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066743 922580535 /nfs/dbraw/zinc/58/05/35/922580535.db2.gz XRXCMDRKXJOOIK-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066743 922580550 /nfs/dbraw/zinc/58/05/50/922580550.db2.gz XRXCMDRKXJOOIK-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216235 922625413 /nfs/dbraw/zinc/62/54/13/922625413.db2.gz RMTSXGSRSUKQJA-GHMZBOCLSA-N 2 1 300.403 -1.328 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001382238602 922634179 /nfs/dbraw/zinc/63/41/79/922634179.db2.gz OCWFQKHQTIIIAO-STQMWFEESA-N 2 1 314.430 -1.079 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1 ZINC001382238594 922635826 /nfs/dbraw/zinc/63/58/26/922635826.db2.gz OCWFQKHQTIIIAO-QWHCGFSZSA-N 2 1 314.430 -1.079 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382266704 922650876 /nfs/dbraw/zinc/65/08/76/922650876.db2.gz MGOODYQIENMHPF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001382263571 922653339 /nfs/dbraw/zinc/65/33/39/922653339.db2.gz ZRNZATISZUWWNW-NWDGAFQWSA-N 2 1 316.402 -2.090 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001382263569 922653648 /nfs/dbraw/zinc/65/36/48/922653648.db2.gz ZRNZATISZUWWNW-NEPJUHHUSA-N 2 1 316.402 -2.090 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001382273604 922658339 /nfs/dbraw/zinc/65/83/39/922658339.db2.gz LRAXJIDVQDJJJA-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001382273623 922658571 /nfs/dbraw/zinc/65/85/71/922658571.db2.gz LRXSJPFGTPOAAU-RYUDHWBXSA-N 2 1 314.430 -1.081 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275442 922662798 /nfs/dbraw/zinc/66/27/98/922662798.db2.gz SYTOIRGZQWQVFP-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)CC[N@H+]1C ZINC001382404190 922727369 /nfs/dbraw/zinc/72/73/69/922727369.db2.gz ZWTCQGQPHLZSMG-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382438090 922750850 /nfs/dbraw/zinc/75/08/50/922750850.db2.gz DDCFSJNRWPFRHK-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382441038 922756251 /nfs/dbraw/zinc/75/62/51/922756251.db2.gz QAVKSUVIYQUYEE-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382441038 922756261 /nfs/dbraw/zinc/75/62/61/922756261.db2.gz QAVKSUVIYQUYEE-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382444908 922759231 /nfs/dbraw/zinc/75/92/31/922759231.db2.gz POGFGDJYENUZOE-YPMHNXCESA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382460442 922765953 /nfs/dbraw/zinc/76/59/53/922765953.db2.gz IEQGYQWYTVPSTF-FRRDWIJNSA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382460442 922765965 /nfs/dbraw/zinc/76/59/65/922765965.db2.gz IEQGYQWYTVPSTF-FRRDWIJNSA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382460442 922765982 /nfs/dbraw/zinc/76/59/82/922765982.db2.gz IEQGYQWYTVPSTF-FRRDWIJNSA-N 2 1 314.430 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382460442 922765999 /nfs/dbraw/zinc/76/59/99/922765999.db2.gz IEQGYQWYTVPSTF-FRRDWIJNSA-N 2 1 314.430 -1.176 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001387751817 923411258 /nfs/dbraw/zinc/41/12/58/923411258.db2.gz MQVWZFKDUYLUMK-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001387751817 923411269 /nfs/dbraw/zinc/41/12/69/923411269.db2.gz MQVWZFKDUYLUMK-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387751817 923411282 /nfs/dbraw/zinc/41/12/82/923411282.db2.gz MQVWZFKDUYLUMK-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387751817 923411293 /nfs/dbraw/zinc/41/12/93/923411293.db2.gz MQVWZFKDUYLUMK-STQMWFEESA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001387751815 923412057 /nfs/dbraw/zinc/41/20/57/923412057.db2.gz MQVWZFKDUYLUMK-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001387751815 923412071 /nfs/dbraw/zinc/41/20/71/923412071.db2.gz MQVWZFKDUYLUMK-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387751815 923412079 /nfs/dbraw/zinc/41/20/79/923412079.db2.gz MQVWZFKDUYLUMK-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1CC[NH+](C)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387751815 923412090 /nfs/dbraw/zinc/41/20/90/923412090.db2.gz MQVWZFKDUYLUMK-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001387924277 923442517 /nfs/dbraw/zinc/44/25/17/923442517.db2.gz AVIFUVSFIZTWDX-CYBMUJFWSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001387924277 923442531 /nfs/dbraw/zinc/44/25/31/923442531.db2.gz AVIFUVSFIZTWDX-CYBMUJFWSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389970096 923704667 /nfs/dbraw/zinc/70/46/67/923704667.db2.gz ZRGXSAWZDFBFID-AXFHLTTASA-N 2 1 311.386 -1.227 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](O)COC ZINC001390906199 923794313 /nfs/dbraw/zinc/79/43/13/923794313.db2.gz NOTCVWKITFLLMB-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@H](O)COC ZINC001390906199 923794328 /nfs/dbraw/zinc/79/43/28/923794328.db2.gz NOTCVWKITFLLMB-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](O)COC ZINC001390906199 923794333 /nfs/dbraw/zinc/79/43/33/923794333.db2.gz NOTCVWKITFLLMB-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](O)COC ZINC001390906199 923794344 /nfs/dbraw/zinc/79/43/44/923794344.db2.gz NOTCVWKITFLLMB-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391217901 923820217 /nfs/dbraw/zinc/82/02/17/923820217.db2.gz GKPUCTVUCWDAFW-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001391937776 923886390 /nfs/dbraw/zinc/88/63/90/923886390.db2.gz FWHPGCZZQRTIKI-LBPRGKRZSA-N 2 1 300.403 -1.203 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392100509 923935509 /nfs/dbraw/zinc/93/55/09/923935509.db2.gz NIBSPVHQXQJNKU-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001392135289 923941628 /nfs/dbraw/zinc/94/16/28/923941628.db2.gz SDKXNTHZQOTOFW-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392367316 923980346 /nfs/dbraw/zinc/98/03/46/923980346.db2.gz RSTHCUFUNXFMTN-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001392376826 923989111 /nfs/dbraw/zinc/98/91/11/923989111.db2.gz RADHILNUVROJCT-CHWSQXEVSA-N 2 1 312.414 -1.232 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392394284 924007238 /nfs/dbraw/zinc/00/72/38/924007238.db2.gz PCNANZJGAIZABC-AVGNSLFASA-N 2 1 314.430 -1.081 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392408423 924015087 /nfs/dbraw/zinc/01/50/87/924015087.db2.gz IQNRITSPVAYQAW-NEPJUHHUSA-N 2 1 314.386 -2.336 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392408432 924015705 /nfs/dbraw/zinc/01/57/05/924015705.db2.gz IQNRITSPVAYQAW-NWDGAFQWSA-N 2 1 314.386 -2.336 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001392407245 924016998 /nfs/dbraw/zinc/01/69/98/924016998.db2.gz HCVIEBQTYYNIFY-GHMZBOCLSA-N 2 1 302.375 -2.351 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392417062 924024310 /nfs/dbraw/zinc/02/43/10/924024310.db2.gz BXOXBXVFJHNLKD-QWRGUYRKSA-N 2 1 311.390 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392417062 924024324 /nfs/dbraw/zinc/02/43/24/924024324.db2.gz BXOXBXVFJHNLKD-QWRGUYRKSA-N 2 1 311.390 -1.881 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392427014 924026579 /nfs/dbraw/zinc/02/65/79/924026579.db2.gz SLRLKXQNPOQSJZ-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392531580 924044912 /nfs/dbraw/zinc/04/49/12/924044912.db2.gz VLWDQMAGXBURMF-SECBINFHSA-N 2 1 310.358 -1.259 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392715053 924068747 /nfs/dbraw/zinc/06/87/47/924068747.db2.gz CKGOZSMMSKBOBH-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392715053 924068759 /nfs/dbraw/zinc/06/87/59/924068759.db2.gz CKGOZSMMSKBOBH-JTQLQIEISA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766202 924075331 /nfs/dbraw/zinc/07/53/31/924075331.db2.gz INMSZMRLSYOFBA-GHMZBOCLSA-N 2 1 311.386 -1.240 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1 ZINC001392965243 924101999 /nfs/dbraw/zinc/10/19/99/924101999.db2.gz WPBOJVABLHFIMQ-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1 ZINC001392965243 924102011 /nfs/dbraw/zinc/10/20/11/924102011.db2.gz WPBOJVABLHFIMQ-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001393247207 924133823 /nfs/dbraw/zinc/13/38/23/924133823.db2.gz BIOKQHAEKOZZJZ-DZGCQCFKSA-N 2 1 314.430 -1.128 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001393247207 924133828 /nfs/dbraw/zinc/13/38/28/924133828.db2.gz BIOKQHAEKOZZJZ-DZGCQCFKSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393271907 924144072 /nfs/dbraw/zinc/14/40/72/924144072.db2.gz HOOCNMXVGLADER-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278207 924147672 /nfs/dbraw/zinc/14/76/72/924147672.db2.gz RDXUFEOONIOPPU-WFASDCNBSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277031 924149080 /nfs/dbraw/zinc/14/90/80/924149080.db2.gz AFKHGTNAVILBRV-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278192 924149964 /nfs/dbraw/zinc/14/99/64/924149964.db2.gz RDXUFEOONIOPPU-IUODEOHRSA-N 2 1 314.430 -1.032 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393283878 924154962 /nfs/dbraw/zinc/15/49/62/924154962.db2.gz TVVYMRJYOUBZHY-DZGCQCFKSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393283878 924154972 /nfs/dbraw/zinc/15/49/72/924154972.db2.gz TVVYMRJYOUBZHY-DZGCQCFKSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393283878 924154978 /nfs/dbraw/zinc/15/49/78/924154978.db2.gz TVVYMRJYOUBZHY-DZGCQCFKSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393283881 924156897 /nfs/dbraw/zinc/15/68/97/924156897.db2.gz TVVYMRJYOUBZHY-HIFRSBDPSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393283881 924156903 /nfs/dbraw/zinc/15/69/03/924156903.db2.gz TVVYMRJYOUBZHY-HIFRSBDPSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393283881 924156909 /nfs/dbraw/zinc/15/69/09/924156909.db2.gz TVVYMRJYOUBZHY-HIFRSBDPSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393283885 924157195 /nfs/dbraw/zinc/15/71/95/924157195.db2.gz TVVYMRJYOUBZHY-ZFWWWQNUSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393283885 924157200 /nfs/dbraw/zinc/15/72/00/924157200.db2.gz TVVYMRJYOUBZHY-ZFWWWQNUSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393283885 924157207 /nfs/dbraw/zinc/15/72/07/924157207.db2.gz TVVYMRJYOUBZHY-ZFWWWQNUSA-N 2 1 317.430 -1.113 20 0 DAADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001393452033 924204319 /nfs/dbraw/zinc/20/43/19/924204319.db2.gz BPSSWVBFTWLAOU-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001393452033 924204329 /nfs/dbraw/zinc/20/43/29/924204329.db2.gz BPSSWVBFTWLAOU-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001393453521 924206961 /nfs/dbraw/zinc/20/69/61/924206961.db2.gz HGSSFLBZSLUQFW-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393457127 924209488 /nfs/dbraw/zinc/20/94/88/924209488.db2.gz VJQOLCROEYIUGJ-UKRRQHHQSA-N 2 1 317.430 -1.112 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001393458044 924211236 /nfs/dbraw/zinc/21/12/36/924211236.db2.gz FFZWYDMHJPNJET-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001393469722 924213422 /nfs/dbraw/zinc/21/34/22/924213422.db2.gz ZPAWESRNMUBPNA-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001393583597 924230584 /nfs/dbraw/zinc/23/05/84/924230584.db2.gz KCGJKAFMEZYKPX-GFCCVEGCSA-N 2 1 314.386 -1.989 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001393850827 924264705 /nfs/dbraw/zinc/26/47/05/924264705.db2.gz ABJHMNFEZJBTER-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001393850827 924264712 /nfs/dbraw/zinc/26/47/12/924264712.db2.gz ABJHMNFEZJBTER-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115213 924281100 /nfs/dbraw/zinc/28/11/00/924281100.db2.gz UCLIJPPHGSJMCZ-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115213 924281112 /nfs/dbraw/zinc/28/11/12/924281112.db2.gz UCLIJPPHGSJMCZ-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394115213 924281118 /nfs/dbraw/zinc/28/11/18/924281118.db2.gz UCLIJPPHGSJMCZ-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394115213 924281126 /nfs/dbraw/zinc/28/11/26/924281126.db2.gz UCLIJPPHGSJMCZ-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115216 924281537 /nfs/dbraw/zinc/28/15/37/924281537.db2.gz UCLIJPPHGSJMCZ-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394115216 924281545 /nfs/dbraw/zinc/28/15/45/924281545.db2.gz UCLIJPPHGSJMCZ-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394115216 924281552 /nfs/dbraw/zinc/28/15/52/924281552.db2.gz UCLIJPPHGSJMCZ-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394115216 924281561 /nfs/dbraw/zinc/28/15/61/924281561.db2.gz UCLIJPPHGSJMCZ-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121200 924281681 /nfs/dbraw/zinc/28/16/81/924281681.db2.gz FURKHUHMESRKLT-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121200 924281691 /nfs/dbraw/zinc/28/16/91/924281691.db2.gz FURKHUHMESRKLT-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394121200 924281702 /nfs/dbraw/zinc/28/17/02/924281702.db2.gz FURKHUHMESRKLT-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394121200 924281711 /nfs/dbraw/zinc/28/17/11/924281711.db2.gz FURKHUHMESRKLT-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001394136071 924283929 /nfs/dbraw/zinc/28/39/29/924283929.db2.gz MKCAPOBZZFFVKM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001394136071 924283936 /nfs/dbraw/zinc/28/39/36/924283936.db2.gz MKCAPOBZZFFVKM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394136071 924283940 /nfs/dbraw/zinc/28/39/40/924283940.db2.gz MKCAPOBZZFFVKM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394136071 924283946 /nfs/dbraw/zinc/28/39/46/924283946.db2.gz MKCAPOBZZFFVKM-MNOVXSKESA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001394256770 924293603 /nfs/dbraw/zinc/29/36/03/924293603.db2.gz WVZVDVFMMORRET-ZJUUUORDSA-N 2 1 313.402 -1.042 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001394372923 924300511 /nfs/dbraw/zinc/30/05/11/924300511.db2.gz YZIXTYJLQXJJQI-FDYHWXHSSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001394372923 924300519 /nfs/dbraw/zinc/30/05/19/924300519.db2.gz YZIXTYJLQXJJQI-FDYHWXHSSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463463 924303692 /nfs/dbraw/zinc/30/36/92/924303692.db2.gz OCSXXQPPQOCYKF-NWDGAFQWSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463463 924303697 /nfs/dbraw/zinc/30/36/97/924303697.db2.gz OCSXXQPPQOCYKF-NWDGAFQWSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463467 924304172 /nfs/dbraw/zinc/30/41/72/924304172.db2.gz OCSXXQPPQOCYKF-RYUDHWBXSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463467 924304176 /nfs/dbraw/zinc/30/41/76/924304176.db2.gz OCSXXQPPQOCYKF-RYUDHWBXSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463459 924305349 /nfs/dbraw/zinc/30/53/49/924305349.db2.gz OCSXXQPPQOCYKF-NEPJUHHUSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463459 924305357 /nfs/dbraw/zinc/30/53/57/924305357.db2.gz OCSXXQPPQOCYKF-NEPJUHHUSA-N 2 1 321.443 -1.202 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571547 924312066 /nfs/dbraw/zinc/31/20/66/924312066.db2.gz LIACVJHVXSKUIV-NEPJUHHUSA-N 2 1 312.374 -2.325 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571547 924312074 /nfs/dbraw/zinc/31/20/74/924312074.db2.gz LIACVJHVXSKUIV-NEPJUHHUSA-N 2 1 312.374 -2.325 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001394575354 924312832 /nfs/dbraw/zinc/31/28/32/924312832.db2.gz FZFJJTQKKSATSV-DGCLKSJQSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001394575354 924312841 /nfs/dbraw/zinc/31/28/41/924312841.db2.gz FZFJJTQKKSATSV-DGCLKSJQSA-N 2 1 310.402 -1.041 20 0 DAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001394590369 924328416 /nfs/dbraw/zinc/32/84/16/924328416.db2.gz IURMFQWCNNQNRA-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001394590369 924328422 /nfs/dbraw/zinc/32/84/22/924328422.db2.gz IURMFQWCNNQNRA-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001394606063 924332968 /nfs/dbraw/zinc/33/29/68/924332968.db2.gz PEIFWPMYCSUYHG-CHWSQXEVSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632751 924346631 /nfs/dbraw/zinc/34/66/31/924346631.db2.gz HQCCITIDAGJJPK-AAEUAGOBSA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632751 924346638 /nfs/dbraw/zinc/34/66/38/924346638.db2.gz HQCCITIDAGJJPK-AAEUAGOBSA-N 2 1 312.414 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001394657049 924356907 /nfs/dbraw/zinc/35/69/07/924356907.db2.gz NWSUNOLHEQQNQN-QWRGUYRKSA-N 2 1 307.416 -1.951 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001394657047 924357529 /nfs/dbraw/zinc/35/75/29/924357529.db2.gz NWSUNOLHEQQNQN-GHMZBOCLSA-N 2 1 307.416 -1.951 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001394733504 924367585 /nfs/dbraw/zinc/36/75/85/924367585.db2.gz VISGSIVGKZIQMD-NWDGAFQWSA-N 2 1 300.403 -1.422 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786350 924388041 /nfs/dbraw/zinc/38/80/41/924388041.db2.gz RYOOINPSWWMHTC-YPMHNXCESA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394786350 924388044 /nfs/dbraw/zinc/38/80/44/924388044.db2.gz RYOOINPSWWMHTC-YPMHNXCESA-N 2 1 314.430 -1.047 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796420 924393988 /nfs/dbraw/zinc/39/39/88/924393988.db2.gz ZADBKDSNLHRSAL-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001395733992 924454010 /nfs/dbraw/zinc/45/40/10/924454010.db2.gz DMPSADHQWZRPQG-QWHCGFSZSA-N 2 1 324.425 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001395733980 924455009 /nfs/dbraw/zinc/45/50/09/924455009.db2.gz DMPSADHQWZRPQG-CHWSQXEVSA-N 2 1 324.425 -1.373 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395737753 924456779 /nfs/dbraw/zinc/45/67/79/924456779.db2.gz QBJYYRWYLAIWQM-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001396377476 924515589 /nfs/dbraw/zinc/51/55/89/924515589.db2.gz RJFDBFNDGJCGQQ-CHWSQXEVSA-N 2 1 323.397 -1.169 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001396428594 924523615 /nfs/dbraw/zinc/52/36/15/924523615.db2.gz CFIYRSJQKRGRTK-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001397112520 924556444 /nfs/dbraw/zinc/55/64/44/924556444.db2.gz IXYXLSNSSWJKRI-LPWJVIDDSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001397112520 924556449 /nfs/dbraw/zinc/55/64/49/924556449.db2.gz IXYXLSNSSWJKRI-LPWJVIDDSA-N 2 1 312.414 -1.064 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001397100530 924556597 /nfs/dbraw/zinc/55/65/97/924556597.db2.gz RVNFXEPHJYNCET-MXWKQRLJSA-N 2 1 311.386 -1.383 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001397204341 924563753 /nfs/dbraw/zinc/56/37/53/924563753.db2.gz ADJPCKLWFZBZRE-UONOGXRCSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001397204341 924563755 /nfs/dbraw/zinc/56/37/55/924563755.db2.gz ADJPCKLWFZBZRE-UONOGXRCSA-N 2 1 315.414 -1.405 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397612461 924592533 /nfs/dbraw/zinc/59/25/33/924592533.db2.gz JCOLUOVOHPHBHR-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397612461 924592538 /nfs/dbraw/zinc/59/25/38/924592538.db2.gz JCOLUOVOHPHBHR-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC[NH+](C)C ZINC001397890669 924608854 /nfs/dbraw/zinc/60/88/54/924608854.db2.gz VJQXJLHKXADRIU-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC[NH+](C)C ZINC001397890669 924608858 /nfs/dbraw/zinc/60/88/58/924608858.db2.gz VJQXJLHKXADRIU-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398548546 924648439 /nfs/dbraw/zinc/64/84/39/924648439.db2.gz SYUWRCYOMWZFAH-MGCOHNPYSA-N 2 1 308.342 -1.377 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001398659865 924661863 /nfs/dbraw/zinc/66/18/63/924661863.db2.gz FLFGJXWRVGCCMS-PHIMTYICSA-N 2 1 322.369 -1.116 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001398747871 924667682 /nfs/dbraw/zinc/66/76/82/924667682.db2.gz YQAXRQKYLPKABW-ZDUSSCGKSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001398747871 924667689 /nfs/dbraw/zinc/66/76/89/924667689.db2.gz YQAXRQKYLPKABW-ZDUSSCGKSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401262480 924853610 /nfs/dbraw/zinc/85/36/10/924853610.db2.gz SJBJMMVDNUOCSM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401262477 924853792 /nfs/dbraw/zinc/85/37/92/924853792.db2.gz SJBJMMVDNUOCSM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353028 924857666 /nfs/dbraw/zinc/85/76/66/924857666.db2.gz RTFLGOHKJCTNSX-RYUDHWBXSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353028 924857676 /nfs/dbraw/zinc/85/76/76/924857676.db2.gz RTFLGOHKJCTNSX-RYUDHWBXSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353034 924859173 /nfs/dbraw/zinc/85/91/73/924859173.db2.gz RTFLGOHKJCTNSX-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353034 924859181 /nfs/dbraw/zinc/85/91/81/924859181.db2.gz RTFLGOHKJCTNSX-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353016 924859373 /nfs/dbraw/zinc/85/93/73/924859373.db2.gz RTFLGOHKJCTNSX-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C)C1 ZINC001401353016 924859381 /nfs/dbraw/zinc/85/93/81/924859381.db2.gz RTFLGOHKJCTNSX-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001401546176 924882298 /nfs/dbraw/zinc/88/22/98/924882298.db2.gz HYENDVREPATLDE-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555589 924887532 /nfs/dbraw/zinc/88/75/32/924887532.db2.gz LSZIZESTPQCBIY-QWRGUYRKSA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555589 924887542 /nfs/dbraw/zinc/88/75/42/924887542.db2.gz LSZIZESTPQCBIY-QWRGUYRKSA-N 2 1 311.390 -1.881 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001401563088 924893371 /nfs/dbraw/zinc/89/33/71/924893371.db2.gz VMHHJXMEZIUNOL-HZMBPMFUSA-N 2 1 318.393 -1.249 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401562060 924893472 /nfs/dbraw/zinc/89/34/72/924893472.db2.gz TZWZQGIFXUHRIG-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001401591941 924904163 /nfs/dbraw/zinc/90/41/63/924904163.db2.gz VXMVXSLCHYUBHU-RYUDHWBXSA-N 2 1 300.403 -1.328 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275697 924960637 /nfs/dbraw/zinc/96/06/37/924960637.db2.gz RZTCQVXCLATKMD-SMDDNHRTSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275697 924960640 /nfs/dbraw/zinc/96/06/40/924960640.db2.gz RZTCQVXCLATKMD-SMDDNHRTSA-N 2 1 312.414 -1.103 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402288781 924965683 /nfs/dbraw/zinc/96/56/83/924965683.db2.gz LASWCYMOOVYKMG-WFASDCNBSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402288781 924965691 /nfs/dbraw/zinc/96/56/91/924965691.db2.gz LASWCYMOOVYKMG-WFASDCNBSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402288781 924965697 /nfs/dbraw/zinc/96/56/97/924965697.db2.gz LASWCYMOOVYKMG-WFASDCNBSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402288781 924965702 /nfs/dbraw/zinc/96/57/02/924965702.db2.gz LASWCYMOOVYKMG-WFASDCNBSA-N 2 1 312.414 -1.421 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402300885 924968465 /nfs/dbraw/zinc/96/84/65/924968465.db2.gz WAGGWLSVRNXSTP-OAHLLOKOSA-N 2 1 312.414 -1.277 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402300885 924968471 /nfs/dbraw/zinc/96/84/71/924968471.db2.gz WAGGWLSVRNXSTP-OAHLLOKOSA-N 2 1 312.414 -1.277 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001402309056 924970514 /nfs/dbraw/zinc/97/05/14/924970514.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP CCN1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001402309056 924970522 /nfs/dbraw/zinc/97/05/22/924970522.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313473 924973926 /nfs/dbraw/zinc/97/39/26/924973926.db2.gz JQIREVCTKGISLH-IAQYHMDHSA-N 2 1 310.398 -1.491 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313473 924973933 /nfs/dbraw/zinc/97/39/33/924973933.db2.gz JQIREVCTKGISLH-IAQYHMDHSA-N 2 1 310.398 -1.491 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001402732455 925024585 /nfs/dbraw/zinc/02/45/85/925024585.db2.gz MVDMNZNUBHDUKW-OAHLLOKOSA-N 2 1 315.414 -1.356 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001402753638 925028071 /nfs/dbraw/zinc/02/80/71/925028071.db2.gz XDTVZDOBZPMTMQ-UHFFFAOYSA-N 2 1 309.370 -1.068 20 0 DAADMP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001402791221 925028723 /nfs/dbraw/zinc/02/87/23/925028723.db2.gz ATLSLJVHJBKILI-NWDGAFQWSA-N 2 1 312.414 -1.103 20 0 DAADMP C[N@@H+](CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001402808131 925031726 /nfs/dbraw/zinc/03/17/26/925031726.db2.gz ODCLZQGSLANLDH-UHFFFAOYSA-N 2 1 312.414 -1.101 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001402857998 925033740 /nfs/dbraw/zinc/03/37/40/925033740.db2.gz BSJCZLRBRTXRAI-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001402857998 925033745 /nfs/dbraw/zinc/03/37/45/925033745.db2.gz BSJCZLRBRTXRAI-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402875098 925036277 /nfs/dbraw/zinc/03/62/77/925036277.db2.gz XUOIMFPKDHLTEG-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402875098 925036285 /nfs/dbraw/zinc/03/62/85/925036285.db2.gz XUOIMFPKDHLTEG-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001402894999 925039482 /nfs/dbraw/zinc/03/94/82/925039482.db2.gz QEDVFJODOVLRBI-GFCCVEGCSA-N 2 1 324.425 -1.101 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360637 925074551 /nfs/dbraw/zinc/07/45/51/925074551.db2.gz OEELJDDONFHQGT-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001403360637 925074560 /nfs/dbraw/zinc/07/45/60/925074560.db2.gz OEELJDDONFHQGT-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)CCNS(C)(=O)=O ZINC001403508246 925081836 /nfs/dbraw/zinc/08/18/36/925081836.db2.gz RACVTUJVBBXLMZ-NSHDSACASA-N 2 1 306.432 -1.322 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001403723892 925130062 /nfs/dbraw/zinc/13/00/62/925130062.db2.gz JNIKZLCYUBDKOI-VHSXEESVSA-N 2 1 315.374 -2.410 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001403723894 925131087 /nfs/dbraw/zinc/13/10/87/925131087.db2.gz JNIKZLCYUBDKOI-ZJUUUORDSA-N 2 1 315.374 -2.410 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)C1 ZINC001403751503 925136699 /nfs/dbraw/zinc/13/66/99/925136699.db2.gz QVYOAYUVSPTTMM-OLZOCXBDSA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001403852960 925153695 /nfs/dbraw/zinc/15/36/95/925153695.db2.gz RTWRYOCJMZBJCL-ZDUSSCGKSA-N 2 1 321.385 -1.071 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001403883843 925162194 /nfs/dbraw/zinc/16/21/94/925162194.db2.gz PLVBSZBLEAACLS-LBPRGKRZSA-N 2 1 302.419 -1.176 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891257 925163724 /nfs/dbraw/zinc/16/37/24/925163724.db2.gz BVBXGMDQQDTCGQ-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001403909581 925171478 /nfs/dbraw/zinc/17/14/78/925171478.db2.gz PCOJSHWHHBXGLM-WCQYABFASA-N 2 1 302.419 -1.191 20 0 DAADMP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001403909581 925171481 /nfs/dbraw/zinc/17/14/81/925171481.db2.gz PCOJSHWHHBXGLM-WCQYABFASA-N 2 1 302.419 -1.191 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001405085012 925237442 /nfs/dbraw/zinc/23/74/42/925237442.db2.gz TZPJRGXGNVELLE-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001405085012 925237451 /nfs/dbraw/zinc/23/74/51/925237451.db2.gz TZPJRGXGNVELLE-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C[C@H](O)COC)C2)C1 ZINC001405085012 925237457 /nfs/dbraw/zinc/23/74/57/925237457.db2.gz TZPJRGXGNVELLE-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001405085012 925237466 /nfs/dbraw/zinc/23/74/66/925237466.db2.gz TZPJRGXGNVELLE-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001405291979 925280051 /nfs/dbraw/zinc/28/00/51/925280051.db2.gz WMNKDLAUBTYIPI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405291979 925280062 /nfs/dbraw/zinc/28/00/62/925280062.db2.gz WMNKDLAUBTYIPI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405291979 925280071 /nfs/dbraw/zinc/28/00/71/925280071.db2.gz WMNKDLAUBTYIPI-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405334718 925289623 /nfs/dbraw/zinc/28/96/23/925289623.db2.gz LMPIMIFNNNZOIH-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001406234743 925367889 /nfs/dbraw/zinc/36/78/89/925367889.db2.gz HRSFIUAMHKXSGJ-NSHDSACASA-N 2 1 310.402 -1.134 20 0 DAADMP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406241678 925371493 /nfs/dbraw/zinc/37/14/93/925371493.db2.gz BMUVGIVOAFAUKC-VHSXEESVSA-N 2 1 300.359 -1.203 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001406252559 925376274 /nfs/dbraw/zinc/37/62/74/925376274.db2.gz XUCRRZPMUVPQFB-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001406254657 925378695 /nfs/dbraw/zinc/37/86/95/925378695.db2.gz KLUBKPBVOCTGDS-NWDGAFQWSA-N 2 1 300.403 -1.328 20 0 DAADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406254112 925379879 /nfs/dbraw/zinc/37/98/79/925379879.db2.gz MTPBUGGENQRIQU-VXGBXAGGSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406284177 925395573 /nfs/dbraw/zinc/39/55/73/925395573.db2.gz JXZQMMNUQONPGP-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289648 925397177 /nfs/dbraw/zinc/39/71/77/925397177.db2.gz ONRAQYNBZCQXBS-WDEREUQCSA-N 2 1 302.375 -2.480 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289648 925397184 /nfs/dbraw/zinc/39/71/84/925397184.db2.gz ONRAQYNBZCQXBS-WDEREUQCSA-N 2 1 302.375 -2.480 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001406298949 925401979 /nfs/dbraw/zinc/40/19/79/925401979.db2.gz YAJNRODHXHRKPW-DGCLKSJQSA-N 2 1 312.418 -1.032 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406399563 925413562 /nfs/dbraw/zinc/41/35/62/925413562.db2.gz LPJMQHACXILUGQ-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CC[NH+]1CCOCC1 ZINC001406410152 925414374 /nfs/dbraw/zinc/41/43/74/925414374.db2.gz RUJVNKDHHZNYPS-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001406693607 925428106 /nfs/dbraw/zinc/42/81/06/925428106.db2.gz MQUBUBXULULJJO-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001406693607 925428110 /nfs/dbraw/zinc/42/81/10/925428110.db2.gz MQUBUBXULULJJO-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406693607 925428114 /nfs/dbraw/zinc/42/81/14/925428114.db2.gz MQUBUBXULULJJO-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406693607 925428118 /nfs/dbraw/zinc/42/81/18/925428118.db2.gz MQUBUBXULULJJO-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406681950 925428533 /nfs/dbraw/zinc/42/85/33/925428533.db2.gz UVCDXMLNAWINNN-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406681950 925428538 /nfs/dbraw/zinc/42/85/38/925428538.db2.gz UVCDXMLNAWINNN-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406681950 925428544 /nfs/dbraw/zinc/42/85/44/925428544.db2.gz UVCDXMLNAWINNN-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406681950 925428550 /nfs/dbraw/zinc/42/85/50/925428550.db2.gz UVCDXMLNAWINNN-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407227662 925460267 /nfs/dbraw/zinc/46/02/67/925460267.db2.gz HXLDIQGWKWHYAZ-DOMZBBRYSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407227662 925460273 /nfs/dbraw/zinc/46/02/73/925460273.db2.gz HXLDIQGWKWHYAZ-DOMZBBRYSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001407361952 925470712 /nfs/dbraw/zinc/47/07/12/925470712.db2.gz FILHVIMTVWSJAW-SMDDNHRTSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001407361952 925470719 /nfs/dbraw/zinc/47/07/19/925470719.db2.gz FILHVIMTVWSJAW-SMDDNHRTSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380312 925474539 /nfs/dbraw/zinc/47/45/39/925474539.db2.gz DVADEELFIVADMR-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380312 925474551 /nfs/dbraw/zinc/47/45/51/925474551.db2.gz DVADEELFIVADMR-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380312 925474558 /nfs/dbraw/zinc/47/45/58/925474558.db2.gz DVADEELFIVADMR-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380312 925474564 /nfs/dbraw/zinc/47/45/64/925474564.db2.gz DVADEELFIVADMR-LRDDRELGSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001409102956 925614023 /nfs/dbraw/zinc/61/40/23/925614023.db2.gz NFUCRZXQZHSKEL-UHFFFAOYSA-N 2 1 312.414 -1.013 20 0 DAADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC(=O)NC(N)=O ZINC001409627537 925640376 /nfs/dbraw/zinc/64/03/76/925640376.db2.gz OCUOXPHRUMQWAX-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409627537 925640381 /nfs/dbraw/zinc/64/03/81/925640381.db2.gz OCUOXPHRUMQWAX-SNVBAGLBSA-N 2 1 313.402 -1.040 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410129009 925690781 /nfs/dbraw/zinc/69/07/81/925690781.db2.gz LWPDMGLYKLRWAK-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775848 925777356 /nfs/dbraw/zinc/77/73/56/925777356.db2.gz AJZZRDWDOVXIAY-VXGBXAGGSA-N 2 1 312.414 -1.374 20 0 DAADMP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410781490 925779826 /nfs/dbraw/zinc/77/98/26/925779826.db2.gz FIUBMXFGCPTAQC-QWHCGFSZSA-N 2 1 309.414 -1.019 20 0 DAADMP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410781506 925780450 /nfs/dbraw/zinc/78/04/50/925780450.db2.gz FIUBMXFGCPTAQC-STQMWFEESA-N 2 1 309.414 -1.019 20 0 DAADMP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001411044810 925804136 /nfs/dbraw/zinc/80/41/36/925804136.db2.gz PSOSSPLLFVPSQK-STQMWFEESA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001411044807 925804255 /nfs/dbraw/zinc/80/42/55/925804255.db2.gz PSOSSPLLFVPSQK-QWHCGFSZSA-N 2 1 312.414 -1.232 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411084598 925809600 /nfs/dbraw/zinc/80/96/00/925809600.db2.gz FLKMIGNSOMEYLG-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001411129613 925815502 /nfs/dbraw/zinc/81/55/02/925815502.db2.gz RTXBJBXYILOQRR-RYUDHWBXSA-N 2 1 310.402 -1.026 20 0 DAADMP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129613 925815510 /nfs/dbraw/zinc/81/55/10/925815510.db2.gz RTXBJBXYILOQRR-RYUDHWBXSA-N 2 1 310.402 -1.026 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411131039 925816084 /nfs/dbraw/zinc/81/60/84/925816084.db2.gz AALCFRUSQADCIX-RYUDHWBXSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411131039 925816092 /nfs/dbraw/zinc/81/60/92/925816092.db2.gz AALCFRUSQADCIX-RYUDHWBXSA-N 2 1 310.402 -1.324 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411147934 925819825 /nfs/dbraw/zinc/81/98/25/925819825.db2.gz ULIMSZBQJLEIMS-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177643 925826502 /nfs/dbraw/zinc/82/65/02/925826502.db2.gz DBPZLRKZWAMTMX-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190830 925831253 /nfs/dbraw/zinc/83/12/53/925831253.db2.gz NOAAAPOWLLYPGU-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413271184 926026919 /nfs/dbraw/zinc/02/69/19/926026919.db2.gz SFDZGSAAKMHWNE-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001413977473 926092880 /nfs/dbraw/zinc/09/28/80/926092880.db2.gz KROXRYZPZFKCMO-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)CN1CC[NH+](C)CC1 ZINC001414078124 926105751 /nfs/dbraw/zinc/10/57/51/926105751.db2.gz SPWRFVQJVZUHMN-LBPRGKRZSA-N 2 1 309.418 -1.264 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001415504252 926187896 /nfs/dbraw/zinc/18/78/96/926187896.db2.gz XSDXRCBJTFIMOX-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001415504252 926187900 /nfs/dbraw/zinc/18/79/00/926187900.db2.gz XSDXRCBJTFIMOX-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415504252 926187905 /nfs/dbraw/zinc/18/79/05/926187905.db2.gz XSDXRCBJTFIMOX-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415504252 926187908 /nfs/dbraw/zinc/18/79/08/926187908.db2.gz XSDXRCBJTFIMOX-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416798469 926276658 /nfs/dbraw/zinc/27/66/58/926276658.db2.gz SRSWHSUKCGPBRY-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416798469 926276661 /nfs/dbraw/zinc/27/66/61/926276661.db2.gz SRSWHSUKCGPBRY-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317076 926380782 /nfs/dbraw/zinc/38/07/82/926380782.db2.gz YDMITFIKACKNRQ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317076 926380789 /nfs/dbraw/zinc/38/07/89/926380789.db2.gz YDMITFIKACKNRQ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317077 926381861 /nfs/dbraw/zinc/38/18/61/926381861.db2.gz YDMITFIKACKNRQ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317077 926381869 /nfs/dbraw/zinc/38/18/69/926381869.db2.gz YDMITFIKACKNRQ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418615993 926409926 /nfs/dbraw/zinc/40/99/26/926409926.db2.gz IXYXLSNSSWJKRI-NDBYEHHHSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418615993 926409932 /nfs/dbraw/zinc/40/99/32/926409932.db2.gz IXYXLSNSSWJKRI-NDBYEHHHSA-N 2 1 312.414 -1.064 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799396 926424863 /nfs/dbraw/zinc/42/48/63/926424863.db2.gz WZYXKLGXDXWXKU-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799396 926424868 /nfs/dbraw/zinc/42/48/68/926424868.db2.gz WZYXKLGXDXWXKU-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799396 926424874 /nfs/dbraw/zinc/42/48/74/926424874.db2.gz WZYXKLGXDXWXKU-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799396 926424878 /nfs/dbraw/zinc/42/48/78/926424878.db2.gz WZYXKLGXDXWXKU-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001419478658 926480439 /nfs/dbraw/zinc/48/04/39/926480439.db2.gz YSGAOEDOOJEFKY-CHWFTXMASA-N 2 1 311.386 -1.242 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721423 926496407 /nfs/dbraw/zinc/49/64/07/926496407.db2.gz UQLLQLXKELUJJP-DTWKUNHWSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721423 926496411 /nfs/dbraw/zinc/49/64/11/926496411.db2.gz UQLLQLXKELUJJP-DTWKUNHWSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001419883357 926505812 /nfs/dbraw/zinc/50/58/12/926505812.db2.gz WIYBWVKOHVUDJK-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420011809 926515420 /nfs/dbraw/zinc/51/54/20/926515420.db2.gz WAGXMPMDSVSTBQ-JTQLQIEISA-N 2 1 301.391 -1.088 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420011809 926515424 /nfs/dbraw/zinc/51/54/24/926515424.db2.gz WAGXMPMDSVSTBQ-JTQLQIEISA-N 2 1 301.391 -1.088 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001420020320 926517353 /nfs/dbraw/zinc/51/73/53/926517353.db2.gz UUSHARVBASARRX-QWRGUYRKSA-N 2 1 311.386 -1.429 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420078859 926519734 /nfs/dbraw/zinc/51/97/34/926519734.db2.gz PHXAJKSYJKQXMV-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420078859 926519738 /nfs/dbraw/zinc/51/97/38/926519738.db2.gz PHXAJKSYJKQXMV-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107637 926524863 /nfs/dbraw/zinc/52/48/63/926524863.db2.gz JPTNWHWSPNMBLE-ZIAGYGMSSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)C1 ZINC001420107637 926524868 /nfs/dbraw/zinc/52/48/68/926524868.db2.gz JPTNWHWSPNMBLE-ZIAGYGMSSA-N 2 1 308.382 -1.021 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420138629 926540314 /nfs/dbraw/zinc/54/03/14/926540314.db2.gz LWORUSBRGTUGPT-JQWIXIFHSA-N 2 1 300.403 -1.328 20 0 DAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC2 ZINC001420156049 926546996 /nfs/dbraw/zinc/54/69/96/926546996.db2.gz PBUHYHBWELJZKO-ZYHUDNBSSA-N 2 1 309.370 -1.694 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420177854 926553794 /nfs/dbraw/zinc/55/37/94/926553794.db2.gz YEBLLTGCQQTNJA-WCQYABFASA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420177855 926554307 /nfs/dbraw/zinc/55/43/07/926554307.db2.gz YEBLLTGCQQTNJA-YPMHNXCESA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420177852 926554578 /nfs/dbraw/zinc/55/45/78/926554578.db2.gz YEBLLTGCQQTNJA-AAEUAGOBSA-N 2 1 312.414 -1.327 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420192860 926557748 /nfs/dbraw/zinc/55/77/48/926557748.db2.gz RSRWDHBMAIMYEO-VXGBXAGGSA-N 2 1 300.403 -1.471 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001420193708 926560916 /nfs/dbraw/zinc/56/09/16/926560916.db2.gz KFVNUCFITLDJMF-WDEREUQCSA-N 2 1 323.401 -1.566 20 0 DAADMP CN1CCO[C@H](C(=O)NCC[N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001420195803 926561551 /nfs/dbraw/zinc/56/15/51/926561551.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CCO[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001420195803 926561558 /nfs/dbraw/zinc/56/15/58/926561558.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CCO[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001420195792 926561597 /nfs/dbraw/zinc/56/15/97/926561597.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001420195792 926561604 /nfs/dbraw/zinc/56/16/04/926561604.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001420266531 926571939 /nfs/dbraw/zinc/57/19/39/926571939.db2.gz NSQHUZXXFIDLDL-YPMHNXCESA-N 2 1 323.397 -1.075 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334434 926583275 /nfs/dbraw/zinc/58/32/75/926583275.db2.gz QBULACICCFXNIZ-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334434 926583280 /nfs/dbraw/zinc/58/32/80/926583280.db2.gz QBULACICCFXNIZ-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001420736416 926612193 /nfs/dbraw/zinc/61/21/93/926612193.db2.gz APYUYJJFJSCICB-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001420736416 926612203 /nfs/dbraw/zinc/61/22/03/926612203.db2.gz APYUYJJFJSCICB-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001421342456 926668437 /nfs/dbraw/zinc/66/84/37/926668437.db2.gz UNXFGGXIQJVVQC-DZGCQCFKSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342456 926668445 /nfs/dbraw/zinc/66/84/45/926668445.db2.gz UNXFGGXIQJVVQC-DZGCQCFKSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342456 926668449 /nfs/dbraw/zinc/66/84/49/926668449.db2.gz UNXFGGXIQJVVQC-DZGCQCFKSA-N 2 1 322.413 -1.075 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001421342461 926669040 /nfs/dbraw/zinc/66/90/40/926669040.db2.gz UNXFGGXIQJVVQC-ZFWWWQNUSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342461 926669048 /nfs/dbraw/zinc/66/90/48/926669048.db2.gz UNXFGGXIQJVVQC-ZFWWWQNUSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342461 926669054 /nfs/dbraw/zinc/66/90/54/926669054.db2.gz UNXFGGXIQJVVQC-ZFWWWQNUSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC(OCC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001421377796 926679194 /nfs/dbraw/zinc/67/91/94/926679194.db2.gz AVUIAVYXCUXIHV-HNNXBMFYSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379743 926679311 /nfs/dbraw/zinc/67/93/11/926679311.db2.gz TYEXPGHXULOFFM-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379743 926679323 /nfs/dbraw/zinc/67/93/23/926679323.db2.gz TYEXPGHXULOFFM-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421383013 926683507 /nfs/dbraw/zinc/68/35/07/926683507.db2.gz YWFBOXSQYWRJMD-OAHLLOKOSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421383013 926683516 /nfs/dbraw/zinc/68/35/16/926683516.db2.gz YWFBOXSQYWRJMD-OAHLLOKOSA-N 2 1 312.414 -1.373 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389052 926683790 /nfs/dbraw/zinc/68/37/90/926683790.db2.gz LWRNLKKPSQNUEX-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389052 926683799 /nfs/dbraw/zinc/68/37/99/926683799.db2.gz LWRNLKKPSQNUEX-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001421389052 926683810 /nfs/dbraw/zinc/68/38/10/926683810.db2.gz LWRNLKKPSQNUEX-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389052 926683820 /nfs/dbraw/zinc/68/38/20/926683820.db2.gz LWRNLKKPSQNUEX-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001421813950 926763917 /nfs/dbraw/zinc/76/39/17/926763917.db2.gz DFJCMCVBXHNHFI-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422271183 926806370 /nfs/dbraw/zinc/80/63/70/926806370.db2.gz IBLBHLGWKKEETF-CHWSQXEVSA-N 2 1 312.370 -1.120 20 0 DAADMP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422271183 926806382 /nfs/dbraw/zinc/80/63/82/926806382.db2.gz IBLBHLGWKKEETF-CHWSQXEVSA-N 2 1 312.370 -1.120 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001422314514 926823876 /nfs/dbraw/zinc/82/38/76/926823876.db2.gz JUVXSPSKJAKFCR-RAIGVLPGSA-N 2 1 310.402 -1.278 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001422362419 926851846 /nfs/dbraw/zinc/85/18/46/926851846.db2.gz PEHQRMKCFPXRSZ-VXGBXAGGSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001422907543 926928681 /nfs/dbraw/zinc/92/86/81/926928681.db2.gz QPXOZMZLUUDNOX-DCAQKATOSA-N 2 1 311.386 -1.383 20 0 DAADMP C[C@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422936042 926931246 /nfs/dbraw/zinc/93/12/46/926931246.db2.gz NSFREQDDMIAHCR-MNOVXSKESA-N 2 1 310.402 -1.003 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423221119 926980121 /nfs/dbraw/zinc/98/01/21/926980121.db2.gz QWHLKHYDYRGNIT-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001423264026 927006840 /nfs/dbraw/zinc/00/68/40/927006840.db2.gz OOHKRMGOQDCECE-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001423264026 927006862 /nfs/dbraw/zinc/00/68/62/927006862.db2.gz OOHKRMGOQDCECE-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001423301973 927021448 /nfs/dbraw/zinc/02/14/48/927021448.db2.gz UOKRHVVXEOWACS-YPMHNXCESA-N 2 1 312.414 -1.327 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423434095 927047924 /nfs/dbraw/zinc/04/79/24/927047924.db2.gz OGMMUSOAIIHQSQ-WDEREUQCSA-N 2 1 302.375 -2.528 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423434095 927047938 /nfs/dbraw/zinc/04/79/38/927047938.db2.gz OGMMUSOAIIHQSQ-WDEREUQCSA-N 2 1 302.375 -2.528 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001423461383 927061403 /nfs/dbraw/zinc/06/14/03/927061403.db2.gz KOWVODMLXIBMAV-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001423461376 927063533 /nfs/dbraw/zinc/06/35/33/927063533.db2.gz KOWVODMLXIBMAV-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001423482514 927074298 /nfs/dbraw/zinc/07/42/98/927074298.db2.gz HVMALYHZSBNWMU-ZDUSSCGKSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423489772 927080149 /nfs/dbraw/zinc/08/01/49/927080149.db2.gz YHTPJOSAVPQGAP-YPMHNXCESA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423489772 927080170 /nfs/dbraw/zinc/08/01/70/927080170.db2.gz YHTPJOSAVPQGAP-YPMHNXCESA-N 2 1 310.402 -1.324 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423801323 927133066 /nfs/dbraw/zinc/13/30/66/927133066.db2.gz NIYAQBGAYFCHJV-SMDDNHRTSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423801323 927133079 /nfs/dbraw/zinc/13/30/79/927133079.db2.gz NIYAQBGAYFCHJV-SMDDNHRTSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423801323 927133093 /nfs/dbraw/zinc/13/30/93/927133093.db2.gz NIYAQBGAYFCHJV-SMDDNHRTSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423801323 927133103 /nfs/dbraw/zinc/13/31/03/927133103.db2.gz NIYAQBGAYFCHJV-SMDDNHRTSA-N 2 1 300.403 -1.247 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800572 927133230 /nfs/dbraw/zinc/13/32/30/927133230.db2.gz LILJIQPJUSQOFH-BBRMVZONSA-N 2 1 324.425 -1.277 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001423800572 927133244 /nfs/dbraw/zinc/13/32/44/927133244.db2.gz LILJIQPJUSQOFH-BBRMVZONSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800572 927133258 /nfs/dbraw/zinc/13/32/58/927133258.db2.gz LILJIQPJUSQOFH-BBRMVZONSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001423800572 927133271 /nfs/dbraw/zinc/13/32/71/927133271.db2.gz LILJIQPJUSQOFH-BBRMVZONSA-N 2 1 324.425 -1.277 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001424052215 927188447 /nfs/dbraw/zinc/18/84/47/927188447.db2.gz NRXZTIIBKVJVNO-GFCCVEGCSA-N 2 1 309.370 -1.509 20 0 DAADMP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001424064811 927190425 /nfs/dbraw/zinc/19/04/25/927190425.db2.gz HJYDXXOABVQYGQ-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001425461582 927368967 /nfs/dbraw/zinc/36/89/67/927368967.db2.gz PCCVYFQCFGOETF-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553959 927392877 /nfs/dbraw/zinc/39/28/77/927392877.db2.gz WKAIEYKVVPXCSO-ZJUUUORDSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553959 927392890 /nfs/dbraw/zinc/39/28/90/927392890.db2.gz WKAIEYKVVPXCSO-ZJUUUORDSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553935 927393236 /nfs/dbraw/zinc/39/32/36/927393236.db2.gz WKAIEYKVVPXCSO-VHSXEESVSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553935 927393247 /nfs/dbraw/zinc/39/32/47/927393247.db2.gz WKAIEYKVVPXCSO-VHSXEESVSA-N 2 1 315.374 -2.052 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001425797448 927452870 /nfs/dbraw/zinc/45/28/70/927452870.db2.gz MHYWJWJVVZQMRM-RYUDHWBXSA-N 2 1 300.403 -1.340 20 0 DAADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001425797436 927453275 /nfs/dbraw/zinc/45/32/75/927453275.db2.gz MHYWJWJVVZQMRM-NEPJUHHUSA-N 2 1 300.403 -1.340 20 0 DAADMP C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001425829007 927466061 /nfs/dbraw/zinc/46/60/61/927466061.db2.gz XWUZDVXKOJLOTD-NWDGAFQWSA-N 2 1 300.403 -1.197 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425826880 927466423 /nfs/dbraw/zinc/46/64/23/927466423.db2.gz CRQCWTLOQHCVNK-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001426026790 927509738 /nfs/dbraw/zinc/50/97/38/927509738.db2.gz BYBOXGNZTVGOBV-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC2 ZINC001426027379 927512678 /nfs/dbraw/zinc/51/26/78/927512678.db2.gz NDUDQEXRDUDZAQ-WCQYABFASA-N 2 1 323.397 -1.352 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426063288 927522354 /nfs/dbraw/zinc/52/23/54/927522354.db2.gz YPIJVIGKKQGOAC-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426063288 927522365 /nfs/dbraw/zinc/52/23/65/927522365.db2.gz YPIJVIGKKQGOAC-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426063288 927522374 /nfs/dbraw/zinc/52/23/74/927522374.db2.gz YPIJVIGKKQGOAC-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426063288 927522385 /nfs/dbraw/zinc/52/23/85/927522385.db2.gz YPIJVIGKKQGOAC-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426063294 927522570 /nfs/dbraw/zinc/52/25/70/927522570.db2.gz YPIJVIGKKQGOAC-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426063294 927522580 /nfs/dbraw/zinc/52/25/80/927522580.db2.gz YPIJVIGKKQGOAC-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426063294 927522586 /nfs/dbraw/zinc/52/25/86/927522586.db2.gz YPIJVIGKKQGOAC-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426063294 927522592 /nfs/dbraw/zinc/52/25/92/927522592.db2.gz YPIJVIGKKQGOAC-QWHCGFSZSA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001426081750 927529691 /nfs/dbraw/zinc/52/96/91/927529691.db2.gz NIGFZZRHHWDBGU-ZDUSSCGKSA-N 2 1 314.430 -1.079 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001426081750 927529702 /nfs/dbraw/zinc/52/97/02/927529702.db2.gz NIGFZZRHHWDBGU-ZDUSSCGKSA-N 2 1 314.430 -1.079 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001428459828 927780771 /nfs/dbraw/zinc/78/07/71/927780771.db2.gz AJNNMVYKJMWWBO-SFDCQRBFSA-N 2 1 324.425 -1.158 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001428459828 927780783 /nfs/dbraw/zinc/78/07/83/927780783.db2.gz AJNNMVYKJMWWBO-SFDCQRBFSA-N 2 1 324.425 -1.158 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001428920458 927827406 /nfs/dbraw/zinc/82/74/06/927827406.db2.gz RJFDBFNDGJCGQQ-OLZOCXBDSA-N 2 1 323.397 -1.169 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001431536994 928055049 /nfs/dbraw/zinc/05/50/49/928055049.db2.gz DHLKVKVFVVUCFR-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001431536994 928055064 /nfs/dbraw/zinc/05/50/64/928055064.db2.gz DHLKVKVFVVUCFR-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431536994 928055078 /nfs/dbraw/zinc/05/50/78/928055078.db2.gz DHLKVKVFVVUCFR-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001431553330 928060928 /nfs/dbraw/zinc/06/09/28/928060928.db2.gz WDVARRTXXBSPLY-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001432022289 928098677 /nfs/dbraw/zinc/09/86/77/928098677.db2.gz UOVRATZLDLTRIY-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001432022289 928098694 /nfs/dbraw/zinc/09/86/94/928098694.db2.gz UOVRATZLDLTRIY-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001432022285 928099700 /nfs/dbraw/zinc/09/97/00/928099700.db2.gz UOVRATZLDLTRIY-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001432022285 928099716 /nfs/dbraw/zinc/09/97/16/928099716.db2.gz UOVRATZLDLTRIY-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001432239094 928119549 /nfs/dbraw/zinc/11/95/49/928119549.db2.gz DKWVYDJTFWOKLN-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001432239094 928119559 /nfs/dbraw/zinc/11/95/59/928119559.db2.gz DKWVYDJTFWOKLN-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+](CC(=O)N1CCCN(CC(N)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001433672009 928252307 /nfs/dbraw/zinc/25/23/07/928252307.db2.gz UQZWBOURRVBSEF-CHWSQXEVSA-N 2 1 312.414 -1.149 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482619 928356491 /nfs/dbraw/zinc/35/64/91/928356491.db2.gz PYBBGGJMHLTKSU-GARJFASQSA-N 2 1 302.375 -2.556 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001436897840 928415684 /nfs/dbraw/zinc/41/56/84/928415684.db2.gz JENSESXMGHYYOW-GMTAPVOTSA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001436883663 928416479 /nfs/dbraw/zinc/41/64/79/928416479.db2.gz PMTKAKGAHFIHRE-NSHDSACASA-N 2 1 313.402 -1.027 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436970622 928420079 /nfs/dbraw/zinc/42/00/79/928420079.db2.gz KKILRIQNDHRFHY-FRRDWIJNSA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437116687 928426938 /nfs/dbraw/zinc/42/69/38/928426938.db2.gz BIKGJABBEFYNAN-VHSXEESVSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437116687 928426943 /nfs/dbraw/zinc/42/69/43/928426943.db2.gz BIKGJABBEFYNAN-VHSXEESVSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437422416 928448214 /nfs/dbraw/zinc/44/82/14/928448214.db2.gz NHFMUCJZSWMFJW-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437453695 928450868 /nfs/dbraw/zinc/45/08/68/928450868.db2.gz UQXKRPLFJKCSRA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437453695 928450873 /nfs/dbraw/zinc/45/08/73/928450873.db2.gz UQXKRPLFJKCSRA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001437453695 928450877 /nfs/dbraw/zinc/45/08/77/928450877.db2.gz UQXKRPLFJKCSRA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001437453695 928450882 /nfs/dbraw/zinc/45/08/82/928450882.db2.gz UQXKRPLFJKCSRA-GHMZBOCLSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001437453698 928451062 /nfs/dbraw/zinc/45/10/62/928451062.db2.gz UQXKRPLFJKCSRA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001437453698 928451074 /nfs/dbraw/zinc/45/10/74/928451074.db2.gz UQXKRPLFJKCSRA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001437453698 928451079 /nfs/dbraw/zinc/45/10/79/928451079.db2.gz UQXKRPLFJKCSRA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001437453698 928451085 /nfs/dbraw/zinc/45/10/85/928451085.db2.gz UQXKRPLFJKCSRA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649475 928467591 /nfs/dbraw/zinc/46/75/91/928467591.db2.gz ZWJTUNHPHSXTLA-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649475 928467596 /nfs/dbraw/zinc/46/75/96/928467596.db2.gz ZWJTUNHPHSXTLA-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649475 928467601 /nfs/dbraw/zinc/46/76/01/928467601.db2.gz ZWJTUNHPHSXTLA-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649475 928467605 /nfs/dbraw/zinc/46/76/05/928467605.db2.gz ZWJTUNHPHSXTLA-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437745773 928475287 /nfs/dbraw/zinc/47/52/87/928475287.db2.gz UXSSEPAIIFQAPC-OLZOCXBDSA-N 2 1 312.414 -1.122 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379813 928515533 /nfs/dbraw/zinc/51/55/33/928515533.db2.gz VHHNKBOICUZAMP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379813 928515540 /nfs/dbraw/zinc/51/55/40/928515540.db2.gz VHHNKBOICUZAMP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001438982243 928556641 /nfs/dbraw/zinc/55/66/41/928556641.db2.gz KLUBKPBVOCTGDS-NEPJUHHUSA-N 2 1 300.403 -1.328 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001438989933 928561429 /nfs/dbraw/zinc/56/14/29/928561429.db2.gz JDBZRYHXZWUVOP-ZIAGYGMSSA-N 2 1 322.413 -1.276 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001439004105 928569610 /nfs/dbraw/zinc/56/96/10/928569610.db2.gz MREUIJDLSPWJDH-ZDUSSCGKSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001439004105 928569619 /nfs/dbraw/zinc/56/96/19/928569619.db2.gz MREUIJDLSPWJDH-ZDUSSCGKSA-N 2 1 310.402 -1.134 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001439044291 928592341 /nfs/dbraw/zinc/59/23/41/928592341.db2.gz MFFRSGOQQQPDQG-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC2CC2)C1 ZINC001439050577 928595007 /nfs/dbraw/zinc/59/50/07/928595007.db2.gz ZSSCNEXVMFMJCD-CHWSQXEVSA-N 2 1 312.414 -1.469 20 0 DAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001439666453 928636504 /nfs/dbraw/zinc/63/65/04/928636504.db2.gz FDFPOXSXSBZMJL-SNVBAGLBSA-N 2 1 308.386 -1.202 20 0 DAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC001439666453 928636509 /nfs/dbraw/zinc/63/65/09/928636509.db2.gz FDFPOXSXSBZMJL-SNVBAGLBSA-N 2 1 308.386 -1.202 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001440019713 928668934 /nfs/dbraw/zinc/66/89/34/928668934.db2.gz ZDRKKQGMCKWRSJ-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001440019713 928668940 /nfs/dbraw/zinc/66/89/40/928668940.db2.gz ZDRKKQGMCKWRSJ-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001440019713 928668941 /nfs/dbraw/zinc/66/89/41/928668941.db2.gz ZDRKKQGMCKWRSJ-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001440019713 928668944 /nfs/dbraw/zinc/66/89/44/928668944.db2.gz ZDRKKQGMCKWRSJ-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017943 928670572 /nfs/dbraw/zinc/67/05/72/928670572.db2.gz CIFYCFMUFXLSGY-WBMJQRKESA-N 2 1 322.409 -1.476 20 0 DAADMP O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017943 928670579 /nfs/dbraw/zinc/67/05/79/928670579.db2.gz CIFYCFMUFXLSGY-WBMJQRKESA-N 2 1 322.409 -1.476 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001440204017 928704185 /nfs/dbraw/zinc/70/41/85/928704185.db2.gz GISGYQIOGLUAFB-RYUDHWBXSA-N 2 1 300.403 -1.388 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001440204008 928705120 /nfs/dbraw/zinc/70/51/20/928705120.db2.gz GISGYQIOGLUAFB-NEPJUHHUSA-N 2 1 300.403 -1.388 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001440207428 928706097 /nfs/dbraw/zinc/70/60/97/928706097.db2.gz MYKJJVTUULJOSG-NWDGAFQWSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001441360156 928783812 /nfs/dbraw/zinc/78/38/12/928783812.db2.gz DSVGLDYJJKXUJW-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001441360156 928783821 /nfs/dbraw/zinc/78/38/21/928783821.db2.gz DSVGLDYJJKXUJW-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001441417961 928787239 /nfs/dbraw/zinc/78/72/39/928787239.db2.gz RGIFUZZPYWKQPK-GMTAPVOTSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001441698518 928821325 /nfs/dbraw/zinc/82/13/25/928821325.db2.gz UCZPRPSJEMPDPE-IJLUTSLNSA-N 2 1 321.443 -1.562 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001441725617 928840631 /nfs/dbraw/zinc/84/06/31/928840631.db2.gz XLQUWXWFPGRPPT-LBPRGKRZSA-N 2 1 324.385 -1.717 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001441763828 928856919 /nfs/dbraw/zinc/85/69/19/928856919.db2.gz ZVRDWHLLSSKIRG-CHWSQXEVSA-N 2 1 323.397 -1.073 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793295 928866102 /nfs/dbraw/zinc/86/61/02/928866102.db2.gz UAFJZROZNGKZJN-MNOVXSKESA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793295 928866114 /nfs/dbraw/zinc/86/61/14/928866114.db2.gz UAFJZROZNGKZJN-MNOVXSKESA-N 2 1 307.416 -1.544 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001441795137 928867363 /nfs/dbraw/zinc/86/73/63/928867363.db2.gz OBOGEWYVDFBLDN-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001441787902 928868119 /nfs/dbraw/zinc/86/81/19/928868119.db2.gz GNWJLFLPPXXETC-KBPBESRZSA-N 2 1 324.429 -1.087 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441800022 928868639 /nfs/dbraw/zinc/86/86/39/928868639.db2.gz ROCGOEUJSGNOFQ-NXEZZACHSA-N 2 1 315.374 -2.540 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001441834651 928875927 /nfs/dbraw/zinc/87/59/27/928875927.db2.gz NBOCLVCIODQEKR-WDEREUQCSA-N 2 1 322.369 -1.035 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)c1nnnn1C ZINC001441995003 928903039 /nfs/dbraw/zinc/90/30/39/928903039.db2.gz KJYSCTPJRVAGOX-MNOVXSKESA-N 2 1 313.406 -1.368 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442025883 928907319 /nfs/dbraw/zinc/90/73/19/928907319.db2.gz AZCTYZOVAULXQW-DGCLKSJQSA-N 2 1 312.414 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001442027195 928909784 /nfs/dbraw/zinc/90/97/84/928909784.db2.gz CWJOYRHCECORLA-NWDGAFQWSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442026899 928911055 /nfs/dbraw/zinc/91/10/55/928911055.db2.gz DJXGRGJHMVGCMS-NXEZZACHSA-N 2 1 315.374 -2.458 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442035288 928912614 /nfs/dbraw/zinc/91/26/14/928912614.db2.gz QYLCJQUINFNKPG-GHMZBOCLSA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442035288 928912619 /nfs/dbraw/zinc/91/26/19/928912619.db2.gz QYLCJQUINFNKPG-GHMZBOCLSA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001442096588 928926220 /nfs/dbraw/zinc/92/62/20/928926220.db2.gz PHGNVPVZVDHTAP-ZDUSSCGKSA-N 2 1 303.403 -1.548 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001442096588 928926229 /nfs/dbraw/zinc/92/62/29/928926229.db2.gz PHGNVPVZVDHTAP-ZDUSSCGKSA-N 2 1 303.403 -1.548 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001442096387 928927055 /nfs/dbraw/zinc/92/70/55/928927055.db2.gz OLXQJNTUQOCHNO-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001442096387 928927064 /nfs/dbraw/zinc/92/70/64/928927064.db2.gz OLXQJNTUQOCHNO-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442096387 928927070 /nfs/dbraw/zinc/92/70/70/928927070.db2.gz OLXQJNTUQOCHNO-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442096387 928927082 /nfs/dbraw/zinc/92/70/82/928927082.db2.gz OLXQJNTUQOCHNO-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442091318 928928708 /nfs/dbraw/zinc/92/87/08/928928708.db2.gz HXQXNPCUAZMBOV-ZDUSSCGKSA-N 2 1 314.430 -1.079 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442091318 928928718 /nfs/dbraw/zinc/92/87/18/928928718.db2.gz HXQXNPCUAZMBOV-ZDUSSCGKSA-N 2 1 314.430 -1.079 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442101033 928930303 /nfs/dbraw/zinc/93/03/03/928930303.db2.gz ZVBDKWPSUINDAA-LBPRGKRZSA-N 2 1 300.403 -1.421 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001442101033 928930311 /nfs/dbraw/zinc/93/03/11/928930311.db2.gz ZVBDKWPSUINDAA-LBPRGKRZSA-N 2 1 300.403 -1.421 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153971 928932735 /nfs/dbraw/zinc/93/27/35/928932735.db2.gz ONDCFSPLUKLSAO-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153971 928932739 /nfs/dbraw/zinc/93/27/39/928932739.db2.gz ONDCFSPLUKLSAO-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC(N)=O ZINC001442716377 928964152 /nfs/dbraw/zinc/96/41/52/928964152.db2.gz JIKPOVDJFUZLFC-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC(N)=O ZINC001442716377 928964162 /nfs/dbraw/zinc/96/41/62/928964162.db2.gz JIKPOVDJFUZLFC-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC(=O)NC(N)=O ZINC001442716377 928964180 /nfs/dbraw/zinc/96/41/80/928964180.db2.gz JIKPOVDJFUZLFC-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(=O)NC(N)=O ZINC001442716377 928964192 /nfs/dbraw/zinc/96/41/92/928964192.db2.gz JIKPOVDJFUZLFC-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337961 929002035 /nfs/dbraw/zinc/00/20/35/929002035.db2.gz MVJCSMHMTVXXRA-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337961 929002040 /nfs/dbraw/zinc/00/20/40/929002040.db2.gz MVJCSMHMTVXXRA-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001443337961 929002048 /nfs/dbraw/zinc/00/20/48/929002048.db2.gz MVJCSMHMTVXXRA-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337961 929002053 /nfs/dbraw/zinc/00/20/53/929002053.db2.gz MVJCSMHMTVXXRA-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444310584 929110405 /nfs/dbraw/zinc/11/04/05/929110405.db2.gz OOEQISOJFWPDHE-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444310584 929110411 /nfs/dbraw/zinc/11/04/11/929110411.db2.gz OOEQISOJFWPDHE-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444310725 929110492 /nfs/dbraw/zinc/11/04/92/929110492.db2.gz PFQSMAWXRWCMNB-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445149824 929168573 /nfs/dbraw/zinc/16/85/73/929168573.db2.gz DUKCUSFXBWQAKQ-RYUDHWBXSA-N 2 1 316.402 -2.092 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445149824 929168582 /nfs/dbraw/zinc/16/85/82/929168582.db2.gz DUKCUSFXBWQAKQ-RYUDHWBXSA-N 2 1 316.402 -2.092 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149673 929168747 /nfs/dbraw/zinc/16/87/47/929168747.db2.gz CTDGNNOOKIHNOV-KGLIPLIRSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149673 929168753 /nfs/dbraw/zinc/16/87/53/929168753.db2.gz CTDGNNOOKIHNOV-KGLIPLIRSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151599 929169691 /nfs/dbraw/zinc/16/96/91/929169691.db2.gz FPIAGQDNMMCSJL-UONOGXRCSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CCOCC2)C1 ZINC001445151599 929169693 /nfs/dbraw/zinc/16/96/93/929169693.db2.gz FPIAGQDNMMCSJL-UONOGXRCSA-N 2 1 315.414 -1.190 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445149826 929169751 /nfs/dbraw/zinc/16/97/51/929169751.db2.gz DUKCUSFXBWQAKQ-VXGBXAGGSA-N 2 1 316.402 -2.092 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445149826 929169755 /nfs/dbraw/zinc/16/97/55/929169755.db2.gz DUKCUSFXBWQAKQ-VXGBXAGGSA-N 2 1 316.402 -2.092 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149670 929170028 /nfs/dbraw/zinc/17/00/28/929170028.db2.gz CTDGNNOOKIHNOV-KBPBESRZSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149670 929170035 /nfs/dbraw/zinc/17/00/35/929170035.db2.gz CTDGNNOOKIHNOV-KBPBESRZSA-N 2 1 308.382 -1.021 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001445175103 929175850 /nfs/dbraw/zinc/17/58/50/929175850.db2.gz FHZVCRUQRFMCIW-KGYLQXTDSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001445175103 929175857 /nfs/dbraw/zinc/17/58/57/929175857.db2.gz FHZVCRUQRFMCIW-KGYLQXTDSA-N 2 1 310.402 -1.278 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445206928 929184365 /nfs/dbraw/zinc/18/43/65/929184365.db2.gz JQYCYKQGIYJDKE-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445237827 929197206 /nfs/dbraw/zinc/19/72/06/929197206.db2.gz SAFVUXGQJJDBSF-FQUUOJAGSA-N 2 1 317.430 -1.209 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445246373 929199070 /nfs/dbraw/zinc/19/90/70/929199070.db2.gz FWEYRCHWENGNBF-VXGBXAGGSA-N 2 1 323.397 -1.038 20 0 DAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445246364 929199280 /nfs/dbraw/zinc/19/92/80/929199280.db2.gz FWEYRCHWENGNBF-NWDGAFQWSA-N 2 1 323.397 -1.038 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268714 929206113 /nfs/dbraw/zinc/20/61/13/929206113.db2.gz KDZFIGKDWQRVND-NXEZZACHSA-N 2 1 312.374 -2.373 20 0 DAADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001445267173 929207403 /nfs/dbraw/zinc/20/74/03/929207403.db2.gz ISKIWPYWTHLXJU-KBPBESRZSA-N 2 1 322.409 -1.096 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445278024 929212496 /nfs/dbraw/zinc/21/24/96/929212496.db2.gz WZQIIKYRVKHIKW-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001446462433 929294668 /nfs/dbraw/zinc/29/46/68/929294668.db2.gz PLMRWEHDIHGUBN-NSHDSACASA-N 2 1 322.369 -1.033 20 0 DAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001446701421 929302858 /nfs/dbraw/zinc/30/28/58/929302858.db2.gz REOGUAOFWGYSSJ-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001446701421 929302870 /nfs/dbraw/zinc/30/28/70/929302870.db2.gz REOGUAOFWGYSSJ-CHWSQXEVSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001446701429 929303679 /nfs/dbraw/zinc/30/36/79/929303679.db2.gz REOGUAOFWGYSSJ-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001446701429 929303691 /nfs/dbraw/zinc/30/36/91/929303691.db2.gz REOGUAOFWGYSSJ-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769183 929315925 /nfs/dbraw/zinc/31/59/25/929315925.db2.gz ZUNBBPIFYBCXFA-XJKSGUPXSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769183 929315932 /nfs/dbraw/zinc/31/59/32/929315932.db2.gz ZUNBBPIFYBCXFA-XJKSGUPXSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769183 929315946 /nfs/dbraw/zinc/31/59/46/929315946.db2.gz ZUNBBPIFYBCXFA-XJKSGUPXSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769183 929315959 /nfs/dbraw/zinc/31/59/59/929315959.db2.gz ZUNBBPIFYBCXFA-XJKSGUPXSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769181 929317443 /nfs/dbraw/zinc/31/74/43/929317443.db2.gz ZUNBBPIFYBCXFA-CJNGLKHVSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769181 929317454 /nfs/dbraw/zinc/31/74/54/929317454.db2.gz ZUNBBPIFYBCXFA-CJNGLKHVSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769181 929317462 /nfs/dbraw/zinc/31/74/62/929317462.db2.gz ZUNBBPIFYBCXFA-CJNGLKHVSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769181 929317467 /nfs/dbraw/zinc/31/74/67/929317467.db2.gz ZUNBBPIFYBCXFA-CJNGLKHVSA-N 2 1 324.425 -1.088 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 ZINC001447287989 929382850 /nfs/dbraw/zinc/38/28/50/929382850.db2.gz PZWCOPHPCXCPFD-GFCCVEGCSA-N 2 1 309.370 -1.095 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(N)=O ZINC001448013464 929424023 /nfs/dbraw/zinc/42/40/23/929424023.db2.gz FPOVYDUWQDXVRO-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(N)=O ZINC001448013464 929424036 /nfs/dbraw/zinc/42/40/36/929424036.db2.gz FPOVYDUWQDXVRO-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001448013464 929424042 /nfs/dbraw/zinc/42/40/42/929424042.db2.gz FPOVYDUWQDXVRO-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001448013464 929424052 /nfs/dbraw/zinc/42/40/52/929424052.db2.gz FPOVYDUWQDXVRO-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001448510267 929456142 /nfs/dbraw/zinc/45/61/42/929456142.db2.gz LVNUDLDAXIQORB-GMTAPVOTSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001448727322 929466923 /nfs/dbraw/zinc/46/69/23/929466923.db2.gz OIYZAQYTDKFHBR-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001448727323 929467644 /nfs/dbraw/zinc/46/76/44/929467644.db2.gz OIYZAQYTDKFHBR-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448792713 929471703 /nfs/dbraw/zinc/47/17/03/929471703.db2.gz VRNWIIOBBPAIOM-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448853480 929495699 /nfs/dbraw/zinc/49/56/99/929495699.db2.gz BWTQTZPKMVUHSY-NEPJUHHUSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448853480 929495702 /nfs/dbraw/zinc/49/57/02/929495702.db2.gz BWTQTZPKMVUHSY-NEPJUHHUSA-N 2 1 300.403 -1.341 20 0 DAADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913133 929513503 /nfs/dbraw/zinc/51/35/03/929513503.db2.gz VMLUCLWQGKQLBT-MNOVXSKESA-N 2 1 302.419 -1.095 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001448914169 929514208 /nfs/dbraw/zinc/51/42/08/929514208.db2.gz WXIUHPFOSCFVAZ-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001448914169 929514218 /nfs/dbraw/zinc/51/42/18/929514218.db2.gz WXIUHPFOSCFVAZ-OLZOCXBDSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001448914167 929514887 /nfs/dbraw/zinc/51/48/87/929514887.db2.gz WXIUHPFOSCFVAZ-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001448914167 929514894 /nfs/dbraw/zinc/51/48/94/929514894.db2.gz WXIUHPFOSCFVAZ-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001448944574 929521988 /nfs/dbraw/zinc/52/19/88/929521988.db2.gz IQGRZSWJJNDNND-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001448944574 929522000 /nfs/dbraw/zinc/52/20/00/929522000.db2.gz IQGRZSWJJNDNND-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001448945944 929522461 /nfs/dbraw/zinc/52/24/61/929522461.db2.gz BPDPNHPDKANMMJ-JTQLQIEISA-N 2 1 317.390 -2.151 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001448951575 929524927 /nfs/dbraw/zinc/52/49/27/929524927.db2.gz JTFHFVXWJCGZML-ZYHUDNBSSA-N 2 1 311.386 -1.265 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001449131734 929548430 /nfs/dbraw/zinc/54/84/30/929548430.db2.gz VNFQCMJBXDOSNM-JHJVBQTASA-N 2 1 314.430 -1.176 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001449131733 929549193 /nfs/dbraw/zinc/54/91/93/929549193.db2.gz VNFQCMJBXDOSNM-FRRDWIJNSA-N 2 1 314.430 -1.176 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001449146963 929554473 /nfs/dbraw/zinc/55/44/73/929554473.db2.gz JCGOECWWCZPUKP-NSHDSACASA-N 2 1 302.375 -2.397 20 0 DAADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548572862 930030782 /nfs/dbraw/zinc/03/07/82/930030782.db2.gz RBNPFFCGXWVFPM-DGAVXFQQSA-N 2 1 324.425 -1.232 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548557349 930031060 /nfs/dbraw/zinc/03/10/60/930031060.db2.gz LHVBUOJGLNOSCL-CHWSQXEVSA-N 2 1 309.414 -1.687 20 0 DAADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548556964 930031186 /nfs/dbraw/zinc/03/11/86/930031186.db2.gz HVUHNKAQKAZALR-CJNGLKHVSA-N 2 1 324.425 -1.086 20 0 DAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556873 930031657 /nfs/dbraw/zinc/03/16/57/930031657.db2.gz GCWLJCDRMREAIQ-IOASZLSFSA-N 2 1 322.409 -1.212 20 0 DAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548557002 930031693 /nfs/dbraw/zinc/03/16/93/930031693.db2.gz IVDPTAVMVXJSKV-AGIUHOORSA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC001548700838 930041046 /nfs/dbraw/zinc/04/10/46/930041046.db2.gz DQWFYGLKMJVAOG-ILXRZTDVSA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC001548700838 930041056 /nfs/dbraw/zinc/04/10/56/930041056.db2.gz DQWFYGLKMJVAOG-ILXRZTDVSA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC001548700838 930041064 /nfs/dbraw/zinc/04/10/64/930041064.db2.gz DQWFYGLKMJVAOG-ILXRZTDVSA-N 2 1 307.442 -1.119 20 0 DAADMP Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC(=O)N1C ZINC001549043949 930046766 /nfs/dbraw/zinc/04/67/66/930046766.db2.gz SHBDNRWFTPFOCW-IAQYHMDHSA-N 2 1 320.397 -1.287 20 0 DAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001549045394 930046901 /nfs/dbraw/zinc/04/69/01/930046901.db2.gz VPRJRBPTUYSGAD-WCQYABFASA-N 2 1 322.413 -1.008 20 0 DAADMP CN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC001550115550 930062553 /nfs/dbraw/zinc/06/25/53/930062553.db2.gz BETCWOFXGDTPLE-ZIAGYGMSSA-N 2 1 323.441 -1.297 20 0 DAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203178 930070347 /nfs/dbraw/zinc/07/03/47/930070347.db2.gz WKZXSOXKAGJUBN-IOASZLSFSA-N 2 1 322.409 -1.355 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552200602 930070863 /nfs/dbraw/zinc/07/08/63/930070863.db2.gz RFKNCQQGRVDGQV-SWLSCSKDSA-N 2 1 310.398 -1.497 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201032 930071358 /nfs/dbraw/zinc/07/13/58/930071358.db2.gz KDHCFZVHLSJZSY-WBMJQRKESA-N 2 1 324.425 -1.109 20 0 DAADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553349155 930074498 /nfs/dbraw/zinc/07/44/98/930074498.db2.gz CXCSUQDKTCXDQU-DOMZBBRYSA-N 3 1 309.414 -1.924 20 0 DAADMP CN1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553349155 930074507 /nfs/dbraw/zinc/07/45/07/930074507.db2.gz CXCSUQDKTCXDQU-DOMZBBRYSA-N 2 1 309.414 -1.924 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553354129 930074740 /nfs/dbraw/zinc/07/47/40/930074740.db2.gz QPPJEARNQXLNAN-GDBMZVCRSA-N 3 1 309.458 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553354129 930074751 /nfs/dbraw/zinc/07/47/51/930074751.db2.gz QPPJEARNQXLNAN-GDBMZVCRSA-N 3 1 309.458 -1.109 20 0 DAADMP C[C@@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C ZINC000078745371 545649464 /nfs/dbraw/zinc/64/94/64/545649464.db2.gz YQBLACOJQZLFAB-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000659689718 545750971 /nfs/dbraw/zinc/75/09/71/545750971.db2.gz IUMIMBHCWNZMGY-LBPRGKRZSA-N 2 1 313.446 -1.147 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419451306 545768844 /nfs/dbraw/zinc/76/88/44/545768844.db2.gz NCGARNKXPLAZBM-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000419894079 545770907 /nfs/dbraw/zinc/77/09/07/545770907.db2.gz VSGNAUHIECWLNR-RYUDHWBXSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000419894079 545770911 /nfs/dbraw/zinc/77/09/11/545770911.db2.gz VSGNAUHIECWLNR-RYUDHWBXSA-N 2 1 312.414 -1.232 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCO ZINC000643590001 372769088 /nfs/dbraw/zinc/76/90/88/372769088.db2.gz KCEVNLHWCMHFHP-LBPRGKRZSA-N 2 1 312.414 -1.149 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1CCO ZINC000643590001 372769091 /nfs/dbraw/zinc/76/90/91/372769091.db2.gz KCEVNLHWCMHFHP-LBPRGKRZSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000383822142 372782133 /nfs/dbraw/zinc/78/21/33/372782133.db2.gz QZWCMPNONIDZDT-NSHDSACASA-N 2 1 306.432 -1.335 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642724547 372787616 /nfs/dbraw/zinc/78/76/16/372787616.db2.gz VNSVBMYJBAVBDA-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000642773400 372799733 /nfs/dbraw/zinc/79/97/33/372799733.db2.gz WDTWLYQVFHRAMG-WCQYABFASA-N 2 1 311.430 -1.313 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000642785675 372809632 /nfs/dbraw/zinc/80/96/32/372809632.db2.gz CRMXVKJDJANNPW-KGLIPLIRSA-N 2 1 323.441 -1.312 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000557241990 372810859 /nfs/dbraw/zinc/81/08/59/372810859.db2.gz TVYGPABVITXYCT-IHRRRGAJSA-N 2 1 313.446 -1.014 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000557241992 372812579 /nfs/dbraw/zinc/81/25/79/372812579.db2.gz TVYGPABVITXYCT-RDBSUJKOSA-N 2 1 313.446 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C1 ZINC000642925087 372865065 /nfs/dbraw/zinc/86/50/65/372865065.db2.gz YPLHAEMTHWZIDS-ZDUSSCGKSA-N 2 1 309.414 -1.687 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000642908255 372858557 /nfs/dbraw/zinc/85/85/57/372858557.db2.gz MMOOBGIPOAXTQG-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000642908255 372858566 /nfs/dbraw/zinc/85/85/66/372858566.db2.gz MMOOBGIPOAXTQG-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP C[NH+](CC(O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039102 372858907 /nfs/dbraw/zinc/85/89/07/372858907.db2.gz PLYFKRAWSCMAHH-HUVAQWKNSA-N 2 1 312.414 -1.261 20 0 DAADMP C[NH+](CC(O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039102 372858914 /nfs/dbraw/zinc/85/89/14/372858914.db2.gz PLYFKRAWSCMAHH-HUVAQWKNSA-N 2 1 312.414 -1.261 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000580096238 372924927 /nfs/dbraw/zinc/92/49/27/372924927.db2.gz YLAQUOKWUULCSX-QWRGUYRKSA-N 2 1 323.397 -1.049 20 0 DAADMP CC1(C)NC(=O)N(CCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000580096238 372924936 /nfs/dbraw/zinc/92/49/36/372924936.db2.gz YLAQUOKWUULCSX-QWRGUYRKSA-N 2 1 323.397 -1.049 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627365690 372916757 /nfs/dbraw/zinc/91/67/57/372916757.db2.gz WTMWLVDOORPLJW-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536532819 372925931 /nfs/dbraw/zinc/92/59/31/372925931.db2.gz BGCNGOIVKJHLGV-AWEZNQCLSA-N 2 1 323.441 -1.391 20 0 DAADMP C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000601343808 372941059 /nfs/dbraw/zinc/94/10/59/372941059.db2.gz ROGFHTJGXGOYIL-GHMZBOCLSA-N 2 1 316.427 -1.346 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000592487161 372972281 /nfs/dbraw/zinc/97/22/81/372972281.db2.gz PJKVCVVMIDOHJU-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP COCCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179832 373060677 /nfs/dbraw/zinc/06/06/77/373060677.db2.gz CEBPWIYJFMAVFR-LBPRGKRZSA-N 2 1 300.403 -1.074 20 0 DAADMP COCCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179834 373061079 /nfs/dbraw/zinc/06/10/79/373061079.db2.gz CEBPWIYJFMAVFR-GFCCVEGCSA-N 2 1 300.403 -1.074 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C ZINC000602501114 373062681 /nfs/dbraw/zinc/06/26/81/373062681.db2.gz DMQQYWOIOREJJQ-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@@H]1C ZINC000602501114 373062689 /nfs/dbraw/zinc/06/26/89/373062689.db2.gz DMQQYWOIOREJJQ-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CCN2C1=O ZINC000602531995 373062792 /nfs/dbraw/zinc/06/27/92/373062792.db2.gz YZADKSNDTOFVJF-LPWJVIDDSA-N 2 1 308.382 -1.380 20 0 DAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CCN2C1=O ZINC000602531993 373063864 /nfs/dbraw/zinc/06/38/64/373063864.db2.gz YZADKSNDTOFVJF-FDYHWXHSSA-N 2 1 308.382 -1.380 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380730 373071510 /nfs/dbraw/zinc/07/15/10/373071510.db2.gz XFSXTCWRQKFEEM-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339638642 373128710 /nfs/dbraw/zinc/12/87/10/373128710.db2.gz OBPVJRDVJLYPAE-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000263260520 373144374 /nfs/dbraw/zinc/14/43/74/373144374.db2.gz SIPMLFTVYXEXHV-OBJOEFQTSA-N 2 1 314.430 -1.001 20 0 DAADMP C[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[NH2+]CCO1 ZINC000638175351 373210670 /nfs/dbraw/zinc/21/06/70/373210670.db2.gz ZGDPWNQMHQZCBD-WFASDCNBSA-N 2 1 310.398 -1.212 20 0 DAADMP CC[NH2+][C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349839 373214103 /nfs/dbraw/zinc/21/41/03/373214103.db2.gz WZDJYFCFRIQNOI-SNVBAGLBSA-N 2 1 304.416 -1.570 20 0 DAADMP CC[NH2+][C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349838 373214375 /nfs/dbraw/zinc/21/43/75/373214375.db2.gz WZDJYFCFRIQNOI-JTQLQIEISA-N 2 1 304.416 -1.570 20 0 DAADMP O[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)C[C@@H]1O ZINC000278708300 373190782 /nfs/dbraw/zinc/19/07/82/373190782.db2.gz KBDWGVGZJWIHMF-YHUYYLMFSA-N 2 1 308.378 -1.239 20 0 DAADMP O[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789386 373190959 /nfs/dbraw/zinc/19/09/59/373190959.db2.gz OAKYOVSTIYZPRB-FPCVCCKLSA-N 2 1 308.378 -1.239 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571985904 373329310 /nfs/dbraw/zinc/32/93/10/373329310.db2.gz LFWPQMNGUKYBFG-CHWSQXEVSA-N 2 1 313.446 -1.066 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571985906 373329447 /nfs/dbraw/zinc/32/94/47/373329447.db2.gz LFWPQMNGUKYBFG-QWHCGFSZSA-N 2 1 313.446 -1.066 20 0 DAADMP COCC[N@H+](C)C[C@@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051506 373310436 /nfs/dbraw/zinc/31/04/36/373310436.db2.gz OUCQNEFHZJMEDR-CQSZACIVSA-N 2 1 316.446 -1.369 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051506 373310439 /nfs/dbraw/zinc/31/04/39/373310439.db2.gz OUCQNEFHZJMEDR-CQSZACIVSA-N 2 1 316.446 -1.369 20 0 DAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189847 373324406 /nfs/dbraw/zinc/32/44/06/373324406.db2.gz FCUOYBXNQLJTKJ-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189847 373324410 /nfs/dbraw/zinc/32/44/10/373324410.db2.gz FCUOYBXNQLJTKJ-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420018350 373324739 /nfs/dbraw/zinc/32/47/39/373324739.db2.gz XRBSBLDTJQHFRQ-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420018350 373324748 /nfs/dbraw/zinc/32/47/48/373324748.db2.gz XRBSBLDTJQHFRQ-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000419894078 373324950 /nfs/dbraw/zinc/32/49/50/373324950.db2.gz VSGNAUHIECWLNR-NWDGAFQWSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000419894078 373324958 /nfs/dbraw/zinc/32/49/58/373324958.db2.gz VSGNAUHIECWLNR-NWDGAFQWSA-N 2 1 312.414 -1.232 20 0 DAADMP O=C(CC[N@@H+]1CCO[C@H](Cn2cncn2)C1)N1CC[NH2+]CC1 ZINC000262148473 373335162 /nfs/dbraw/zinc/33/51/62/373335162.db2.gz PAFKAQXQWHPUGZ-ZDUSSCGKSA-N 2 1 308.386 -1.199 20 0 DAADMP O=C(CC[N@H+]1CCO[C@H](Cn2cncn2)C1)N1CC[NH2+]CC1 ZINC000262148473 373335172 /nfs/dbraw/zinc/33/51/72/373335172.db2.gz PAFKAQXQWHPUGZ-ZDUSSCGKSA-N 2 1 308.386 -1.199 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039160 373348894 /nfs/dbraw/zinc/34/88/94/373348894.db2.gz JMHHJIDOCFHRMJ-ZYHUDNBSSA-N 2 1 316.427 -1.712 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000629803851 373407596 /nfs/dbraw/zinc/40/75/96/373407596.db2.gz VLNJIQVIMWJUBW-UHFFFAOYSA-N 2 1 300.403 -1.027 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641224071 373420229 /nfs/dbraw/zinc/42/02/29/373420229.db2.gz SPAWNYDSYXYVMY-CQSZACIVSA-N 2 1 312.418 -1.378 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641224067 373420296 /nfs/dbraw/zinc/42/02/96/373420296.db2.gz SPAWNYDSYXYVMY-AWEZNQCLSA-N 2 1 312.418 -1.378 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824429 373426784 /nfs/dbraw/zinc/42/67/84/373426784.db2.gz JAMQGBOCPHPGOG-UHFFFAOYSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824429 373426796 /nfs/dbraw/zinc/42/67/96/373426796.db2.gz JAMQGBOCPHPGOG-UHFFFAOYSA-N 2 1 300.403 -1.027 20 0 DAADMP NS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000641797266 373427085 /nfs/dbraw/zinc/42/70/85/373427085.db2.gz ZVMMZQOPOPZSPS-GFCCVEGCSA-N 2 1 318.443 -1.191 20 0 DAADMP C[NH2+]CCOCC[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000629572200 373397767 /nfs/dbraw/zinc/39/77/67/373397767.db2.gz XRIHSSWDLQKZEF-UHFFFAOYSA-N 2 1 319.431 -1.134 20 0 DAADMP C[NH2+]CCOCC[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000629572200 373397777 /nfs/dbraw/zinc/39/77/77/373397777.db2.gz XRIHSSWDLQKZEF-UHFFFAOYSA-N 2 1 319.431 -1.134 20 0 DAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629579729 373400542 /nfs/dbraw/zinc/40/05/42/373400542.db2.gz QDVVGCAHRUQAAK-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526832 /nfs/dbraw/zinc/52/68/32/373526832.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 1 316.446 -1.289 20 0 DAADMP CC(C)CN1CCO[C@@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526837 /nfs/dbraw/zinc/52/68/37/373526837.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 1 316.446 -1.289 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000578738759 373584092 /nfs/dbraw/zinc/58/40/92/373584092.db2.gz SQGYBCZVWWPVIY-SYQHCUMBSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000578738759 373584098 /nfs/dbraw/zinc/58/40/98/373584098.db2.gz SQGYBCZVWWPVIY-SYQHCUMBSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000578866347 373588035 /nfs/dbraw/zinc/58/80/35/373588035.db2.gz RLSUTGVOZVLBTG-CYBMUJFWSA-N 2 1 316.427 -1.568 20 0 DAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000567716871 373538298 /nfs/dbraw/zinc/53/82/98/373538298.db2.gz QCXRTFSKHCASQX-NSHDSACASA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000579731111 373594373 /nfs/dbraw/zinc/59/43/73/373594373.db2.gz GREAEQPFGPTXEK-HOCLYGCPSA-N 2 1 308.426 -1.051 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000568373619 373546632 /nfs/dbraw/zinc/54/66/32/373546632.db2.gz OVUIEYBKOBQGIJ-DGCLKSJQSA-N 2 1 309.414 -1.559 20 0 DAADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000579731112 373595076 /nfs/dbraw/zinc/59/50/76/373595076.db2.gz GREAEQPFGPTXEK-ZBFHGGJFSA-N 2 1 308.426 -1.051 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000573445478 373553023 /nfs/dbraw/zinc/55/30/23/373553023.db2.gz XNIGPPWGUXKCND-UHFFFAOYSA-N 2 1 314.386 -1.629 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555264 /nfs/dbraw/zinc/55/52/64/373555264.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555270 /nfs/dbraw/zinc/55/52/70/373555270.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555276 /nfs/dbraw/zinc/55/52/76/373555276.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 1 323.459 -1.074 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCO1 ZINC000573711577 373557619 /nfs/dbraw/zinc/55/76/19/373557619.db2.gz OZJJHGQBYWLAIR-ZDUSSCGKSA-N 2 1 310.398 -1.131 20 0 DAADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574452543 373561451 /nfs/dbraw/zinc/56/14/51/373561451.db2.gz BRCKSQXHUBIJEO-NSHDSACASA-N 2 1 304.416 -1.439 20 0 DAADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1C[NH2+]C1 ZINC000575747199 373565605 /nfs/dbraw/zinc/56/56/05/373565605.db2.gz FBZVPJFNGYXONX-SNVBAGLBSA-N 2 1 316.427 -1.712 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999410 373567523 /nfs/dbraw/zinc/56/75/23/373567523.db2.gz GKFDUYQCZQAOAG-AVGNSLFASA-N 2 1 301.387 -1.485 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002592 373567983 /nfs/dbraw/zinc/56/79/83/373567983.db2.gz ZQWNEJAPIVADLA-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002592 373567990 /nfs/dbraw/zinc/56/79/90/373567990.db2.gz ZQWNEJAPIVADLA-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577208869 373573009 /nfs/dbraw/zinc/57/30/09/373573009.db2.gz PIXGXNMWVBFHPE-KWCYVHTRSA-N 2 1 323.441 -1.313 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577208868 373573676 /nfs/dbraw/zinc/57/36/76/373573676.db2.gz PIXGXNMWVBFHPE-BNOWGMLFSA-N 2 1 323.441 -1.313 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000627349168 373657179 /nfs/dbraw/zinc/65/71/79/373657179.db2.gz FGNKRGVBPFJLPP-WOPDTQHZSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000627334448 373649044 /nfs/dbraw/zinc/64/90/44/373649044.db2.gz QZDYONFLGKVKMS-GFCCVEGCSA-N 2 1 311.430 -1.393 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627353317 373658699 /nfs/dbraw/zinc/65/86/99/373658699.db2.gz YXGKHYNCPOJXJG-NSHDSACASA-N 2 1 302.375 -2.215 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000627339098 373650944 /nfs/dbraw/zinc/65/09/44/373650944.db2.gz ZAWVWJNVJVWTBT-UHFFFAOYSA-N 2 1 313.446 -1.064 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621839289 373652044 /nfs/dbraw/zinc/65/20/44/373652044.db2.gz QNJMUNDZEXXMMU-ZENOOKHLSA-N 2 1 323.441 -1.312 20 0 DAADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000622031105 373653064 /nfs/dbraw/zinc/65/30/64/373653064.db2.gz HNVSHZBNWDJRHL-IATRGZMQSA-N 2 1 322.409 -1.396 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000627346090 373653543 /nfs/dbraw/zinc/65/35/43/373653543.db2.gz DYTRMGKBHUPHOY-GFCCVEGCSA-N 2 1 300.403 -1.122 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627346553 373654003 /nfs/dbraw/zinc/65/40/03/373654003.db2.gz VWOXPHFABGMZRN-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000622031106 373654169 /nfs/dbraw/zinc/65/41/69/373654169.db2.gz HNVSHZBNWDJRHL-JFILPPLUSA-N 2 1 322.409 -1.396 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627353316 373657077 /nfs/dbraw/zinc/65/70/77/373657077.db2.gz YXGKHYNCPOJXJG-LLVKDONJSA-N 2 1 302.375 -2.215 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623957723 373662539 /nfs/dbraw/zinc/66/25/39/373662539.db2.gz SBRAPXDMFQLVBO-UHFFFAOYSA-N 2 1 308.390 -1.527 20 0 DAADMP CC(C)C[C@H](Nc1nc(N)nc(N)[nH+]1)C(=O)NCC[NH+](C)C ZINC000624068390 373664942 /nfs/dbraw/zinc/66/49/42/373664942.db2.gz UNLYSFXNFGTWIU-VIFPVBQESA-N 2 1 310.406 -1.377 20 0 DAADMP Nc1nc(N)[nH+]c(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000624243898 373667254 /nfs/dbraw/zinc/66/72/54/373667254.db2.gz CUYQKTZLNDKICV-UHFFFAOYSA-N 2 1 308.390 -1.477 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627361614 373670856 /nfs/dbraw/zinc/67/08/56/373670856.db2.gz SSZPKBRZCJCXEN-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473377 373682666 /nfs/dbraw/zinc/68/26/66/373682666.db2.gz MHOKKXJJHSWCPJ-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475676 373684886 /nfs/dbraw/zinc/68/48/86/373684886.db2.gz RYDBCKSIWMXRKY-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633090599 373729492 /nfs/dbraw/zinc/72/94/92/373729492.db2.gz FBFZHWUTBIKNOZ-JSGCOSHPSA-N 2 1 324.425 -1.136 20 0 DAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000633111194 373730264 /nfs/dbraw/zinc/73/02/64/373730264.db2.gz NJBOTEOEVXJLIY-QNWHQSFQSA-N 2 1 308.382 -1.773 20 0 DAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000633146644 373730527 /nfs/dbraw/zinc/73/05/27/373730527.db2.gz PSGZFGJEXAYETI-FVCCEPFGSA-N 2 1 312.414 -1.152 20 0 DAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000633146644 373730530 /nfs/dbraw/zinc/73/05/30/373730530.db2.gz PSGZFGJEXAYETI-FVCCEPFGSA-N 2 1 312.414 -1.152 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1CCO ZINC000633114819 373731100 /nfs/dbraw/zinc/73/11/00/373731100.db2.gz ZWPBBYACOAWSSA-RYUDHWBXSA-N 2 1 310.398 -1.526 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1CCO ZINC000633114819 373731105 /nfs/dbraw/zinc/73/11/05/373731105.db2.gz ZWPBBYACOAWSSA-RYUDHWBXSA-N 2 1 310.398 -1.526 20 0 DAADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000633112391 373731405 /nfs/dbraw/zinc/73/14/05/373731405.db2.gz YUXDVGZCHKESFS-HZSPNIEDSA-N 2 1 324.425 -1.006 20 0 DAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000645950432 545788237 /nfs/dbraw/zinc/78/82/37/545788237.db2.gz QGLQXUVFIJOISY-ZDUSSCGKSA-N 2 1 311.430 -1.310 20 0 DAADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000649368376 545803270 /nfs/dbraw/zinc/80/32/70/545803270.db2.gz JFNJMHHPOUUDKZ-JTQLQIEISA-N 2 1 304.416 -1.618 20 0 DAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000627398912 545831104 /nfs/dbraw/zinc/83/11/04/545831104.db2.gz ZFOZVPKUWSEDKC-CYBMUJFWSA-N 2 1 313.446 -1.207 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193488966 782006099 /nfs/dbraw/zinc/00/60/99/782006099.db2.gz QRXHCUDEIJXWRX-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487509 782006283 /nfs/dbraw/zinc/00/62/83/782006283.db2.gz AHLIJIQYBJCZKG-VXGBXAGGSA-N 2 1 300.403 -1.029 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487506 782006583 /nfs/dbraw/zinc/00/65/83/782006583.db2.gz AHLIJIQYBJCZKG-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636746314 409385887 /nfs/dbraw/zinc/38/58/87/409385887.db2.gz GPNRJIZTIWPAGC-KGLIPLIRSA-N 2 1 313.446 -1.012 20 0 DAADMP COC(=O)[C@@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@@H+](C)C1 ZINC000411901294 409397964 /nfs/dbraw/zinc/39/79/64/409397964.db2.gz GFPYNYSRQCOPBV-ZDUSSCGKSA-N 2 1 312.414 -1.203 20 0 DAADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178271 409343350 /nfs/dbraw/zinc/34/33/50/409343350.db2.gz KENYWXNVEGJDIM-GDNZZTSVSA-N 2 1 314.411 -2.102 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638124687 409404916 /nfs/dbraw/zinc/40/49/16/409404916.db2.gz GSNDPVZCECMJHO-UHFFFAOYSA-N 2 1 311.430 -1.486 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000519532894 409456945 /nfs/dbraw/zinc/45/69/45/409456945.db2.gz JSCVRHQKASUVKR-CYBMUJFWSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332491543 409463310 /nfs/dbraw/zinc/46/33/10/409463310.db2.gz VIRJBFBIGHHSBS-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353574761 409473947 /nfs/dbraw/zinc/47/39/47/409473947.db2.gz DAEBBZAMWBYTGS-OLZOCXBDSA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353574761 409473950 /nfs/dbraw/zinc/47/39/50/409473950.db2.gz DAEBBZAMWBYTGS-OLZOCXBDSA-N 2 1 311.430 -1.182 20 0 DAADMP NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000353641086 409474308 /nfs/dbraw/zinc/47/43/08/409474308.db2.gz ODPUBFLYKCMDQI-NSHDSACASA-N 2 1 311.386 -2.044 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000355151328 409483942 /nfs/dbraw/zinc/48/39/42/409483942.db2.gz SUXKXFXOIIZJLO-OCCSQVGLSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355151328 409483948 /nfs/dbraw/zinc/48/39/48/409483948.db2.gz SUXKXFXOIIZJLO-OCCSQVGLSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355151328 409483954 /nfs/dbraw/zinc/48/39/54/409483954.db2.gz SUXKXFXOIIZJLO-OCCSQVGLSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356948968 409489169 /nfs/dbraw/zinc/48/91/69/409489169.db2.gz QXGVHMSTYQVOID-UHFFFAOYSA-N 2 1 313.402 -1.168 20 0 DAADMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000516180872 409555225 /nfs/dbraw/zinc/55/52/25/409555225.db2.gz PLLJJYKVOQZJCX-STQMWFEESA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000516434826 409557202 /nfs/dbraw/zinc/55/72/02/409557202.db2.gz PMAXWOCXCXDDAC-YRGRVCCFSA-N 2 1 323.441 -1.171 20 0 DAADMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428624530 409557913 /nfs/dbraw/zinc/55/79/13/409557913.db2.gz IUDUSWAFTFTATK-QWHCGFSZSA-N 2 1 310.398 -1.355 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000516434823 409559138 /nfs/dbraw/zinc/55/91/38/409559138.db2.gz PMAXWOCXCXDDAC-DYEKYZERSA-N 2 1 323.441 -1.171 20 0 DAADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000516180869 409559301 /nfs/dbraw/zinc/55/93/01/409559301.db2.gz PLLJJYKVOQZJCX-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NC[C@@H](O)CN1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372357023 409515325 /nfs/dbraw/zinc/51/53/25/409515325.db2.gz NSZVJYONNJWQRN-ZIAGYGMSSA-N 2 1 312.414 -1.814 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000659700936 409527290 /nfs/dbraw/zinc/52/72/90/409527290.db2.gz XBGABOBWUMABPD-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659738183 409532094 /nfs/dbraw/zinc/53/20/94/409532094.db2.gz BEQLPUSKJBSGLM-OLZOCXBDSA-N 2 1 311.430 -1.312 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000419925726 409537140 /nfs/dbraw/zinc/53/71/40/409537140.db2.gz AKORVKZSLWOTBF-LBPRGKRZSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432532897 409569260 /nfs/dbraw/zinc/56/92/60/409569260.db2.gz WCFORBFNTCSUGC-YNEHKIRRSA-N 2 1 312.414 -1.232 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423381691 409545976 /nfs/dbraw/zinc/54/59/76/409545976.db2.gz NWUOVNHHYHKGLB-CHWSQXEVSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000423381691 409545985 /nfs/dbraw/zinc/54/59/85/409545985.db2.gz NWUOVNHHYHKGLB-CHWSQXEVSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000422750461 409548301 /nfs/dbraw/zinc/54/83/01/409548301.db2.gz AYQCPMURDUIWAZ-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000424547515 409551125 /nfs/dbraw/zinc/55/11/25/409551125.db2.gz OQKUABPWKOHSGD-UHFFFAOYSA-N 2 1 312.414 -1.109 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C(CO)CO)C1 ZINC000516934993 409628263 /nfs/dbraw/zinc/62/82/63/409628263.db2.gz GNJLTXOHVFAODK-CYBMUJFWSA-N 2 1 303.403 -1.598 20 0 DAADMP O[C@@H]1C[C@H]2CN(CCCN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829731 409635357 /nfs/dbraw/zinc/63/53/57/409635357.db2.gz UYMYDXCAXMDMLG-MWDXBVQZSA-N 2 1 324.469 -1.122 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]CCOC)C1 ZINC000659725175 409694763 /nfs/dbraw/zinc/69/47/63/409694763.db2.gz YSHSQXHXRJGFTP-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659731502 409699362 /nfs/dbraw/zinc/69/93/62/409699362.db2.gz KTYJMACHAKPSNA-KBPBESRZSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000649072688 409647944 /nfs/dbraw/zinc/64/79/44/409647944.db2.gz HFNTURGGXOZWLU-ZIAGYGMSSA-N 2 1 323.441 -1.045 20 0 DAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000649072686 409649251 /nfs/dbraw/zinc/64/92/51/409649251.db2.gz HFNTURGGXOZWLU-KGLIPLIRSA-N 2 1 323.441 -1.045 20 0 DAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000649074396 409649967 /nfs/dbraw/zinc/64/99/67/409649967.db2.gz ICJRLMZKPNWCPN-ZDUSSCGKSA-N 2 1 311.430 -1.188 20 0 DAADMP O=C(CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000655961108 409673419 /nfs/dbraw/zinc/67/34/19/409673419.db2.gz GQYULLANCYWOAR-NWDGAFQWSA-N 2 1 311.386 -2.121 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659703426 409689997 /nfs/dbraw/zinc/68/99/97/409689997.db2.gz BUXARRWMCVEUAT-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1F ZINC000662964403 409722010 /nfs/dbraw/zinc/72/20/10/409722010.db2.gz AKFKDHLIHBWBSD-IRCOFANPSA-N 2 1 314.361 -1.839 20 0 DAADMP [NH3+]C1(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000662814194 409718209 /nfs/dbraw/zinc/71/82/09/409718209.db2.gz ACSQKBZEBJJFPE-UHFFFAOYSA-N 2 1 302.400 -1.686 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766828 782015934 /nfs/dbraw/zinc/01/59/34/782015934.db2.gz YUQRVYWFUNFSSL-JHJVBQTASA-N 2 1 315.414 -1.361 20 0 DAADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828017 782017610 /nfs/dbraw/zinc/01/76/10/782017610.db2.gz HETGPJYFGMVORB-ZIAGYGMSSA-N 2 1 322.413 -1.076 20 0 DAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828017 782017618 /nfs/dbraw/zinc/01/76/18/782017618.db2.gz HETGPJYFGMVORB-ZIAGYGMSSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828017 782017626 /nfs/dbraw/zinc/01/76/26/782017626.db2.gz HETGPJYFGMVORB-ZIAGYGMSSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828017 782017636 /nfs/dbraw/zinc/01/76/36/782017636.db2.gz HETGPJYFGMVORB-ZIAGYGMSSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001193791842 782016500 /nfs/dbraw/zinc/01/65/00/782016500.db2.gz RCHGBJOZDSRCBH-MGPQQGTHSA-N 2 1 322.413 -1.220 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001193791842 782016510 /nfs/dbraw/zinc/01/65/10/782016510.db2.gz RCHGBJOZDSRCBH-MGPQQGTHSA-N 2 1 322.413 -1.220 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961518 782021798 /nfs/dbraw/zinc/02/17/98/782021798.db2.gz SXODHOSFOBTYGD-DGAVXFQQSA-N 2 1 317.430 -1.259 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026670 782026109 /nfs/dbraw/zinc/02/61/09/782026109.db2.gz IEFGWSYCNVVDQO-LLVKDONJSA-N 2 1 311.386 -1.190 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026670 782026116 /nfs/dbraw/zinc/02/61/16/782026116.db2.gz IEFGWSYCNVVDQO-LLVKDONJSA-N 2 1 311.386 -1.190 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001148 782027499 /nfs/dbraw/zinc/02/74/99/782027499.db2.gz FHEJARMWWIQSDS-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001148 782027505 /nfs/dbraw/zinc/02/75/05/782027505.db2.gz FHEJARMWWIQSDS-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001148 782027512 /nfs/dbraw/zinc/02/75/12/782027512.db2.gz FHEJARMWWIQSDS-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001148 782027518 /nfs/dbraw/zinc/02/75/18/782027518.db2.gz FHEJARMWWIQSDS-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194244007 782032110 /nfs/dbraw/zinc/03/21/10/782032110.db2.gz HFPQIMFRUFBAGR-CHWSQXEVSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194244007 782032118 /nfs/dbraw/zinc/03/21/18/782032118.db2.gz HFPQIMFRUFBAGR-CHWSQXEVSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194244007 782032125 /nfs/dbraw/zinc/03/21/25/782032125.db2.gz HFPQIMFRUFBAGR-CHWSQXEVSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194244007 782032130 /nfs/dbraw/zinc/03/21/30/782032130.db2.gz HFPQIMFRUFBAGR-CHWSQXEVSA-N 2 1 317.430 -1.113 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000332177282 262515919 /nfs/dbraw/zinc/51/59/19/262515919.db2.gz UNBSZZOMEDOLEU-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423474534 263219977 /nfs/dbraw/zinc/21/99/77/263219977.db2.gz REXWHWFWKABOPP-GFCCVEGCSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423474534 263219978 /nfs/dbraw/zinc/21/99/78/263219978.db2.gz REXWHWFWKABOPP-GFCCVEGCSA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419867418 263222237 /nfs/dbraw/zinc/22/22/37/263222237.db2.gz KYIDBCFZTZMGPT-UHFFFAOYSA-N 2 1 323.441 -1.296 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000514825108 263230104 /nfs/dbraw/zinc/23/01/04/263230104.db2.gz RTCHDDIZQLPFJA-CYBMUJFWSA-N 2 1 310.398 -1.273 20 0 DAADMP O=C([C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)N1CC[NH2+]CC1 ZINC000430651301 263233924 /nfs/dbraw/zinc/23/39/24/263233924.db2.gz LLFFTKXESQRFCY-GFCCVEGCSA-N 2 1 323.397 -1.318 20 0 DAADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347174783 263239033 /nfs/dbraw/zinc/23/90/33/263239033.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 1 301.435 -1.154 20 0 DAADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347174783 263239037 /nfs/dbraw/zinc/23/90/37/263239037.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 1 301.435 -1.154 20 0 DAADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CN(C)CCN1C ZINC000347174783 263239044 /nfs/dbraw/zinc/23/90/44/263239044.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 1 301.435 -1.154 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332087860 263244959 /nfs/dbraw/zinc/24/49/59/263244959.db2.gz JDCYAWGFARQCNX-KBPBESRZSA-N 2 1 323.441 -1.345 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332087860 263244963 /nfs/dbraw/zinc/24/49/63/263244963.db2.gz JDCYAWGFARQCNX-KBPBESRZSA-N 2 1 323.441 -1.345 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419702781 263246331 /nfs/dbraw/zinc/24/63/31/263246331.db2.gz BYPJGTOSSOUXJG-RWMBFGLXSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000423464430 263246892 /nfs/dbraw/zinc/24/68/92/263246892.db2.gz LZDHMVPAZWCBSD-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000423464430 263246893 /nfs/dbraw/zinc/24/68/93/263246893.db2.gz LZDHMVPAZWCBSD-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000332177281 263250485 /nfs/dbraw/zinc/25/04/85/263250485.db2.gz UNBSZZOMEDOLEU-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP CN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000331438489 263253611 /nfs/dbraw/zinc/25/36/11/263253611.db2.gz BCEHPKQCBVNUPJ-NDBYEHHHSA-N 2 1 310.398 -1.480 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000419901056 263257597 /nfs/dbraw/zinc/25/75/97/263257597.db2.gz UEGVOSFWCPBXKY-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000419901056 263257599 /nfs/dbraw/zinc/25/75/99/263257599.db2.gz UEGVOSFWCPBXKY-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP C[NH2+]CC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000519401860 263267437 /nfs/dbraw/zinc/26/74/37/263267437.db2.gz KJLPMIBBEXRQLP-UHFFFAOYSA-N 2 1 323.397 -1.220 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466429 263268952 /nfs/dbraw/zinc/26/89/52/263268952.db2.gz NOIISJDGRMQFCQ-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466429 263268955 /nfs/dbraw/zinc/26/89/55/263268955.db2.gz NOIISJDGRMQFCQ-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000419896471 263270798 /nfs/dbraw/zinc/27/07/98/263270798.db2.gz NKMUICYEGAEKTK-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000419896471 263270802 /nfs/dbraw/zinc/27/08/02/263270802.db2.gz NKMUICYEGAEKTK-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423354174 263275293 /nfs/dbraw/zinc/27/52/93/263275293.db2.gz FOZVBZLVAOEHPN-QWHCGFSZSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423354174 263275296 /nfs/dbraw/zinc/27/52/96/263275296.db2.gz FOZVBZLVAOEHPN-QWHCGFSZSA-N 2 1 312.414 -1.029 20 0 DAADMP C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000407984172 263275800 /nfs/dbraw/zinc/27/58/00/263275800.db2.gz WEFRFCYCYCBTTA-CYBMUJFWSA-N 2 1 312.414 -1.325 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](O)[C@@H](O)C2)C1 ZINC000331302663 263277889 /nfs/dbraw/zinc/27/78/89/263277889.db2.gz SHSQCMGVBXCJBX-RDBSUJKOSA-N 2 1 315.414 -1.503 20 0 DAADMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](O)[C@@H](O)C2)C1 ZINC000331302663 263277891 /nfs/dbraw/zinc/27/78/91/263277891.db2.gz SHSQCMGVBXCJBX-RDBSUJKOSA-N 2 1 315.414 -1.503 20 0 DAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000351505060 263278472 /nfs/dbraw/zinc/27/84/72/263278472.db2.gz LOENNUDXIHEWJB-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000351505060 263278475 /nfs/dbraw/zinc/27/84/75/263278475.db2.gz LOENNUDXIHEWJB-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220758 263281777 /nfs/dbraw/zinc/28/17/77/263281777.db2.gz SKZDXTWNAOLCLD-JQWIXIFHSA-N 2 1 323.397 -1.131 20 0 DAADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220758 263281778 /nfs/dbraw/zinc/28/17/78/263281778.db2.gz SKZDXTWNAOLCLD-JQWIXIFHSA-N 2 1 323.397 -1.131 20 0 DAADMP O=C(CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828039 263282325 /nfs/dbraw/zinc/28/23/25/263282325.db2.gz VLPYCVBTRNWUQR-GFCCVEGCSA-N 2 1 323.397 -1.129 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418914482 263289037 /nfs/dbraw/zinc/28/90/37/263289037.db2.gz FSUYFIDPNTXOPK-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C ZINC000332249023 263290087 /nfs/dbraw/zinc/29/00/87/263290087.db2.gz AAYOYINABODJRO-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333695546 263290931 /nfs/dbraw/zinc/29/09/31/263290931.db2.gz QFPKZDOQTKQYIC-SNVBAGLBSA-N 2 1 317.415 -2.023 20 0 DAADMP C[NH2+]CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418306531 263295566 /nfs/dbraw/zinc/29/55/66/263295566.db2.gz KDGMMZZZUABCDJ-UHFFFAOYSA-N 2 1 319.431 -1.775 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000343928734 263298166 /nfs/dbraw/zinc/29/81/66/263298166.db2.gz WKPCKAKZIYKZLU-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CC(C)Nc1nc(NCC[NH+]2CCCC2)nc(NCCO)[nH+]1 ZINC000341828188 263301996 /nfs/dbraw/zinc/30/19/96/263301996.db2.gz XJGTWZYRBJYBIW-UHFFFAOYSA-N 2 1 309.418 -1.131 20 0 DAADMP CCC[NH2+][C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046819 263305542 /nfs/dbraw/zinc/30/55/42/263305542.db2.gz WKOLEIWHXFBENZ-LLVKDONJSA-N 2 1 318.443 -1.180 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000407982492 263310343 /nfs/dbraw/zinc/31/03/43/263310343.db2.gz HHHDEDOBZRMKQB-LLVKDONJSA-N 2 1 304.416 -1.487 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000407982492 263310345 /nfs/dbraw/zinc/31/03/45/263310345.db2.gz HHHDEDOBZRMKQB-LLVKDONJSA-N 2 1 304.416 -1.487 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466436 263325467 /nfs/dbraw/zinc/32/54/67/263325467.db2.gz NOIISJDGRMQFCQ-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466436 263325470 /nfs/dbraw/zinc/32/54/70/263325470.db2.gz NOIISJDGRMQFCQ-NWDGAFQWSA-N 2 1 312.414 -1.150 20 0 DAADMP Cn1c2ncn(CC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000359313361 263325641 /nfs/dbraw/zinc/32/56/41/263325641.db2.gz VUYWVWAXDUJALU-GHMZBOCLSA-N 2 1 318.381 -1.415 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273699623 782069177 /nfs/dbraw/zinc/06/91/77/782069177.db2.gz OBLGWWBCKVRZEM-HNNXBMFYSA-N 2 1 312.414 -1.013 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273699623 782069187 /nfs/dbraw/zinc/06/91/87/782069187.db2.gz OBLGWWBCKVRZEM-HNNXBMFYSA-N 2 1 312.414 -1.013 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273699627 782069617 /nfs/dbraw/zinc/06/96/17/782069617.db2.gz OBLGWWBCKVRZEM-OAHLLOKOSA-N 2 1 312.414 -1.013 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273699627 782069626 /nfs/dbraw/zinc/06/96/26/782069626.db2.gz OBLGWWBCKVRZEM-OAHLLOKOSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195677904 782074407 /nfs/dbraw/zinc/07/44/07/782074407.db2.gz XDZAYDKAXCQVDX-CHWSQXEVSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195677904 782074412 /nfs/dbraw/zinc/07/44/12/782074412.db2.gz XDZAYDKAXCQVDX-CHWSQXEVSA-N 2 1 315.414 -1.502 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701913 782076991 /nfs/dbraw/zinc/07/69/91/782076991.db2.gz SYXKFLYFSKLWHQ-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195859609 782085186 /nfs/dbraw/zinc/08/51/86/782085186.db2.gz LVYWHZQWDHORNL-VXGBXAGGSA-N 2 1 313.402 -1.875 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195859609 782085191 /nfs/dbraw/zinc/08/51/91/782085191.db2.gz LVYWHZQWDHORNL-VXGBXAGGSA-N 2 1 313.402 -1.875 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196167044 782094739 /nfs/dbraw/zinc/09/47/39/782094739.db2.gz AVMZRVOVJCMZNV-MGPQQGTHSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196167044 782094749 /nfs/dbraw/zinc/09/47/49/782094749.db2.gz AVMZRVOVJCMZNV-MGPQQGTHSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001196167044 782094760 /nfs/dbraw/zinc/09/47/60/782094760.db2.gz AVMZRVOVJCMZNV-MGPQQGTHSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001196167044 782094770 /nfs/dbraw/zinc/09/47/70/782094770.db2.gz AVMZRVOVJCMZNV-MGPQQGTHSA-N 2 1 315.414 -1.502 20 0 DAADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000561223415 332426337 /nfs/dbraw/zinc/42/63/37/332426337.db2.gz PVUCCHBIRKBKQO-UONOGXRCSA-N 2 1 313.446 -1.012 20 0 DAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000187986327 333007587 /nfs/dbraw/zinc/00/75/87/333007587.db2.gz NUOLMIYTZUTRBS-RWMBFGLXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196252208 782095668 /nfs/dbraw/zinc/09/56/68/782095668.db2.gz VETTWDVYAVXJRW-BFHYXJOUSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196252208 782095662 /nfs/dbraw/zinc/09/56/62/782095662.db2.gz VETTWDVYAVXJRW-BFHYXJOUSA-N 2 1 315.414 -1.359 20 0 DAADMP COC(=O)CCNC(=O)CN(C)CC(=O)N1CCNCC1 ZINC000563153297 333398184 /nfs/dbraw/zinc/39/81/84/333398184.db2.gz KCDMYUPKUWWWKH-UHFFFAOYSA-N 2 1 300.359 -1.971 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001196276118 782098058 /nfs/dbraw/zinc/09/80/58/782098058.db2.gz LTTOCSQZOHWXPH-FRRDWIJNSA-N 2 1 310.402 -1.220 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001196276118 782098064 /nfs/dbraw/zinc/09/80/64/782098064.db2.gz LTTOCSQZOHWXPH-FRRDWIJNSA-N 2 1 310.402 -1.220 20 0 DAADMP OCC[NH+](CCO)CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251032775 782109360 /nfs/dbraw/zinc/10/93/60/782109360.db2.gz FMLCQSSZKKRWRX-CQSZACIVSA-N 2 1 305.419 -2.054 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000582903931 337213613 /nfs/dbraw/zinc/21/36/13/337213613.db2.gz SDKZYVZXEKFMOE-SNVBAGLBSA-N 2 1 309.374 -1.127 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000582903931 337213614 /nfs/dbraw/zinc/21/36/14/337213614.db2.gz SDKZYVZXEKFMOE-SNVBAGLBSA-N 2 1 309.374 -1.127 20 0 DAADMP CO[C@H](C[NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584410258 337320917 /nfs/dbraw/zinc/32/09/17/337320917.db2.gz VSEGKRYAZDETDE-JTQLQIEISA-N 2 1 320.415 -2.204 20 0 DAADMP CCC[NH2+][C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046820 337730808 /nfs/dbraw/zinc/73/08/08/337730808.db2.gz WKOLEIWHXFBENZ-NSHDSACASA-N 2 1 318.443 -1.180 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000566513526 341560558 /nfs/dbraw/zinc/56/05/58/341560558.db2.gz XSJNJIAVRCUEMN-LBPRGKRZSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953358 782118458 /nfs/dbraw/zinc/11/84/58/782118458.db2.gz CYXDWGAUEGBIGB-JHJVBQTASA-N 2 1 301.387 -1.749 20 0 DAADMP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954445 782117865 /nfs/dbraw/zinc/11/78/65/782117865.db2.gz XZOUTYJVFVRUJF-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954445 782117870 /nfs/dbraw/zinc/11/78/70/782117870.db2.gz XZOUTYJVFVRUJF-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953358 782118460 /nfs/dbraw/zinc/11/84/60/782118460.db2.gz CYXDWGAUEGBIGB-JHJVBQTASA-N 2 1 301.387 -1.749 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001197319661 782128830 /nfs/dbraw/zinc/12/88/30/782128830.db2.gz NMQDCFDDAWFCND-CHWSQXEVSA-N 2 1 301.387 -1.749 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001197319661 782128835 /nfs/dbraw/zinc/12/88/35/782128835.db2.gz NMQDCFDDAWFCND-CHWSQXEVSA-N 2 1 301.387 -1.749 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819862 782141977 /nfs/dbraw/zinc/14/19/77/782141977.db2.gz PJNPTRVMCRYLCL-JHJVBQTASA-N 2 1 313.398 -1.749 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198699684 782160227 /nfs/dbraw/zinc/16/02/27/782160227.db2.gz WSHCYDSBDFEQLO-MGPQQGTHSA-N 2 1 315.414 -1.502 20 0 DAADMP CC(C)([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331947290 519298938 /nfs/dbraw/zinc/29/89/38/519298938.db2.gz HIKINDWBNOWDPS-UHFFFAOYSA-N 2 1 319.431 -1.648 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394460423 545644867 /nfs/dbraw/zinc/64/48/67/545644867.db2.gz QAOUENYHQKSYES-OCCSQVGLSA-N 2 1 311.430 -1.408 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CCN1 ZINC000662953184 545648865 /nfs/dbraw/zinc/64/88/65/545648865.db2.gz LFQZNKZILRKWLX-OLZOCXBDSA-N 2 1 310.398 -1.260 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672004378 545656975 /nfs/dbraw/zinc/65/69/75/545656975.db2.gz BLGCQCUDLQJZRX-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672004378 545656980 /nfs/dbraw/zinc/65/69/80/545656980.db2.gz BLGCQCUDLQJZRX-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672004378 545656988 /nfs/dbraw/zinc/65/69/88/545656988.db2.gz BLGCQCUDLQJZRX-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000351553049 545722318 /nfs/dbraw/zinc/72/23/18/545722318.db2.gz CWVDLUMAPDFNJM-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332103258 545729062 /nfs/dbraw/zinc/72/90/62/545729062.db2.gz HFURWVASCNMOPN-AGIUHOORSA-N 2 1 310.398 -1.526 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332103258 545729066 /nfs/dbraw/zinc/72/90/66/545729066.db2.gz HFURWVASCNMOPN-AGIUHOORSA-N 2 1 310.398 -1.526 20 0 DAADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H](C)[NH3+] ZINC000331995246 545729577 /nfs/dbraw/zinc/72/95/77/545729577.db2.gz PYQMIVFIEAEQFY-VHSXEESVSA-N 2 1 319.431 -1.649 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C ZINC000332249022 545731429 /nfs/dbraw/zinc/73/14/29/545731429.db2.gz AAYOYINABODJRO-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C ZINC000332249022 545731439 /nfs/dbraw/zinc/73/14/39/545731439.db2.gz AAYOYINABODJRO-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419355012 545765843 /nfs/dbraw/zinc/76/58/43/545765843.db2.gz LRCLVYCYACUQLA-TXEJJXNPSA-N 2 1 300.403 -1.110 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418926947 545766384 /nfs/dbraw/zinc/76/63/84/545766384.db2.gz SDNPRSJANZCFBE-RYUDHWBXSA-N 2 1 300.403 -1.077 20 0 DAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000423709703 545772617 /nfs/dbraw/zinc/77/26/17/545772617.db2.gz IXXXYIWIJCTRDQ-BETUJISGSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000423709703 545772618 /nfs/dbraw/zinc/77/26/18/545772618.db2.gz IXXXYIWIJCTRDQ-BETUJISGSA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649335456 545801938 /nfs/dbraw/zinc/80/19/38/545801938.db2.gz DHIVQXOYBBXMNR-BYNSBNAKSA-N 2 1 308.426 -1.026 20 0 DAADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023133 545811221 /nfs/dbraw/zinc/81/12/21/545811221.db2.gz WGXGGGITNCEVIV-RQJABVFESA-N 2 1 324.425 -1.103 20 0 DAADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025332 545811576 /nfs/dbraw/zinc/81/15/76/545811576.db2.gz HFZZPDAHOUCJCB-YVECIDJPSA-N 2 1 310.398 -1.622 20 0 DAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025955 545811602 /nfs/dbraw/zinc/81/16/02/545811602.db2.gz XOMMFTNOMDSFMX-DTWKUNHWSA-N 2 1 306.313 -2.026 20 0 DAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025955 545811607 /nfs/dbraw/zinc/81/16/07/545811607.db2.gz XOMMFTNOMDSFMX-DTWKUNHWSA-N 2 1 306.313 -2.026 20 0 DAADMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022767 545811932 /nfs/dbraw/zinc/81/19/32/545811932.db2.gz LTUUFFRBWMHPQG-FRRDWIJNSA-N 2 1 310.398 -1.478 20 0 DAADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023131 545812059 /nfs/dbraw/zinc/81/20/59/545812059.db2.gz WGXGGGITNCEVIV-FQUUOJAGSA-N 2 1 324.425 -1.103 20 0 DAADMP C[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000656023723 545812134 /nfs/dbraw/zinc/81/21/34/545812134.db2.gz DGMXGUOOAGUMEE-WOSRLPQWSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656068987 545813929 /nfs/dbraw/zinc/81/39/29/545813929.db2.gz MPVOOGCXBMVMDQ-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656085727 545815329 /nfs/dbraw/zinc/81/53/29/545815329.db2.gz MEJYREKPKJSWLV-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085727 545815331 /nfs/dbraw/zinc/81/53/31/545815331.db2.gz MEJYREKPKJSWLV-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085727 545815333 /nfs/dbraw/zinc/81/53/33/545815333.db2.gz MEJYREKPKJSWLV-MELADBBJSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102134 545816123 /nfs/dbraw/zinc/81/61/23/545816123.db2.gz DRZOKNNDZCACPT-NWDGAFQWSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104265 545817389 /nfs/dbraw/zinc/81/73/89/545817389.db2.gz MNACRJKFURLCIR-XDQVBPFNSA-N 2 1 324.425 -1.150 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000656103988 545817669 /nfs/dbraw/zinc/81/76/69/545817669.db2.gz FCMVRXNPVBHMLW-ZENOOKHLSA-N 2 1 322.409 -1.524 20 0 DAADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104547 545818128 /nfs/dbraw/zinc/81/81/28/545818128.db2.gz QFTLRTRSNBOJLF-HZSPNIEDSA-N 2 1 324.425 -1.149 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC000656103699 545818192 /nfs/dbraw/zinc/81/81/92/545818192.db2.gz BKPAWYCTFKBVFV-FVCCEPFGSA-N 2 1 310.398 -1.527 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1 ZINC000656309076 545819520 /nfs/dbraw/zinc/81/95/20/545819520.db2.gz IWTUYBYSMLBESM-FPMFFAJLSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000656309076 545819527 /nfs/dbraw/zinc/81/95/27/545819527.db2.gz IWTUYBYSMLBESM-FPMFFAJLSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000656309076 545819533 /nfs/dbraw/zinc/81/95/33/545819533.db2.gz IWTUYBYSMLBESM-FPMFFAJLSA-N 2 1 324.425 -1.137 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671551792 545838174 /nfs/dbraw/zinc/83/81/74/545838174.db2.gz OENQMEASJZCESY-OAHLLOKOSA-N 2 1 322.413 -1.121 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671551792 545838180 /nfs/dbraw/zinc/83/81/80/545838180.db2.gz OENQMEASJZCESY-OAHLLOKOSA-N 2 1 322.413 -1.121 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672597112 545863659 /nfs/dbraw/zinc/86/36/59/545863659.db2.gz NIQSCNISPYCANN-QWHCGFSZSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672597112 545863664 /nfs/dbraw/zinc/86/36/64/545863664.db2.gz NIQSCNISPYCANN-QWHCGFSZSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672597112 545863668 /nfs/dbraw/zinc/86/36/68/545863668.db2.gz NIQSCNISPYCANN-QWHCGFSZSA-N 2 1 311.430 -1.441 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111737 782171503 /nfs/dbraw/zinc/17/15/03/782171503.db2.gz JUHNQGHTQUSWDN-YNEHKIRRSA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111737 782171507 /nfs/dbraw/zinc/17/15/07/782171507.db2.gz JUHNQGHTQUSWDN-YNEHKIRRSA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111737 782171513 /nfs/dbraw/zinc/17/15/13/782171513.db2.gz JUHNQGHTQUSWDN-YNEHKIRRSA-N 2 1 303.403 -1.505 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923642668 663945056 /nfs/dbraw/zinc/94/50/56/663945056.db2.gz HKFPGMKCYBDYAE-JTQLQIEISA-N 2 1 306.388 -2.027 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020405677 662306585 /nfs/dbraw/zinc/30/65/85/662306585.db2.gz ACHZSXJSKYTNGU-ABISHYOASA-N 2 1 322.409 -1.040 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028540 662311599 /nfs/dbraw/zinc/31/15/99/662311599.db2.gz PWUXNSSJZNSHBE-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028540 662311601 /nfs/dbraw/zinc/31/16/01/662311601.db2.gz PWUXNSSJZNSHBE-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028540 662311603 /nfs/dbraw/zinc/31/16/03/662311603.db2.gz PWUXNSSJZNSHBE-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028540 662311605 /nfs/dbraw/zinc/31/16/05/662311605.db2.gz PWUXNSSJZNSHBE-NEPJUHHUSA-N 2 1 323.397 -1.320 20 0 DAADMP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969409153 662314659 /nfs/dbraw/zinc/31/46/59/662314659.db2.gz ZSEGJUQYJDFQEW-HFXYEQLZSA-N 2 1 308.382 -1.475 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970273537 662355972 /nfs/dbraw/zinc/35/59/72/662355972.db2.gz RIFFQIVXILODNY-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000970713957 662368821 /nfs/dbraw/zinc/36/88/21/662368821.db2.gz AMNOZKQFZGDIII-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928406 662383000 /nfs/dbraw/zinc/38/30/00/662383000.db2.gz PQMAVPXEDZPTMV-XQHKEYJVSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928406 662383002 /nfs/dbraw/zinc/38/30/02/662383002.db2.gz PQMAVPXEDZPTMV-XQHKEYJVSA-N 2 1 310.398 -1.216 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021906366 662383127 /nfs/dbraw/zinc/38/31/27/662383127.db2.gz LMZUHUSIQSGFPU-GRYCIOLGSA-N 2 1 323.397 -1.131 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451677 662392762 /nfs/dbraw/zinc/39/27/62/662392762.db2.gz DVPPLPNTVWNNKI-JEHXAXEVSA-N 2 1 308.382 -1.428 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022451456 662392898 /nfs/dbraw/zinc/39/28/98/662392898.db2.gz ACHZSXJSKYTNGU-NMPGSNNOSA-N 2 1 322.409 -1.040 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022451457 662393063 /nfs/dbraw/zinc/39/30/63/662393063.db2.gz ACHZSXJSKYTNGU-SHKVPVGKSA-N 2 1 322.409 -1.040 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926335899 662396957 /nfs/dbraw/zinc/39/69/57/662396957.db2.gz CFTLJQCQIAFGPI-IOASZLSFSA-N 2 1 324.425 -1.006 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926398481 662403047 /nfs/dbraw/zinc/40/30/47/662403047.db2.gz VSCRNOLMLDJZIV-KGLIPLIRSA-N 2 1 323.441 -1.440 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H](C)[N@H+]1C ZINC000926413400 662405893 /nfs/dbraw/zinc/40/58/93/662405893.db2.gz OSOLPLPCVXJCAR-TYNCELHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H](C)[N@@H+]1C ZINC000926413400 662405898 /nfs/dbraw/zinc/40/58/98/662405898.db2.gz OSOLPLPCVXJCAR-TYNCELHUSA-N 2 1 312.414 -1.150 20 0 DAADMP O=C(Cc1cnc[nH]1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022775636 662405942 /nfs/dbraw/zinc/40/59/42/662405942.db2.gz BFHUHIXICVTCDI-NGZCFLSTSA-N 2 1 305.338 -1.006 20 0 DAADMP O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000091673344 662428313 /nfs/dbraw/zinc/42/83/13/662428313.db2.gz BADQYKHLYJPWOK-VXGBXAGGSA-N 2 1 304.416 -1.411 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023115355 662431416 /nfs/dbraw/zinc/43/14/16/662431416.db2.gz ILLPDEHMJTUTPY-XQHKEYJVSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001023115355 662431417 /nfs/dbraw/zinc/43/14/17/662431417.db2.gz ILLPDEHMJTUTPY-XQHKEYJVSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019772338 662535797 /nfs/dbraw/zinc/53/57/97/662535797.db2.gz AMNOZKQFZGDIII-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145822 662542878 /nfs/dbraw/zinc/54/28/78/662542878.db2.gz MGVOBBGWZXKKLF-DIACKHNESA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145822 662542879 /nfs/dbraw/zinc/54/28/79/662542879.db2.gz MGVOBBGWZXKKLF-DIACKHNESA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145822 662542880 /nfs/dbraw/zinc/54/28/80/662542880.db2.gz MGVOBBGWZXKKLF-DIACKHNESA-N 2 1 320.393 -1.210 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147798 662542888 /nfs/dbraw/zinc/54/28/88/662542888.db2.gz NMIRKYTZLWPBEJ-PDWCTOEPSA-N 2 1 324.425 -1.112 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147883 662542899 /nfs/dbraw/zinc/54/28/99/662542899.db2.gz WPURBSJGZJHCHX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147883 662542901 /nfs/dbraw/zinc/54/29/01/662542901.db2.gz WPURBSJGZJHCHX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147883 662542903 /nfs/dbraw/zinc/54/29/03/662542903.db2.gz WPURBSJGZJHCHX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147883 662542904 /nfs/dbraw/zinc/54/29/04/662542904.db2.gz WPURBSJGZJHCHX-BJJPWKGXSA-N 2 1 322.409 -1.358 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147799 662543182 /nfs/dbraw/zinc/54/31/82/662543182.db2.gz NMIRKYTZLWPBEJ-RGDJUOJXSA-N 2 1 324.425 -1.112 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147886 662543513 /nfs/dbraw/zinc/54/35/13/662543513.db2.gz WPURBSJGZJHCHX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147886 662543516 /nfs/dbraw/zinc/54/35/16/662543516.db2.gz WPURBSJGZJHCHX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147886 662543519 /nfs/dbraw/zinc/54/35/19/662543519.db2.gz WPURBSJGZJHCHX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147886 662543522 /nfs/dbraw/zinc/54/35/22/662543522.db2.gz WPURBSJGZJHCHX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216717 662576486 /nfs/dbraw/zinc/57/64/86/662576486.db2.gz XEOYIFQKVBVOGY-VXGBXAGGSA-N 2 1 322.413 -1.002 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977953399 662607372 /nfs/dbraw/zinc/60/73/72/662607372.db2.gz JHSWAOSMFNNDBS-YIYPIFLZSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977953399 662607374 /nfs/dbraw/zinc/60/73/74/662607374.db2.gz JHSWAOSMFNNDBS-YIYPIFLZSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977953399 662607376 /nfs/dbraw/zinc/60/73/76/662607376.db2.gz JHSWAOSMFNNDBS-YIYPIFLZSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977953399 662607378 /nfs/dbraw/zinc/60/73/78/662607378.db2.gz JHSWAOSMFNNDBS-YIYPIFLZSA-N 2 1 324.425 -1.301 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000983392059 662693794 /nfs/dbraw/zinc/69/37/94/662693794.db2.gz SFPCOLFGMFSFQU-ZDEQEGDKSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000983392059 662693796 /nfs/dbraw/zinc/69/37/96/662693796.db2.gz SFPCOLFGMFSFQU-ZDEQEGDKSA-N 2 1 310.398 -1.310 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)CCO)CC1=O ZINC000925007354 662694268 /nfs/dbraw/zinc/69/42/68/662694268.db2.gz OCYMQHQUZFEGSK-LBPRGKRZSA-N 2 1 300.403 -1.563 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000990571564 662765981 /nfs/dbraw/zinc/76/59/81/662765981.db2.gz VOKAMBDSVWHKKK-OLZOCXBDSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000990571564 662765983 /nfs/dbraw/zinc/76/59/83/662765983.db2.gz VOKAMBDSVWHKKK-OLZOCXBDSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632159 662769613 /nfs/dbraw/zinc/76/96/13/662769613.db2.gz RMBNLJIFKPMBJW-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632159 662769617 /nfs/dbraw/zinc/76/96/17/662769617.db2.gz RMBNLJIFKPMBJW-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990632159 662769619 /nfs/dbraw/zinc/76/96/19/662769619.db2.gz RMBNLJIFKPMBJW-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990632159 662769620 /nfs/dbraw/zinc/76/96/20/662769620.db2.gz RMBNLJIFKPMBJW-WCQYABFASA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685713 662778746 /nfs/dbraw/zinc/77/87/46/662778746.db2.gz VCVDFQKNWPBEMN-DOMZBBRYSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685713 662778747 /nfs/dbraw/zinc/77/87/47/662778747.db2.gz VCVDFQKNWPBEMN-DOMZBBRYSA-N 2 1 312.414 -1.278 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755931 662790328 /nfs/dbraw/zinc/79/03/28/662790328.db2.gz MYEDDKBVDHRMBZ-OLZOCXBDSA-N 2 1 322.409 -1.212 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755931 662790330 /nfs/dbraw/zinc/79/03/30/662790330.db2.gz MYEDDKBVDHRMBZ-OLZOCXBDSA-N 2 1 322.409 -1.212 20 0 DAADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000904337106 662791849 /nfs/dbraw/zinc/79/18/49/662791849.db2.gz NSOFORYPMTUSNU-BETUJISGSA-N 2 1 318.443 -1.082 20 0 DAADMP CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)[C@H](C[NH3+])C1 ZINC000904955906 662792152 /nfs/dbraw/zinc/79/21/52/662792152.db2.gz IMTANUZZQOWKBX-IOASZLSFSA-N 2 1 323.441 -1.502 20 0 DAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000904959113 662792325 /nfs/dbraw/zinc/79/23/25/662792325.db2.gz KJEZIRRACOOGSC-OQMKEHIESA-N 2 1 324.425 -1.029 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904965052 662792794 /nfs/dbraw/zinc/79/27/94/662792794.db2.gz PLCJXHFGSYUDRF-XUJVJEKNSA-N 2 1 310.398 -1.417 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991061 662793382 /nfs/dbraw/zinc/79/33/82/662793382.db2.gz SMMNBVKESZPRSH-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C[C@H]1[NH3+] ZINC000904986940 662793618 /nfs/dbraw/zinc/79/36/18/662793618.db2.gz MBDVWKULVQUMPE-YIYPIFLZSA-N 2 1 324.425 -1.150 20 0 DAADMP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989698 662793658 /nfs/dbraw/zinc/79/36/58/662793658.db2.gz NJBCYYRYFIUQLN-OLZOCXBDSA-N 2 1 310.398 -1.524 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989643 662793708 /nfs/dbraw/zinc/79/37/08/662793708.db2.gz MNJAKSQXIFSVQX-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985348 662793769 /nfs/dbraw/zinc/79/37/69/662793769.db2.gz ACFRJLTULFMHOJ-XQQFMLRXSA-N 2 1 310.398 -1.396 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991064 662794467 /nfs/dbraw/zinc/79/44/67/662794467.db2.gz SMMNBVKESZPRSH-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000905021397 662794848 /nfs/dbraw/zinc/79/48/48/662794848.db2.gz KHULOWLKQZNIRQ-WOSRLPQWSA-N 2 1 324.425 -1.157 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1[NH3+] ZINC000910980082 663135144 /nfs/dbraw/zinc/13/51/44/663135144.db2.gz XWDKPBKSCZCTTC-MWLCHTKSSA-N 2 1 308.386 -1.092 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911029504 663135624 /nfs/dbraw/zinc/13/56/24/663135624.db2.gz CLFSOHBURIDUBO-CJNGLKHVSA-N 2 1 323.441 -1.297 20 0 DAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035310 663135809 /nfs/dbraw/zinc/13/58/09/663135809.db2.gz SQCPAKLMXUZSTL-GFCCVEGCSA-N 2 1 323.441 -1.121 20 0 DAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035310 663135811 /nfs/dbraw/zinc/13/58/11/663135811.db2.gz SQCPAKLMXUZSTL-GFCCVEGCSA-N 2 1 323.441 -1.121 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911031305 663135871 /nfs/dbraw/zinc/13/58/71/663135871.db2.gz PIEROBRLPIUEEG-VXGBXAGGSA-N 2 1 311.430 -1.537 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911029505 663135992 /nfs/dbraw/zinc/13/59/92/663135992.db2.gz CLFSOHBURIDUBO-CZUORRHYSA-N 2 1 323.441 -1.297 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911031301 663136090 /nfs/dbraw/zinc/13/60/90/663136090.db2.gz PIEROBRLPIUEEG-NWDGAFQWSA-N 2 1 311.430 -1.537 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911072701 663136257 /nfs/dbraw/zinc/13/62/57/663136257.db2.gz NDDWIBUIRCVZGQ-AAEUAGOBSA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911147817 663137574 /nfs/dbraw/zinc/13/75/74/663137574.db2.gz JQZFDONIBOBSID-XHJNMGKDSA-N 2 1 322.409 -1.025 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000911147374 663137585 /nfs/dbraw/zinc/13/75/85/663137585.db2.gz QKIVOJNSNVCHMH-CHWSQXEVSA-N 2 1 323.441 -1.251 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1[NH3+] ZINC000911147007 663137699 /nfs/dbraw/zinc/13/76/99/663137699.db2.gz DQNWNVKABWAZLI-FVCCEPFGSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911146269 663137737 /nfs/dbraw/zinc/13/77/37/663137737.db2.gz KPPGGZYHXNBDLH-OCCSQVGLSA-N 2 1 323.441 -1.393 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000911160766 663138052 /nfs/dbraw/zinc/13/80/52/663138052.db2.gz BWDOLHBQTPLCFB-TUAOUCFPSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000911160766 663138056 /nfs/dbraw/zinc/13/80/56/663138056.db2.gz BWDOLHBQTPLCFB-TUAOUCFPSA-N 2 1 312.414 -1.064 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000911185675 663138149 /nfs/dbraw/zinc/13/81/49/663138149.db2.gz BLRNZLZOQIBTMK-OAHLLOKOSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000911160762 663138309 /nfs/dbraw/zinc/13/83/09/663138309.db2.gz BWDOLHBQTPLCFB-QJPTWQEYSA-N 2 1 312.414 -1.064 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000911160762 663138311 /nfs/dbraw/zinc/13/83/11/663138311.db2.gz BWDOLHBQTPLCFB-QJPTWQEYSA-N 2 1 312.414 -1.064 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911158023 663138414 /nfs/dbraw/zinc/13/84/14/663138414.db2.gz YKBRLZIBPSBTPT-UHFFFAOYSA-N 2 1 315.418 -2.298 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161002 663138445 /nfs/dbraw/zinc/13/84/45/663138445.db2.gz CXHKZBFWFIIXLX-VOAKCMCISA-N 2 1 312.414 -1.207 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161002 663138448 /nfs/dbraw/zinc/13/84/48/663138448.db2.gz CXHKZBFWFIIXLX-VOAKCMCISA-N 2 1 312.414 -1.207 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000911161001 663138586 /nfs/dbraw/zinc/13/85/86/663138586.db2.gz CXHKZBFWFIIXLX-NDBYEHHHSA-N 2 1 312.414 -1.207 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161001 663138589 /nfs/dbraw/zinc/13/85/89/663138589.db2.gz CXHKZBFWFIIXLX-NDBYEHHHSA-N 2 1 312.414 -1.207 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911222742 663139371 /nfs/dbraw/zinc/13/93/71/663139371.db2.gz HKALTRXQRBZUCL-CZUORRHYSA-N 2 1 324.425 -1.101 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911239890 663139507 /nfs/dbraw/zinc/13/95/07/663139507.db2.gz FKLBSGNDMGPNDT-NWDGAFQWSA-N 2 1 312.414 -1.063 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911222740 663139666 /nfs/dbraw/zinc/13/96/66/663139666.db2.gz HKALTRXQRBZUCL-CJNGLKHVSA-N 2 1 324.425 -1.101 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911239891 663139755 /nfs/dbraw/zinc/13/97/55/663139755.db2.gz FKLBSGNDMGPNDT-RYUDHWBXSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000911204514 663139825 /nfs/dbraw/zinc/13/98/25/663139825.db2.gz FMCILTGWZWHUFK-LBPRGKRZSA-N 2 1 311.430 -1.393 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000911222743 663139901 /nfs/dbraw/zinc/13/99/01/663139901.db2.gz HKALTRXQRBZUCL-XJKSGUPXSA-N 2 1 324.425 -1.101 20 0 DAADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911271279 663140024 /nfs/dbraw/zinc/14/00/24/663140024.db2.gz ZUDFVXYTVHYMSP-STQMWFEESA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911269551 663140177 /nfs/dbraw/zinc/14/01/77/663140177.db2.gz LMMMQVSTRSSUHI-UONOGXRCSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911247862 663140200 /nfs/dbraw/zinc/14/02/00/663140200.db2.gz SPONLAKTKBUSST-UONOGXRCSA-N 2 1 324.425 -1.107 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911275061 663140523 /nfs/dbraw/zinc/14/05/23/663140523.db2.gz UJQODLIBDZVQBK-AGIUHOORSA-N 2 1 310.398 -1.478 20 0 DAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911292127 663141134 /nfs/dbraw/zinc/14/11/34/663141134.db2.gz PAZTZDQYPJBBQO-AGIUHOORSA-N 2 1 312.414 -1.245 20 0 DAADMP CCO[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[NH+](C)C ZINC000911304256 663141474 /nfs/dbraw/zinc/14/14/74/663141474.db2.gz BNDRUAFLAZKAEE-VIFPVBQESA-N 2 1 310.345 -1.221 20 0 DAADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911282475 663141520 /nfs/dbraw/zinc/14/15/20/663141520.db2.gz QZZWKCUTDWZGRR-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282986 663141697 /nfs/dbraw/zinc/14/16/97/663141697.db2.gz FPROWPDVGUUCPL-ZIAGYGMSSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000911311261 663141773 /nfs/dbraw/zinc/14/17/73/663141773.db2.gz QOMUCRJDHCRFEZ-JMSVASOKSA-N 2 1 310.398 -1.499 20 0 DAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911327309 663141798 /nfs/dbraw/zinc/14/17/98/663141798.db2.gz UJQODLIBDZVQBK-RWMBFGLXSA-N 2 1 310.398 -1.478 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911305507 663141842 /nfs/dbraw/zinc/14/18/42/663141842.db2.gz HMLLSJDVMZYPFF-SWLSCSKDSA-N 2 1 312.414 -1.251 20 0 DAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000911312072 663142048 /nfs/dbraw/zinc/14/20/48/663142048.db2.gz UHWYAUKPTDNEDT-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911338082 663142201 /nfs/dbraw/zinc/14/22/01/663142201.db2.gz XLNLSBODNOMAKU-CYBMUJFWSA-N 2 1 311.430 -1.392 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911348732 663142380 /nfs/dbraw/zinc/14/23/80/663142380.db2.gz REKAZMTVBQZBQU-DGAVXFQQSA-N 2 1 324.425 -1.089 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911337784 663142442 /nfs/dbraw/zinc/14/24/42/663142442.db2.gz WHHIQJKLUGQPPY-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911337783 663142500 /nfs/dbraw/zinc/14/25/00/663142500.db2.gz WHHIQJKLUGQPPY-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000911346899 663142965 /nfs/dbraw/zinc/14/29/65/663142965.db2.gz RSJZREZGTSZVRM-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000911346898 663143175 /nfs/dbraw/zinc/14/31/75/663143175.db2.gz RSJZREZGTSZVRM-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411527 663143915 /nfs/dbraw/zinc/14/39/15/663143915.db2.gz PPPOWHNHWGQGOQ-ZDUSSCGKSA-N 2 1 311.430 -1.264 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000911504520 663147494 /nfs/dbraw/zinc/14/74/94/663147494.db2.gz ZVYJCFPEYGWJFL-GFCCVEGCSA-N 2 1 310.398 -1.225 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1=O ZINC000911871731 663151110 /nfs/dbraw/zinc/15/11/10/663151110.db2.gz GSRDQGAJPKCMBO-SWLSCSKDSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1=O ZINC000911871731 663151112 /nfs/dbraw/zinc/15/11/12/663151112.db2.gz GSRDQGAJPKCMBO-SWLSCSKDSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1=O ZINC000911871732 663151174 /nfs/dbraw/zinc/15/11/74/663151174.db2.gz GSRDQGAJPKCMBO-WFASDCNBSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1=O ZINC000911871732 663151180 /nfs/dbraw/zinc/15/11/80/663151180.db2.gz GSRDQGAJPKCMBO-WFASDCNBSA-N 2 1 312.414 -1.326 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913196016 663156484 /nfs/dbraw/zinc/15/64/84/663156484.db2.gz KKTHLFZWBQUPAV-OAHLLOKOSA-N 2 1 315.414 -1.188 20 0 DAADMP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196914 663156744 /nfs/dbraw/zinc/15/67/44/663156744.db2.gz VFRQIRYEWFHLQR-KGLIPLIRSA-N 2 1 301.387 -1.700 20 0 DAADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196914 663156747 /nfs/dbraw/zinc/15/67/47/663156747.db2.gz VFRQIRYEWFHLQR-KGLIPLIRSA-N 2 1 301.387 -1.700 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000991729103 663188761 /nfs/dbraw/zinc/18/87/61/663188761.db2.gz OCVQUFJYFCPLRJ-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000991729103 663188762 /nfs/dbraw/zinc/18/87/62/663188762.db2.gz OCVQUFJYFCPLRJ-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000991729103 663188764 /nfs/dbraw/zinc/18/87/64/663188764.db2.gz OCVQUFJYFCPLRJ-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000991729103 663188765 /nfs/dbraw/zinc/18/87/65/663188765.db2.gz OCVQUFJYFCPLRJ-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915904 663238489 /nfs/dbraw/zinc/23/84/89/663238489.db2.gz SBLANKNWEMWLMS-FRRDWIJNSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915904 663238494 /nfs/dbraw/zinc/23/84/94/663238494.db2.gz SBLANKNWEMWLMS-FRRDWIJNSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000913915904 663238497 /nfs/dbraw/zinc/23/84/97/663238497.db2.gz SBLANKNWEMWLMS-FRRDWIJNSA-N 2 1 312.414 -1.232 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000992599042 663241412 /nfs/dbraw/zinc/24/14/12/663241412.db2.gz LDTZHEMFWNKURP-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000992599042 663241415 /nfs/dbraw/zinc/24/14/15/663241415.db2.gz LDTZHEMFWNKURP-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000992599042 663241420 /nfs/dbraw/zinc/24/14/20/663241420.db2.gz LDTZHEMFWNKURP-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599042 663241423 /nfs/dbraw/zinc/24/14/23/663241423.db2.gz LDTZHEMFWNKURP-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CS(=O)(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261964627 663241482 /nfs/dbraw/zinc/24/14/82/663241482.db2.gz AVJXTPOZRQQJRT-UHFFFAOYSA-N 2 1 318.443 -1.224 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882032 663258776 /nfs/dbraw/zinc/25/87/76/663258776.db2.gz POQHVHWPTJAWMQ-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882032 663258780 /nfs/dbraw/zinc/25/87/80/663258780.db2.gz POQHVHWPTJAWMQ-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000929882032 663258782 /nfs/dbraw/zinc/25/87/82/663258782.db2.gz POQHVHWPTJAWMQ-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882032 663258785 /nfs/dbraw/zinc/25/87/85/663258785.db2.gz POQHVHWPTJAWMQ-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000994845614 663323138 /nfs/dbraw/zinc/32/31/38/663323138.db2.gz RBAFVCPEFSERIV-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)O1 ZINC000994845614 663323141 /nfs/dbraw/zinc/32/31/41/663323141.db2.gz RBAFVCPEFSERIV-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000994845614 663323143 /nfs/dbraw/zinc/32/31/43/663323143.db2.gz RBAFVCPEFSERIV-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000994845614 663323148 /nfs/dbraw/zinc/32/31/48/663323148.db2.gz RBAFVCPEFSERIV-MBNYWOFBSA-N 2 1 324.425 -1.016 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001032186853 663445478 /nfs/dbraw/zinc/44/54/78/663445478.db2.gz YGZXQSCRZNZCLZ-LBPRGKRZSA-N 2 1 323.397 -1.462 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001032186853 663445481 /nfs/dbraw/zinc/44/54/81/663445481.db2.gz YGZXQSCRZNZCLZ-LBPRGKRZSA-N 2 1 323.397 -1.462 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432885 663486486 /nfs/dbraw/zinc/48/64/86/663486486.db2.gz FVXITNYDAFDWAH-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432885 663486491 /nfs/dbraw/zinc/48/64/91/663486491.db2.gz FVXITNYDAFDWAH-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000996432885 663486494 /nfs/dbraw/zinc/48/64/94/663486494.db2.gz FVXITNYDAFDWAH-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000996432885 663486499 /nfs/dbraw/zinc/48/64/99/663486499.db2.gz FVXITNYDAFDWAH-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996622943 663489900 /nfs/dbraw/zinc/48/99/00/663489900.db2.gz TYXQHACWHJBRRL-QWHCGFSZSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996622934 663489907 /nfs/dbraw/zinc/48/99/07/663489907.db2.gz TYXQHACWHJBRRL-OLZOCXBDSA-N 2 1 310.398 -1.085 20 0 DAADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1 ZINC000999142952 663556395 /nfs/dbraw/zinc/55/63/95/663556395.db2.gz IGFXUJBKZSBHBC-PCPABOIYSA-N 2 1 322.409 -1.086 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001297872 663599755 /nfs/dbraw/zinc/59/97/55/663599755.db2.gz URJPZGFVOKJBLH-ZIAGYGMSSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001297872 663599759 /nfs/dbraw/zinc/59/97/59/663599759.db2.gz URJPZGFVOKJBLH-ZIAGYGMSSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297872 663599762 /nfs/dbraw/zinc/59/97/62/663599762.db2.gz URJPZGFVOKJBLH-ZIAGYGMSSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297872 663599765 /nfs/dbraw/zinc/59/97/65/663599765.db2.gz URJPZGFVOKJBLH-ZIAGYGMSSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977301 663611678 /nfs/dbraw/zinc/61/16/78/663611678.db2.gz MGVICGBEVGHNTO-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977301 663611680 /nfs/dbraw/zinc/61/16/80/663611680.db2.gz MGVICGBEVGHNTO-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001977301 663611683 /nfs/dbraw/zinc/61/16/83/663611683.db2.gz MGVICGBEVGHNTO-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001977301 663611686 /nfs/dbraw/zinc/61/16/86/663611686.db2.gz MGVICGBEVGHNTO-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112904 663621903 /nfs/dbraw/zinc/62/19/03/663621903.db2.gz UNTWWTWORCJSIN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112904 663621907 /nfs/dbraw/zinc/62/19/07/663621907.db2.gz UNTWWTWORCJSIN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[NH+](C)C[C@H](C(=O)NCC[N@H+](C)CCOCCO)O1 ZINC000922112904 663621910 /nfs/dbraw/zinc/62/19/10/663621910.db2.gz UNTWWTWORCJSIN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[NH+](C)C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112904 663621915 /nfs/dbraw/zinc/62/19/15/663621915.db2.gz UNTWWTWORCJSIN-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[N@@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)CCOCCO ZINC000922110125 663622096 /nfs/dbraw/zinc/62/20/96/663622096.db2.gz WYXJZQKLVPLXDP-OCCSQVGLSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)CCOCCO ZINC000922110125 663622097 /nfs/dbraw/zinc/62/20/97/663622097.db2.gz WYXJZQKLVPLXDP-OCCSQVGLSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)CCOCCO ZINC000922110125 663622098 /nfs/dbraw/zinc/62/20/98/663622098.db2.gz WYXJZQKLVPLXDP-OCCSQVGLSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCOCCO)C1 ZINC000922119296 663622132 /nfs/dbraw/zinc/62/21/32/663622132.db2.gz NLSRLDVOQUQEQR-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCOCCO)C1 ZINC000922119296 663622136 /nfs/dbraw/zinc/62/21/36/663622136.db2.gz NLSRLDVOQUQEQR-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCOCCO)C1 ZINC000922119296 663622138 /nfs/dbraw/zinc/62/21/38/663622138.db2.gz NLSRLDVOQUQEQR-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CCOCCO)C1 ZINC000922119296 663622143 /nfs/dbraw/zinc/62/21/43/663622143.db2.gz NLSRLDVOQUQEQR-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP C[N@@H+](CCNC(=O)C[C@]1(O)CCC[NH+](C)C1)CCOCCO ZINC000922129232 663622922 /nfs/dbraw/zinc/62/29/22/663622922.db2.gz POGJSGQIJISGDE-OAHLLOKOSA-N 2 1 317.430 -1.110 20 0 DAADMP C[NH+](CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1)CCOCCO ZINC000922129232 663622923 /nfs/dbraw/zinc/62/29/23/663622923.db2.gz POGJSGQIJISGDE-OAHLLOKOSA-N 2 1 317.430 -1.110 20 0 DAADMP C[NH+](CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)CCOCCO ZINC000922129232 663622926 /nfs/dbraw/zinc/62/29/26/663622926.db2.gz POGJSGQIJISGDE-OAHLLOKOSA-N 2 1 317.430 -1.110 20 0 DAADMP O=S(=O)(C1CN(CC[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923436468 663697293 /nfs/dbraw/zinc/69/72/93/663697293.db2.gz GTLNFWBBQOYKJV-LBPRGKRZSA-N 2 1 302.444 -1.095 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918724 663698542 /nfs/dbraw/zinc/69/85/42/663698542.db2.gz PXYPOZOLUMZDQY-QWHCGFSZSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164737 663876901 /nfs/dbraw/zinc/87/69/01/663876901.db2.gz NZJATXPEHKTLQH-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842163901 663877104 /nfs/dbraw/zinc/87/71/04/663877104.db2.gz ALCMVLBGMGVJHQ-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164731 663877238 /nfs/dbraw/zinc/87/72/38/663877238.db2.gz NZJATXPEHKTLQH-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842163896 663877269 /nfs/dbraw/zinc/87/72/69/663877269.db2.gz ALCMVLBGMGVJHQ-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848637413 663892303 /nfs/dbraw/zinc/89/23/03/663892303.db2.gz PTUCGCQCFOULDM-FRRDWIJNSA-N 2 1 310.398 -1.539 20 0 DAADMP CN(C)S(=O)(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849085394 663892878 /nfs/dbraw/zinc/89/28/78/663892878.db2.gz MTVSSDFMTZUYCM-UHFFFAOYSA-N 2 1 321.447 -1.286 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861756034 663918835 /nfs/dbraw/zinc/91/88/35/663918835.db2.gz SLSAPURVKXFPGA-ZDEQEGDKSA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000863765443 663926640 /nfs/dbraw/zinc/92/66/40/663926640.db2.gz QHIOREYJSAJVLO-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604200 663932865 /nfs/dbraw/zinc/93/28/65/663932865.db2.gz DAFKIRNYWZCULD-LBPRGKRZSA-N 2 1 306.432 -1.163 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[C@H](C[NH3+])C1 ZINC000868385673 663934154 /nfs/dbraw/zinc/93/41/54/663934154.db2.gz WRIBAGSXLFVMRI-BFHYXJOUSA-N 2 1 323.441 -1.360 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC[C@@H]21 ZINC000868387368 663934184 /nfs/dbraw/zinc/93/41/84/663934184.db2.gz BORWFQRWJZOABY-UPJWGTAASA-N 2 1 310.398 -1.275 20 0 DAADMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000868419054 663934259 /nfs/dbraw/zinc/93/42/59/663934259.db2.gz UJKSOSVKVFCCNB-CRWXNKLISA-N 2 1 322.409 -1.383 20 0 DAADMP O=C1COC[C@]2(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872232821 663939102 /nfs/dbraw/zinc/93/91/02/663939102.db2.gz HNLMBQUAOAKXEZ-HIFRSBDPSA-N 2 1 313.398 -1.340 20 0 DAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923639918 663943955 /nfs/dbraw/zinc/94/39/55/663943955.db2.gz GPTNSYTZIFJDRH-LBPRGKRZSA-N 2 1 303.432 -1.884 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876754060 663947718 /nfs/dbraw/zinc/94/77/18/663947718.db2.gz AXMHGFYQPWSJLL-OCCSQVGLSA-N 2 1 301.387 -1.172 20 0 DAADMP COC[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000876890503 663948638 /nfs/dbraw/zinc/94/86/38/663948638.db2.gz APNHEZZGATUNHW-AWEZNQCLSA-N 2 1 301.387 -1.170 20 0 DAADMP COC[C@]1(C(=O)NCC[N@H+]2CCCOCC2)C[NH2+]CCO1 ZINC000876890503 663948640 /nfs/dbraw/zinc/94/86/40/663948640.db2.gz APNHEZZGATUNHW-AWEZNQCLSA-N 2 1 301.387 -1.170 20 0 DAADMP COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000876971889 663949669 /nfs/dbraw/zinc/94/96/69/663949669.db2.gz FMESZWCBMKSWEE-ZFWWWQNUSA-N 2 1 312.414 -1.503 20 0 DAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884560239 663964504 /nfs/dbraw/zinc/96/45/04/663964504.db2.gz RLRTZOUCWCMZRV-FRRDWIJNSA-N 2 1 310.398 -1.085 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571797 663964757 /nfs/dbraw/zinc/96/47/57/663964757.db2.gz YEYQFQKZSUMGPO-LPWJVIDDSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571797 663964761 /nfs/dbraw/zinc/96/47/61/663964761.db2.gz YEYQFQKZSUMGPO-LPWJVIDDSA-N 2 1 312.414 -1.125 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884560356 663964928 /nfs/dbraw/zinc/96/49/28/663964928.db2.gz VOTVVUSGUCXIBE-RNJOBUHISA-N 2 1 308.382 -1.462 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884560495 663965088 /nfs/dbraw/zinc/96/50/88/663965088.db2.gz YTYQSYJMOSIEIB-XJFOESAGSA-N 2 1 322.409 -1.071 20 0 DAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C ZINC000884507904 663965250 /nfs/dbraw/zinc/96/52/50/663965250.db2.gz PNHNYGHKCGPNIM-STQMWFEESA-N 2 1 323.441 -1.299 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000884725398 663966266 /nfs/dbraw/zinc/96/62/66/663966266.db2.gz IKWHWFYNKBGIJM-UPJWGTAASA-N 2 1 310.398 -1.356 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926331106 663982372 /nfs/dbraw/zinc/98/23/72/663982372.db2.gz GEOSLARVQXSPCE-FDYHWXHSSA-N 2 1 312.414 -1.295 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C ZINC000926331106 663982384 /nfs/dbraw/zinc/98/23/84/663982384.db2.gz GEOSLARVQXSPCE-FDYHWXHSSA-N 2 1 312.414 -1.295 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000926338863 663982422 /nfs/dbraw/zinc/98/24/22/663982422.db2.gz YGKSZXXPCQDOFQ-INIZCTEOSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000926319136 663982753 /nfs/dbraw/zinc/98/27/53/663982753.db2.gz DREDDASXOMROFQ-CJNGLKHVSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000926319136 663982763 /nfs/dbraw/zinc/98/27/63/663982763.db2.gz DREDDASXOMROFQ-CJNGLKHVSA-N 2 1 324.425 -1.005 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926362293 663983337 /nfs/dbraw/zinc/98/33/37/663983337.db2.gz ZJEBSWHMSFUJJZ-UHFFFAOYSA-N 2 1 311.430 -1.440 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426937 663984045 /nfs/dbraw/zinc/98/40/45/663984045.db2.gz ATKNTMYPDYRVPG-LOWDOPEQSA-N 2 1 310.398 -1.765 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926440525 663984166 /nfs/dbraw/zinc/98/41/66/663984166.db2.gz SAGICOQKJRMQHN-XJKCOSOUSA-N 2 1 324.425 -1.088 20 0 DAADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929526708 663988636 /nfs/dbraw/zinc/98/86/36/663988636.db2.gz VZKBIKFWUIBIRJ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929526708 663988639 /nfs/dbraw/zinc/98/86/39/663988639.db2.gz VZKBIKFWUIBIRJ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929526708 663988641 /nfs/dbraw/zinc/98/86/41/663988641.db2.gz VZKBIKFWUIBIRJ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929526708 663988643 /nfs/dbraw/zinc/98/86/43/663988643.db2.gz VZKBIKFWUIBIRJ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000931885018 663997785 /nfs/dbraw/zinc/99/77/85/663997785.db2.gz BRQYQPPAZOSRHN-KBPBESRZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000931885018 663997787 /nfs/dbraw/zinc/99/77/87/663997787.db2.gz BRQYQPPAZOSRHN-KBPBESRZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931885018 663997789 /nfs/dbraw/zinc/99/77/89/663997789.db2.gz BRQYQPPAZOSRHN-KBPBESRZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931885018 663997790 /nfs/dbraw/zinc/99/77/90/663997790.db2.gz BRQYQPPAZOSRHN-KBPBESRZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932950612 664000092 /nfs/dbraw/zinc/00/00/92/664000092.db2.gz REHSLNTXJCEZBY-GFCCVEGCSA-N 2 1 318.443 -1.239 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932950612 664000096 /nfs/dbraw/zinc/00/00/96/664000096.db2.gz REHSLNTXJCEZBY-GFCCVEGCSA-N 2 1 318.443 -1.239 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932950614 664000353 /nfs/dbraw/zinc/00/03/53/664000353.db2.gz REHSLNTXJCEZBY-LBPRGKRZSA-N 2 1 318.443 -1.239 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932950614 664000356 /nfs/dbraw/zinc/00/03/56/664000356.db2.gz REHSLNTXJCEZBY-LBPRGKRZSA-N 2 1 318.443 -1.239 20 0 DAADMP NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171817 664242020 /nfs/dbraw/zinc/24/20/20/664242020.db2.gz MWARMZUONVMCRQ-CHWSQXEVSA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171817 664242022 /nfs/dbraw/zinc/24/20/22/664242022.db2.gz MWARMZUONVMCRQ-CHWSQXEVSA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214469 664248417 /nfs/dbraw/zinc/24/84/17/664248417.db2.gz IARQRAYCXVOGHR-VXGBXAGGSA-N 2 1 310.398 -1.491 20 0 DAADMP NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214469 664248418 /nfs/dbraw/zinc/24/84/18/664248418.db2.gz IARQRAYCXVOGHR-VXGBXAGGSA-N 2 1 310.398 -1.491 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961277853 664336605 /nfs/dbraw/zinc/33/66/05/664336605.db2.gz GNGPTSKDUYYEOE-TUQRTLLNSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961277853 664336608 /nfs/dbraw/zinc/33/66/08/664336608.db2.gz GNGPTSKDUYYEOE-TUQRTLLNSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961277853 664336609 /nfs/dbraw/zinc/33/66/09/664336609.db2.gz GNGPTSKDUYYEOE-TUQRTLLNSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961277853 664336611 /nfs/dbraw/zinc/33/66/11/664336611.db2.gz GNGPTSKDUYYEOE-TUQRTLLNSA-N 2 1 320.393 -1.619 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000961963500 664363469 /nfs/dbraw/zinc/36/34/69/664363469.db2.gz GHFWFNKOEMGEIZ-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000963653737 664394019 /nfs/dbraw/zinc/39/40/19/664394019.db2.gz OXJODZSMKNFQSP-WAQQSHLVSA-N 2 1 310.398 -1.181 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000963653737 664394020 /nfs/dbraw/zinc/39/40/20/664394020.db2.gz OXJODZSMKNFQSP-WAQQSHLVSA-N 2 1 310.398 -1.181 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)O1 ZINC000969071779 664489928 /nfs/dbraw/zinc/48/99/28/664489928.db2.gz FVXDHRGAFLETHV-IJLUTSLNSA-N 2 1 323.401 -1.380 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)O1 ZINC000969071779 664489930 /nfs/dbraw/zinc/48/99/30/664489930.db2.gz FVXDHRGAFLETHV-IJLUTSLNSA-N 2 1 323.401 -1.380 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383732 664515106 /nfs/dbraw/zinc/51/51/06/664515106.db2.gz YGBPYOHFAGKVTJ-VXGBXAGGSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383732 664515108 /nfs/dbraw/zinc/51/51/08/664515108.db2.gz YGBPYOHFAGKVTJ-VXGBXAGGSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383732 664515110 /nfs/dbraw/zinc/51/51/10/664515110.db2.gz YGBPYOHFAGKVTJ-VXGBXAGGSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383732 664515111 /nfs/dbraw/zinc/51/51/11/664515111.db2.gz YGBPYOHFAGKVTJ-VXGBXAGGSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256610 664572934 /nfs/dbraw/zinc/57/29/34/664572934.db2.gz RZFBCUKCPCSYPK-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256610 664572936 /nfs/dbraw/zinc/57/29/36/664572936.db2.gz RZFBCUKCPCSYPK-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256610 664572938 /nfs/dbraw/zinc/57/29/38/664572938.db2.gz RZFBCUKCPCSYPK-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001016256610 664572939 /nfs/dbraw/zinc/57/29/39/664572939.db2.gz RZFBCUKCPCSYPK-KGLIPLIRSA-N 2 1 324.425 -1.013 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019518527 664601898 /nfs/dbraw/zinc/60/18/98/664601898.db2.gz RIFFQIVXILODNY-QWHCGFSZSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020045474 664608203 /nfs/dbraw/zinc/60/82/03/664608203.db2.gz CAVKPYXJEMUPLY-ZDEQEGDKSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020045474 664608204 /nfs/dbraw/zinc/60/82/04/664608204.db2.gz CAVKPYXJEMUPLY-ZDEQEGDKSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCSC1 ZINC000913183359 677823183 /nfs/dbraw/zinc/82/31/83/677823183.db2.gz PKJPKZHRQZFMCQ-DGCLKSJQSA-N 2 1 303.428 -1.109 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCSC1 ZINC000913183359 677823186 /nfs/dbraw/zinc/82/31/86/677823186.db2.gz PKJPKZHRQZFMCQ-DGCLKSJQSA-N 2 1 303.428 -1.109 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC001082653344 678118366 /nfs/dbraw/zinc/11/83/66/678118366.db2.gz GLQSHHNSUVWDKE-RYMLTCQSSA-N 2 1 322.409 -1.229 20 0 DAADMP CN(C)C(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274594 677684310 /nfs/dbraw/zinc/68/43/10/677684310.db2.gz RGKPIBLPJNGSLD-HZSPNIEDSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C)C(=O)CN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274595 677684419 /nfs/dbraw/zinc/68/44/19/677684419.db2.gz RGKPIBLPJNGSLD-MELADBBJSA-N 2 1 324.425 -1.062 20 0 DAADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000911136713 677815242 /nfs/dbraw/zinc/81/52/42/677815242.db2.gz BTSWPRNAVHIRGS-JHJVBQTASA-N 2 1 312.414 -1.076 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007231 677902949 /nfs/dbraw/zinc/90/29/49/677902949.db2.gz MWCMIXQIAPPTKH-BFHYXJOUSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007231 677902950 /nfs/dbraw/zinc/90/29/50/677902950.db2.gz MWCMIXQIAPPTKH-BFHYXJOUSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007231 677902953 /nfs/dbraw/zinc/90/29/53/677902953.db2.gz MWCMIXQIAPPTKH-BFHYXJOUSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078007231 677902957 /nfs/dbraw/zinc/90/29/57/677902957.db2.gz MWCMIXQIAPPTKH-BFHYXJOUSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174559 677916936 /nfs/dbraw/zinc/91/69/36/677916936.db2.gz PEEZOAIMHXSWGO-BFHYXJOUSA-N 2 1 307.398 -1.004 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174559 677916940 /nfs/dbraw/zinc/91/69/40/677916940.db2.gz PEEZOAIMHXSWGO-BFHYXJOUSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174559 677916944 /nfs/dbraw/zinc/91/69/44/677916944.db2.gz PEEZOAIMHXSWGO-BFHYXJOUSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174559 677916947 /nfs/dbraw/zinc/91/69/47/677916947.db2.gz PEEZOAIMHXSWGO-BFHYXJOUSA-N 2 1 307.398 -1.004 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001082559060 678118117 /nfs/dbraw/zinc/11/81/17/678118117.db2.gz RFFFSBQSCVGYIY-UPJWGTAASA-N 2 1 322.413 -1.265 20 0 DAADMP NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760977 678163560 /nfs/dbraw/zinc/16/35/60/678163560.db2.gz XJHZGHIUEFIAPA-CHWSQXEVSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760977 678163561 /nfs/dbraw/zinc/16/35/61/678163561.db2.gz XJHZGHIUEFIAPA-CHWSQXEVSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760977 678163562 /nfs/dbraw/zinc/16/35/62/678163562.db2.gz XJHZGHIUEFIAPA-CHWSQXEVSA-N 2 1 322.409 -1.131 20 0 DAADMP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760977 678163563 /nfs/dbraw/zinc/16/35/63/678163563.db2.gz XJHZGHIUEFIAPA-CHWSQXEVSA-N 2 1 322.409 -1.131 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564084 678173979 /nfs/dbraw/zinc/17/39/79/678173979.db2.gz QKEFCVYYOAKRSX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564084 678173981 /nfs/dbraw/zinc/17/39/81/678173981.db2.gz QKEFCVYYOAKRSX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073564084 678173982 /nfs/dbraw/zinc/17/39/82/678173982.db2.gz QKEFCVYYOAKRSX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564084 678173984 /nfs/dbraw/zinc/17/39/84/678173984.db2.gz QKEFCVYYOAKRSX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896322 678182880 /nfs/dbraw/zinc/18/28/80/678182880.db2.gz PUQRQXOXAWKZEU-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896322 678182883 /nfs/dbraw/zinc/18/28/83/678182883.db2.gz PUQRQXOXAWKZEU-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073896322 678182886 /nfs/dbraw/zinc/18/28/86/678182886.db2.gz PUQRQXOXAWKZEU-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896322 678182890 /nfs/dbraw/zinc/18/28/90/678182890.db2.gz PUQRQXOXAWKZEU-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091503 678314308 /nfs/dbraw/zinc/31/43/08/678314308.db2.gz BJFWLYLGRKDWHS-QWHCGFSZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091503 678314310 /nfs/dbraw/zinc/31/43/10/678314310.db2.gz BJFWLYLGRKDWHS-QWHCGFSZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042091503 678314314 /nfs/dbraw/zinc/31/43/14/678314314.db2.gz BJFWLYLGRKDWHS-QWHCGFSZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091499 678314562 /nfs/dbraw/zinc/31/45/62/678314562.db2.gz BJFWLYLGRKDWHS-CHWSQXEVSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091499 678314565 /nfs/dbraw/zinc/31/45/65/678314565.db2.gz BJFWLYLGRKDWHS-CHWSQXEVSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042091499 678314571 /nfs/dbraw/zinc/31/45/71/678314571.db2.gz BJFWLYLGRKDWHS-CHWSQXEVSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115886 678366220 /nfs/dbraw/zinc/36/62/20/678366220.db2.gz KXWCCIAPKJPTDB-LBPRGKRZSA-N 2 1 312.414 -1.421 20 0 DAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001045710132 678469462 /nfs/dbraw/zinc/46/94/62/678469462.db2.gz CFSRASHIXJVUDT-LBPRGKRZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900171083 678471347 /nfs/dbraw/zinc/47/13/47/678471347.db2.gz GQPUFTZCIFPCBQ-IUODEOHRSA-N 2 1 312.414 -1.326 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082921 678477285 /nfs/dbraw/zinc/47/72/85/678477285.db2.gz YFRSJWRCLSVABN-AWEZNQCLSA-N 2 1 323.441 -1.214 20 0 DAADMP NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082921 678477289 /nfs/dbraw/zinc/47/72/89/678477289.db2.gz YFRSJWRCLSVABN-AWEZNQCLSA-N 2 1 323.441 -1.214 20 0 DAADMP C[C@@]1(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1 ZINC001046501141 678483286 /nfs/dbraw/zinc/48/32/86/678483286.db2.gz KQTPFKRSENTZJL-FHBZKAFMSA-N 2 1 322.409 -1.085 20 0 DAADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001047428351 678518727 /nfs/dbraw/zinc/51/87/27/678518727.db2.gz HHTJAYJNDXSHJA-ZOBORPQBSA-N 2 1 315.414 -1.145 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047634219 678538716 /nfs/dbraw/zinc/53/87/16/678538716.db2.gz ZSBLIBOQMPESMS-MELADBBJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047634219 678538719 /nfs/dbraw/zinc/53/87/19/678538719.db2.gz ZSBLIBOQMPESMS-MELADBBJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047634219 678538721 /nfs/dbraw/zinc/53/87/21/678538721.db2.gz ZSBLIBOQMPESMS-MELADBBJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047634219 678538723 /nfs/dbraw/zinc/53/87/23/678538723.db2.gz ZSBLIBOQMPESMS-MELADBBJSA-N 2 1 315.414 -1.407 20 0 DAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212075 678699697 /nfs/dbraw/zinc/69/96/97/678699697.db2.gz IURRZMPKLCCSKN-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051714367 678767593 /nfs/dbraw/zinc/76/75/93/678767593.db2.gz FPDNZONGWIDNQO-QWHCGFSZSA-N 2 1 321.381 -1.103 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051930240 678780078 /nfs/dbraw/zinc/78/00/78/678780078.db2.gz KIDOWLSWTHLZDC-NWDGAFQWSA-N 2 1 323.401 -1.521 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930240 678780081 /nfs/dbraw/zinc/78/00/81/678780081.db2.gz KIDOWLSWTHLZDC-NWDGAFQWSA-N 2 1 323.401 -1.521 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930498 678847540 /nfs/dbraw/zinc/84/75/40/678847540.db2.gz MSQGWSIKUKIVHO-SYQHCUMBSA-N 2 1 322.413 -1.048 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930498 678847543 /nfs/dbraw/zinc/84/75/43/678847543.db2.gz MSQGWSIKUKIVHO-SYQHCUMBSA-N 2 1 322.413 -1.048 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930498 678847549 /nfs/dbraw/zinc/84/75/49/678847549.db2.gz MSQGWSIKUKIVHO-SYQHCUMBSA-N 2 1 322.413 -1.048 20 0 DAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930498 678847553 /nfs/dbraw/zinc/84/75/53/678847553.db2.gz MSQGWSIKUKIVHO-SYQHCUMBSA-N 2 1 322.413 -1.048 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070165147 678857353 /nfs/dbraw/zinc/85/73/53/678857353.db2.gz FWGOLWDUCVCOGQ-FRRDWIJNSA-N 2 1 324.385 -2.058 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070165147 678857356 /nfs/dbraw/zinc/85/73/56/678857356.db2.gz FWGOLWDUCVCOGQ-FRRDWIJNSA-N 2 1 324.385 -2.058 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001200183110 782193294 /nfs/dbraw/zinc/19/32/94/782193294.db2.gz VZPXROCNTVDNTC-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001200183110 782193298 /nfs/dbraw/zinc/19/32/98/782193298.db2.gz VZPXROCNTVDNTC-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001200183109 782193448 /nfs/dbraw/zinc/19/34/48/782193448.db2.gz VZPXROCNTVDNTC-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001200183109 782193453 /nfs/dbraw/zinc/19/34/53/782193453.db2.gz VZPXROCNTVDNTC-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200975099 782211148 /nfs/dbraw/zinc/21/11/48/782211148.db2.gz AXKCWKVFRDZEJS-GFCCVEGCSA-N 2 1 309.370 -1.116 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060224 782227680 /nfs/dbraw/zinc/22/76/80/782227680.db2.gz VPWCFNZKPTXTIS-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202069167 782228464 /nfs/dbraw/zinc/22/84/64/782228464.db2.gz MMJOJIOUNBTETO-GFCCVEGCSA-N 2 1 309.370 -1.116 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114403450 782245149 /nfs/dbraw/zinc/24/51/49/782245149.db2.gz SGZMOYYVDARKFV-RQJABVFESA-N 2 1 307.398 -1.148 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114403450 782245158 /nfs/dbraw/zinc/24/51/58/782245158.db2.gz SGZMOYYVDARKFV-RQJABVFESA-N 2 1 307.398 -1.148 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274644039 782288779 /nfs/dbraw/zinc/28/87/79/782288779.db2.gz YQBZNIRFWQQTKO-ZFWWWQNUSA-N 2 1 315.414 -1.141 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001274716030 782292746 /nfs/dbraw/zinc/29/27/46/782292746.db2.gz OAVGGJOVSAXIQO-MNOVXSKESA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001274716030 782292751 /nfs/dbraw/zinc/29/27/51/782292751.db2.gz OAVGGJOVSAXIQO-MNOVXSKESA-N 2 1 322.431 -2.040 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114750402 782373985 /nfs/dbraw/zinc/37/39/85/782373985.db2.gz HLTDIHFYPCPRHB-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114750402 782373996 /nfs/dbraw/zinc/37/39/96/782373996.db2.gz HLTDIHFYPCPRHB-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099986855 782523607 /nfs/dbraw/zinc/52/36/07/782523607.db2.gz QFJPHMHGGFGROT-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986359 782524129 /nfs/dbraw/zinc/52/41/29/782524129.db2.gz JKJGZJSRFOKYNB-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986359 782524135 /nfs/dbraw/zinc/52/41/35/782524135.db2.gz JKJGZJSRFOKYNB-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100036367 782535353 /nfs/dbraw/zinc/53/53/53/782535353.db2.gz FLKVKTYXTLUFPC-ZIAGYGMSSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100036367 782535357 /nfs/dbraw/zinc/53/53/57/782535357.db2.gz FLKVKTYXTLUFPC-ZIAGYGMSSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100042311 782538469 /nfs/dbraw/zinc/53/84/69/782538469.db2.gz XNZWVVYAXCOVCQ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100042311 782538475 /nfs/dbraw/zinc/53/84/75/782538475.db2.gz XNZWVVYAXCOVCQ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100064957 782543174 /nfs/dbraw/zinc/54/31/74/782543174.db2.gz VDYFSKPZMKVDIG-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100064957 782543182 /nfs/dbraw/zinc/54/31/82/782543182.db2.gz VDYFSKPZMKVDIG-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100064957 782543190 /nfs/dbraw/zinc/54/31/90/782543190.db2.gz VDYFSKPZMKVDIG-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100064957 782543193 /nfs/dbraw/zinc/54/31/93/782543193.db2.gz VDYFSKPZMKVDIG-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100064268 782544126 /nfs/dbraw/zinc/54/41/26/782544126.db2.gz KPIQWPSNWVXQCS-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100064268 782544132 /nfs/dbraw/zinc/54/41/32/782544132.db2.gz KPIQWPSNWVXQCS-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100064268 782544136 /nfs/dbraw/zinc/54/41/36/782544136.db2.gz KPIQWPSNWVXQCS-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064958 782544739 /nfs/dbraw/zinc/54/47/39/782544739.db2.gz VDYFSKPZMKVDIG-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064958 782544745 /nfs/dbraw/zinc/54/47/45/782544745.db2.gz VDYFSKPZMKVDIG-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064958 782544751 /nfs/dbraw/zinc/54/47/51/782544751.db2.gz VDYFSKPZMKVDIG-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064958 782544754 /nfs/dbraw/zinc/54/47/54/782544754.db2.gz VDYFSKPZMKVDIG-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100064266 782544770 /nfs/dbraw/zinc/54/47/70/782544770.db2.gz KPIQWPSNWVXQCS-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100064266 782544776 /nfs/dbraw/zinc/54/47/76/782544776.db2.gz KPIQWPSNWVXQCS-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100064266 782544782 /nfs/dbraw/zinc/54/47/82/782544782.db2.gz KPIQWPSNWVXQCS-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100083858 782548466 /nfs/dbraw/zinc/54/84/66/782548466.db2.gz WOYCKUGUTQMFMF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100083858 782548471 /nfs/dbraw/zinc/54/84/71/782548471.db2.gz WOYCKUGUTQMFMF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100083858 782548477 /nfs/dbraw/zinc/54/84/77/782548477.db2.gz WOYCKUGUTQMFMF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100083858 782548484 /nfs/dbraw/zinc/54/84/84/782548484.db2.gz WOYCKUGUTQMFMF-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109489 782554627 /nfs/dbraw/zinc/55/46/27/782554627.db2.gz GFRSSZTXPCMORQ-KGLIPLIRSA-N 2 1 315.414 -1.358 20 0 DAADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212226 782563417 /nfs/dbraw/zinc/56/34/17/782563417.db2.gz UDAXQIFBINGGDF-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212226 782563410 /nfs/dbraw/zinc/56/34/10/782563410.db2.gz UDAXQIFBINGGDF-BPCQOVAHSA-N 2 1 312.414 -1.063 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211784 782563822 /nfs/dbraw/zinc/56/38/22/782563822.db2.gz AKNAGWBJJBLFEK-WXRRBKDZSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211784 782563836 /nfs/dbraw/zinc/56/38/36/782563836.db2.gz AKNAGWBJJBLFEK-WXRRBKDZSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100212297 782564045 /nfs/dbraw/zinc/56/40/45/782564045.db2.gz WSOFZTXISAFDKT-JXQTWKCFSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100212297 782564054 /nfs/dbraw/zinc/56/40/54/782564054.db2.gz WSOFZTXISAFDKT-JXQTWKCFSA-N 2 1 315.414 -1.190 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242347 782647689 /nfs/dbraw/zinc/64/76/89/782647689.db2.gz ZYUUTEFCCSTNKU-IWIIMEHWSA-N 2 1 309.370 -1.677 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242347 782647693 /nfs/dbraw/zinc/64/76/93/782647693.db2.gz ZYUUTEFCCSTNKU-IWIIMEHWSA-N 2 1 309.370 -1.677 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125922 782643714 /nfs/dbraw/zinc/64/37/14/782643714.db2.gz DUTHMJHDSRAMFT-NMKXLXIOSA-N 2 1 312.414 -1.255 20 0 DAADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125921 782643807 /nfs/dbraw/zinc/64/38/07/782643807.db2.gz DUTHMJHDSRAMFT-CIQGVGRVSA-N 2 1 312.414 -1.255 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242966 782648913 /nfs/dbraw/zinc/64/89/13/782648913.db2.gz HAPDWTYQMZQCJZ-MEWQQHAOSA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242966 782648916 /nfs/dbraw/zinc/64/89/16/782648916.db2.gz HAPDWTYQMZQCJZ-MEWQQHAOSA-N 2 1 323.397 -1.288 20 0 DAADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118325768 782714572 /nfs/dbraw/zinc/71/45/72/782714572.db2.gz JZSHYLMQZBMCPV-MROQNXINSA-N 2 1 310.398 -1.493 20 0 DAADMP OC[C@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727205 /nfs/dbraw/zinc/72/72/05/782727205.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 2 1 314.426 -1.107 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC001118867641 782737019 /nfs/dbraw/zinc/73/70/19/782737019.db2.gz NBEBNMSKGRQVLW-YPMHNXCESA-N 2 1 310.398 -1.142 20 0 DAADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC001118867639 782737358 /nfs/dbraw/zinc/73/73/58/782737358.db2.gz NBEBNMSKGRQVLW-DGCLKSJQSA-N 2 1 310.398 -1.142 20 0 DAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001119358225 782752390 /nfs/dbraw/zinc/75/23/90/782752390.db2.gz YDADDJIBPRXWIJ-JHJVBQTASA-N 2 1 312.414 -1.076 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001119351906 782753211 /nfs/dbraw/zinc/75/32/11/782753211.db2.gz MEVBEJGUUBDNIS-QWHCGFSZSA-N 2 1 311.430 -1.312 20 0 DAADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000300284165 775172310 /nfs/dbraw/zinc/17/23/10/775172310.db2.gz NKZLXVUHRSYFND-STQMWFEESA-N 2 1 303.403 -1.203 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098561206 775197646 /nfs/dbraw/zinc/19/76/46/775197646.db2.gz WUGAMAVCAXXOBV-LBPRGKRZSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)C1 ZINC001098561206 775197656 /nfs/dbraw/zinc/19/76/56/775197656.db2.gz WUGAMAVCAXXOBV-LBPRGKRZSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)C1 ZINC001098561206 775197659 /nfs/dbraw/zinc/19/76/59/775197659.db2.gz WUGAMAVCAXXOBV-LBPRGKRZSA-N 2 1 312.414 -1.291 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072390 775200274 /nfs/dbraw/zinc/20/02/74/775200274.db2.gz YKVVQSSGGSKZJG-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268355747 775378307 /nfs/dbraw/zinc/37/83/07/775378307.db2.gz ZSGDWRVBWZCZOD-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268355747 775378316 /nfs/dbraw/zinc/37/83/16/775378316.db2.gz ZSGDWRVBWZCZOD-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268355752 775378918 /nfs/dbraw/zinc/37/89/18/775378918.db2.gz ZSGDWRVBWZCZOD-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268355752 775378928 /nfs/dbraw/zinc/37/89/28/775378928.db2.gz ZSGDWRVBWZCZOD-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105372835 775407220 /nfs/dbraw/zinc/40/72/20/775407220.db2.gz ZIGOUTTUEICABE-NSHDSACASA-N 2 1 308.386 -1.305 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105372835 775407223 /nfs/dbraw/zinc/40/72/23/775407223.db2.gz ZIGOUTTUEICABE-NSHDSACASA-N 2 1 308.386 -1.305 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268995830 775433061 /nfs/dbraw/zinc/43/30/61/775433061.db2.gz CESCZDITAWBSJI-WDEREUQCSA-N 2 1 310.402 -1.567 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268995830 775433068 /nfs/dbraw/zinc/43/30/68/775433068.db2.gz CESCZDITAWBSJI-WDEREUQCSA-N 2 1 310.402 -1.567 20 0 DAADMP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12)C(N)=[NH2+] ZINC001268995903 775433221 /nfs/dbraw/zinc/43/32/21/775433221.db2.gz FJXFIOKHLJSAEI-GHMZBOCLSA-N 2 1 322.413 -1.520 20 0 DAADMP CC[N@@H+](C)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001269095357 775442318 /nfs/dbraw/zinc/44/23/18/775442318.db2.gz RCBFCJQXQAVUTI-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001269246837 775452257 /nfs/dbraw/zinc/45/22/57/775452257.db2.gz AMFNPZHUGMJPAW-ZDUSSCGKSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001269388108 775463723 /nfs/dbraw/zinc/46/37/23/775463723.db2.gz FXLTYQWWYSJRHY-NSHDSACASA-N 2 1 323.397 -1.129 20 0 DAADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702811 775504127 /nfs/dbraw/zinc/50/41/27/775504127.db2.gz WMTZSZDAKYYKCV-UHFFFAOYSA-N 2 1 309.458 -1.060 20 0 DAADMP OC[C@H]1C[C@@H](Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)[C@H](O)[C@@H]1O ZINC001168040399 775549057 /nfs/dbraw/zinc/54/90/57/775549057.db2.gz ARHBLHIMRLUBAG-WFFHOREQSA-N 2 1 309.370 -1.599 20 0 DAADMP Cn1cc(CNCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001272129965 775639720 /nfs/dbraw/zinc/63/97/20/775639720.db2.gz WVLOHFIKRSMNEW-ZDUSSCGKSA-N 2 1 310.402 -1.180 20 0 DAADMP Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001272129965 775639726 /nfs/dbraw/zinc/63/97/26/775639726.db2.gz WVLOHFIKRSMNEW-ZDUSSCGKSA-N 2 1 310.402 -1.180 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272495624 775765141 /nfs/dbraw/zinc/76/51/41/775765141.db2.gz GHYAVSNYHHUKDT-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272566625 775778644 /nfs/dbraw/zinc/77/86/44/775778644.db2.gz ABYATGTXKIVOBD-WDEREUQCSA-N 2 1 314.386 -1.800 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(N)=O ZINC001106309646 775786174 /nfs/dbraw/zinc/78/61/74/775786174.db2.gz CRCKNAQFYBFDKY-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(N)=O ZINC001106309646 775786184 /nfs/dbraw/zinc/78/61/84/775786184.db2.gz CRCKNAQFYBFDKY-FDYHWXHSSA-N 2 1 312.414 -1.125 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643849 775819002 /nfs/dbraw/zinc/81/90/02/775819002.db2.gz NVYOZIHRMQXUOY-HBNTYKKESA-N 2 1 313.402 -1.124 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879331 775833031 /nfs/dbraw/zinc/83/30/31/775833031.db2.gz RPGSCZDDWGFMRX-QWHCGFSZSA-N 2 1 303.403 -1.190 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001125222272 775840666 /nfs/dbraw/zinc/84/06/66/775840666.db2.gz UOKAAVASBKASSO-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001125222272 775840673 /nfs/dbraw/zinc/84/06/73/775840673.db2.gz UOKAAVASBKASSO-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220648 775840726 /nfs/dbraw/zinc/84/07/26/775840726.db2.gz KJJBIIBCSVIXBH-ZDUSSCGKSA-N 2 1 316.402 -1.825 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220648 775840731 /nfs/dbraw/zinc/84/07/31/775840731.db2.gz KJJBIIBCSVIXBH-ZDUSSCGKSA-N 2 1 316.402 -1.825 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125219770 775840789 /nfs/dbraw/zinc/84/07/89/775840789.db2.gz BKIXGEUYULTKCF-VIFPVBQESA-N 2 1 301.347 -2.522 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125219770 775840797 /nfs/dbraw/zinc/84/07/97/775840797.db2.gz BKIXGEUYULTKCF-VIFPVBQESA-N 2 1 301.347 -2.522 20 0 DAADMP C[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)CS(C)(=O)=O ZINC001125227785 775840995 /nfs/dbraw/zinc/84/09/95/775840995.db2.gz ZCBSGRQLEFZIDF-VXGBXAGGSA-N 2 1 321.443 -1.297 20 0 DAADMP C[C@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CS(C)(=O)=O ZINC001125227785 775841000 /nfs/dbraw/zinc/84/10/00/775841000.db2.gz ZCBSGRQLEFZIDF-VXGBXAGGSA-N 2 1 321.443 -1.297 20 0 DAADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220308 775841755 /nfs/dbraw/zinc/84/17/55/775841755.db2.gz GLLHTQGKSROUJP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220308 775841757 /nfs/dbraw/zinc/84/17/57/775841757.db2.gz GLLHTQGKSROUJP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001125220487 775841805 /nfs/dbraw/zinc/84/18/05/775841805.db2.gz IGIBTNOEIIVVOR-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001125220487 775841811 /nfs/dbraw/zinc/84/18/11/775841811.db2.gz IGIBTNOEIIVVOR-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125227522 775842064 /nfs/dbraw/zinc/84/20/64/775842064.db2.gz UMMGKWVXTUYGTL-VHSXEESVSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125227522 775842072 /nfs/dbraw/zinc/84/20/72/775842072.db2.gz UMMGKWVXTUYGTL-VHSXEESVSA-N 2 1 315.374 -2.133 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214138 775842106 /nfs/dbraw/zinc/84/21/06/775842106.db2.gz PULCOJWNEMRESF-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214138 775842107 /nfs/dbraw/zinc/84/21/07/775842107.db2.gz PULCOJWNEMRESF-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001125221145 775842688 /nfs/dbraw/zinc/84/26/88/775842688.db2.gz NMBPMUXBKDMGAY-NWDGAFQWSA-N 2 1 308.386 -1.198 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001125221145 775842698 /nfs/dbraw/zinc/84/26/98/775842698.db2.gz NMBPMUXBKDMGAY-NWDGAFQWSA-N 2 1 308.386 -1.198 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1 ZINC001127777788 775861385 /nfs/dbraw/zinc/86/13/85/775861385.db2.gz BQNARQAIKAHUHT-QWHCGFSZSA-N 2 1 310.398 -1.166 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777763 775862303 /nfs/dbraw/zinc/86/23/03/775862303.db2.gz BOOKIECLSDCQCR-CHWSQXEVSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777763 775862313 /nfs/dbraw/zinc/86/23/13/775862313.db2.gz BOOKIECLSDCQCR-CHWSQXEVSA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784749 775862849 /nfs/dbraw/zinc/86/28/49/775862849.db2.gz BBCLYPQSIQOVAU-QWHCGFSZSA-N 2 1 308.386 -1.153 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779747 775863160 /nfs/dbraw/zinc/86/31/60/775863160.db2.gz RMBUAOKPQVGHQR-VXGBXAGGSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779747 775863168 /nfs/dbraw/zinc/86/31/68/775863168.db2.gz RMBUAOKPQVGHQR-VXGBXAGGSA-N 2 1 308.386 -1.116 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779153 775863301 /nfs/dbraw/zinc/86/33/01/775863301.db2.gz JQTBKRCDYOEFJI-NXEZZACHSA-N 2 1 313.358 -2.250 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779744 775863380 /nfs/dbraw/zinc/86/33/80/775863380.db2.gz RMBUAOKPQVGHQR-NEPJUHHUSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779744 775863384 /nfs/dbraw/zinc/86/33/84/775863384.db2.gz RMBUAOKPQVGHQR-NEPJUHHUSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780218 775864036 /nfs/dbraw/zinc/86/40/36/775864036.db2.gz XDYHPNXFDUBYFY-WCQYABFASA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779971 775864749 /nfs/dbraw/zinc/86/47/49/775864749.db2.gz UOLIYJREQDZQSL-GHMZBOCLSA-N 2 1 309.374 -1.721 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779971 775864756 /nfs/dbraw/zinc/86/47/56/775864756.db2.gz UOLIYJREQDZQSL-GHMZBOCLSA-N 2 1 309.374 -1.721 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780051 775865036 /nfs/dbraw/zinc/86/50/36/775865036.db2.gz VERDFCOPPCSHMB-NEPJUHHUSA-N 2 1 319.427 -1.400 20 0 DAADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001239131092 775873255 /nfs/dbraw/zinc/87/32/55/775873255.db2.gz ZORDKBIZOJQQKY-HBNTYKKESA-N 2 1 305.400 -1.110 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C1CC1 ZINC001129052773 776052285 /nfs/dbraw/zinc/05/22/85/776052285.db2.gz LEAOIEWTCYXWRC-HZSPNIEDSA-N 2 1 322.413 -1.048 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C1CC1 ZINC001129052773 776052289 /nfs/dbraw/zinc/05/22/89/776052289.db2.gz LEAOIEWTCYXWRC-HZSPNIEDSA-N 2 1 322.413 -1.048 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053068 776159018 /nfs/dbraw/zinc/15/90/18/776159018.db2.gz REIMSKFMANOXKH-MJBXVCDLSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053067 776159207 /nfs/dbraw/zinc/15/92/07/776159207.db2.gz REIMSKFMANOXKH-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053913 776160623 /nfs/dbraw/zinc/16/06/23/776160623.db2.gz PEEZOAIMHXSWGO-MJBXVCDLSA-N 2 1 307.398 -1.004 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053913 776160627 /nfs/dbraw/zinc/16/06/27/776160627.db2.gz PEEZOAIMHXSWGO-MJBXVCDLSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053913 776160633 /nfs/dbraw/zinc/16/06/33/776160633.db2.gz PEEZOAIMHXSWGO-MJBXVCDLSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001084053913 776160638 /nfs/dbraw/zinc/16/06/38/776160638.db2.gz PEEZOAIMHXSWGO-MJBXVCDLSA-N 2 1 307.398 -1.004 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975014 776209009 /nfs/dbraw/zinc/20/90/09/776209009.db2.gz XQVYUEPEECRLFZ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975014 776209018 /nfs/dbraw/zinc/20/90/18/776209018.db2.gz XQVYUEPEECRLFZ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975013 776209390 /nfs/dbraw/zinc/20/93/90/776209390.db2.gz XQVYUEPEECRLFZ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975013 776209393 /nfs/dbraw/zinc/20/93/93/776209393.db2.gz XQVYUEPEECRLFZ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975015 776209809 /nfs/dbraw/zinc/20/98/09/776209809.db2.gz XQVYUEPEECRLFZ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975015 776209812 /nfs/dbraw/zinc/20/98/12/776209812.db2.gz XQVYUEPEECRLFZ-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099987213 776216151 /nfs/dbraw/zinc/21/61/51/776216151.db2.gz WMAAGMAXEAXQBM-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099987213 776216157 /nfs/dbraw/zinc/21/61/57/776216157.db2.gz WMAAGMAXEAXQBM-OLZOCXBDSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099987214 776216236 /nfs/dbraw/zinc/21/62/36/776216236.db2.gz WMAAGMAXEAXQBM-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099987214 776216240 /nfs/dbraw/zinc/21/62/40/776216240.db2.gz WMAAGMAXEAXQBM-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086152330 776244075 /nfs/dbraw/zinc/24/40/75/776244075.db2.gz AWXTVWIYMPQGFQ-FAZPBVIHSA-N 2 1 322.409 -1.181 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100041277 776250373 /nfs/dbraw/zinc/25/03/73/776250373.db2.gz GVMXDBGDBPEVSC-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100041280 776250534 /nfs/dbraw/zinc/25/05/34/776250534.db2.gz GVMXDBGDBPEVSC-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001100050776 776253162 /nfs/dbraw/zinc/25/31/62/776253162.db2.gz MWYTUPMGTRXTLK-UONOGXRCSA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086331919 776257059 /nfs/dbraw/zinc/25/70/59/776257059.db2.gz LAOSETBQHJSXAT-ZDEQEGDKSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086331919 776257064 /nfs/dbraw/zinc/25/70/64/776257064.db2.gz LAOSETBQHJSXAT-ZDEQEGDKSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373275 776258726 /nfs/dbraw/zinc/25/87/26/776258726.db2.gz RNWMVADBWKKROY-CYDGBPFRSA-N 2 1 310.398 -1.181 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086431712 776261826 /nfs/dbraw/zinc/26/18/26/776261826.db2.gz AWXTVWIYMPQGFQ-JRWADXHSSA-N 2 1 322.409 -1.181 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100084145 776262640 /nfs/dbraw/zinc/26/26/40/776262640.db2.gz XWVSMLBIFUTYCQ-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100084145 776262644 /nfs/dbraw/zinc/26/26/44/776262644.db2.gz XWVSMLBIFUTYCQ-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100084145 776262651 /nfs/dbraw/zinc/26/26/51/776262651.db2.gz XWVSMLBIFUTYCQ-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098449984 776271851 /nfs/dbraw/zinc/27/18/51/776271851.db2.gz YDIIPSQEVJBZTP-CYBMUJFWSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098449984 776271853 /nfs/dbraw/zinc/27/18/53/776271853.db2.gz YDIIPSQEVJBZTP-CYBMUJFWSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098449984 776271858 /nfs/dbraw/zinc/27/18/58/776271858.db2.gz YDIIPSQEVJBZTP-CYBMUJFWSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001156145470 776274311 /nfs/dbraw/zinc/27/43/11/776274311.db2.gz LGCFQSKWMDWQAE-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001156145470 776274321 /nfs/dbraw/zinc/27/43/21/776274321.db2.gz LGCFQSKWMDWQAE-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP CN(c1ccc(N2CC[NH+](C)CC2)nn1)S(=O)(=O)CC[NH3+] ZINC001156231702 776281975 /nfs/dbraw/zinc/28/19/75/776281975.db2.gz NIFPUCFIHBNBQZ-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP CC[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108587416 776308492 /nfs/dbraw/zinc/30/84/92/776308492.db2.gz MWIBDCZKQXEGSY-LBPRGKRZSA-N 2 1 312.414 -1.014 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380088 776325377 /nfs/dbraw/zinc/32/53/77/776325377.db2.gz CNRLWJNFPLFXPM-CYBMUJFWSA-N 2 1 324.429 -1.003 20 0 DAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129385022 776328400 /nfs/dbraw/zinc/32/84/00/776328400.db2.gz CLQXPXDGRKNDSF-STQMWFEESA-N 2 1 322.413 -1.250 20 0 DAADMP CC[C@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001129385475 776328674 /nfs/dbraw/zinc/32/86/74/776328674.db2.gz FHXUJUDNULDPHR-RYUDHWBXSA-N 2 1 310.402 -1.217 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386086 776330574 /nfs/dbraw/zinc/33/05/74/776330574.db2.gz JSNOYQZOCZPGJH-STQMWFEESA-N 2 1 313.402 -1.474 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387489 776330945 /nfs/dbraw/zinc/33/09/45/776330945.db2.gz VGUNGMQMZFORMS-VXGBXAGGSA-N 2 1 310.402 -1.346 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCOCCO ZINC001129387641 776333926 /nfs/dbraw/zinc/33/39/26/776333926.db2.gz XRVWEKIXBBZOFJ-ZDUSSCGKSA-N 2 1 313.402 -1.472 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001170211905 776425147 /nfs/dbraw/zinc/42/51/47/776425147.db2.gz QTYIOJJCORZOEF-UHFFFAOYSA-N 2 1 301.391 -1.120 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042284 776443004 /nfs/dbraw/zinc/44/30/04/776443004.db2.gz ZEPVPQCLHWBJLP-MIZYBKAJSA-N 2 1 309.370 -1.678 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042284 776443008 /nfs/dbraw/zinc/44/30/08/776443008.db2.gz ZEPVPQCLHWBJLP-MIZYBKAJSA-N 2 1 309.370 -1.678 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042284 776443013 /nfs/dbraw/zinc/44/30/13/776443013.db2.gz ZEPVPQCLHWBJLP-MIZYBKAJSA-N 2 1 309.370 -1.678 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042284 776443020 /nfs/dbraw/zinc/44/30/20/776443020.db2.gz ZEPVPQCLHWBJLP-MIZYBKAJSA-N 2 1 309.370 -1.678 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123464 776495292 /nfs/dbraw/zinc/49/52/92/776495292.db2.gz SBXUVEUJSLXQJF-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)O1 ZINC001130182325 776495464 /nfs/dbraw/zinc/49/54/64/776495464.db2.gz CHKLTMINILUHIE-GHMZBOCLSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)O1 ZINC001130182325 776495470 /nfs/dbraw/zinc/49/54/70/776495470.db2.gz CHKLTMINILUHIE-GHMZBOCLSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)O1 ZINC001130182642 776497445 /nfs/dbraw/zinc/49/74/45/776497445.db2.gz QSGFQEQCGGNVGE-GMTAPVOTSA-N 2 1 312.370 -1.784 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)O1 ZINC001130182642 776497449 /nfs/dbraw/zinc/49/74/49/776497449.db2.gz QSGFQEQCGGNVGE-GMTAPVOTSA-N 2 1 312.370 -1.784 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130427645 776509547 /nfs/dbraw/zinc/50/95/47/776509547.db2.gz PYTGMQLRVNYMDU-UHFFFAOYSA-N 2 1 308.448 -1.028 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380889 776568119 /nfs/dbraw/zinc/56/81/19/776568119.db2.gz BOBHFPPECULGQB-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380889 776568122 /nfs/dbraw/zinc/56/81/22/776568122.db2.gz BOBHFPPECULGQB-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387228 776569424 /nfs/dbraw/zinc/56/94/24/776569424.db2.gz GUXPYNMPQSSTON-SNVBAGLBSA-N 2 1 310.358 -1.259 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001131387461 776569496 /nfs/dbraw/zinc/56/94/96/776569496.db2.gz QDIQEWNLAKJMSB-UHFFFAOYSA-N 2 1 322.369 -1.161 20 0 DAADMP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521990 776571894 /nfs/dbraw/zinc/57/18/94/776571894.db2.gz ODZPRTSJLKUHTB-OWYJLGKBSA-N 2 1 320.397 -1.153 20 0 DAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519441 776573487 /nfs/dbraw/zinc/57/34/87/776573487.db2.gz FIGRBYLKMRUUBY-MQYJIDSJSA-N 2 1 310.398 -1.356 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001132848275 776642737 /nfs/dbraw/zinc/64/27/37/776642737.db2.gz CRRSSFFJDUAQOI-JTQLQIEISA-N 2 1 315.374 -2.004 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132849049 776643186 /nfs/dbraw/zinc/64/31/86/776643186.db2.gz ZYDSYAXGLWCDCZ-NWDGAFQWSA-N 2 1 300.403 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132849050 776643368 /nfs/dbraw/zinc/64/33/68/776643368.db2.gz ZYDSYAXGLWCDCZ-RYUDHWBXSA-N 2 1 300.403 -1.064 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132885999 776645483 /nfs/dbraw/zinc/64/54/83/776645483.db2.gz AKHDHNYKZZKRKH-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863781 776680798 /nfs/dbraw/zinc/68/07/98/776680798.db2.gz PFCZPEYRELPTDW-NWDGAFQWSA-N 2 1 320.459 -1.171 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133894027 776681004 /nfs/dbraw/zinc/68/10/04/776681004.db2.gz STBLNNCFEZQZIF-UHFFFAOYSA-N 2 1 313.402 -1.120 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133862646 776681027 /nfs/dbraw/zinc/68/10/27/776681027.db2.gz DYGJOPVMNOXIIS-QWRGUYRKSA-N 2 1 306.432 -1.561 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133862644 776681476 /nfs/dbraw/zinc/68/14/76/776681476.db2.gz DYGJOPVMNOXIIS-GHMZBOCLSA-N 2 1 306.432 -1.561 20 0 DAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001133865746 776681739 /nfs/dbraw/zinc/68/17/39/776681739.db2.gz GAVITUMGEPIJIB-SNVBAGLBSA-N 2 1 322.369 -1.345 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001133845977 776681772 /nfs/dbraw/zinc/68/17/72/776681772.db2.gz QYFZHULQPBFWNP-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090818898 776855988 /nfs/dbraw/zinc/85/59/88/776855988.db2.gz XLZMVTFLCVWQHW-KGLIPLIRSA-N 2 1 322.413 -1.075 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001120456339 779522089 /nfs/dbraw/zinc/52/20/89/779522089.db2.gz UIMJZRWZHYASJM-XDQVBPFNSA-N 2 1 324.425 -1.103 20 0 DAADMP C[NH2+]CCCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001121993181 779553473 /nfs/dbraw/zinc/55/34/73/779553473.db2.gz SMVKAZXKMQDLSV-UHFFFAOYSA-N 2 1 318.443 -1.178 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151048370 779669990 /nfs/dbraw/zinc/66/99/90/779669990.db2.gz AOUNTRQPXPVXDV-JTQLQIEISA-N 2 1 311.386 -1.368 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121640 779670898 /nfs/dbraw/zinc/67/08/98/779670898.db2.gz JSRKIQCJEVQDBA-VIFPVBQESA-N 2 1 310.358 -1.259 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001151114499 779671180 /nfs/dbraw/zinc/67/11/80/779671180.db2.gz OORHSIUFYFSXBO-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001151064966 779671492 /nfs/dbraw/zinc/67/14/92/779671492.db2.gz GJVPUUIEOZFCPS-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151049818 779671846 /nfs/dbraw/zinc/67/18/46/779671846.db2.gz ZMCWQVLUAGTWAB-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001151740913 779682590 /nfs/dbraw/zinc/68/25/90/779682590.db2.gz ZKMFUNOKKYUYOY-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001151740913 779682594 /nfs/dbraw/zinc/68/25/94/779682594.db2.gz ZKMFUNOKKYUYOY-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151738959 779683365 /nfs/dbraw/zinc/68/33/65/779683365.db2.gz JBVHPTGAYFYWMX-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151738959 779683368 /nfs/dbraw/zinc/68/33/68/779683368.db2.gz JBVHPTGAYFYWMX-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151739763 779683735 /nfs/dbraw/zinc/68/37/35/779683735.db2.gz NEYYVVMDTRGSQH-MNOVXSKESA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151739763 779683740 /nfs/dbraw/zinc/68/37/40/779683740.db2.gz NEYYVVMDTRGSQH-MNOVXSKESA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151748055 779684068 /nfs/dbraw/zinc/68/40/68/779684068.db2.gz CZHLPXJZVHWABT-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151748055 779684071 /nfs/dbraw/zinc/68/40/71/779684071.db2.gz CZHLPXJZVHWABT-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)C1 ZINC001151749504 779684232 /nfs/dbraw/zinc/68/42/32/779684232.db2.gz ZXEPPTIFRVQWMT-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)C1 ZINC001151749504 779684234 /nfs/dbraw/zinc/68/42/34/779684234.db2.gz ZXEPPTIFRVQWMT-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152426735 779693428 /nfs/dbraw/zinc/69/34/28/779693428.db2.gz MYIHUZGELGHBNJ-UHFFFAOYSA-N 2 1 308.448 -1.076 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155811737 779736250 /nfs/dbraw/zinc/73/62/50/779736250.db2.gz JEGZVQLCBVBFHJ-NSHDSACASA-N 2 1 306.432 -1.274 20 0 DAADMP [NH3+]CCN(CCO)c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155953701 779737676 /nfs/dbraw/zinc/73/76/76/779737676.db2.gz ZPZVCTFQDAQENU-UHFFFAOYSA-N 2 1 308.386 -1.326 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001156126124 779738534 /nfs/dbraw/zinc/73/85/34/779738534.db2.gz RSJYOXMKOAJWHG-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001156126124 779738539 /nfs/dbraw/zinc/73/85/39/779738539.db2.gz RSJYOXMKOAJWHG-LBPRGKRZSA-N 2 1 321.443 -1.152 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001156124881 779738584 /nfs/dbraw/zinc/73/85/84/779738584.db2.gz ANILKJLAUYMHOE-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001156124881 779738588 /nfs/dbraw/zinc/73/85/88/779738588.db2.gz ANILKJLAUYMHOE-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001156126362 779738864 /nfs/dbraw/zinc/73/88/64/779738864.db2.gz XALVROWWFYTQSP-VIFPVBQESA-N 2 1 301.347 -2.392 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001156126362 779738870 /nfs/dbraw/zinc/73/88/70/779738870.db2.gz XALVROWWFYTQSP-VIFPVBQESA-N 2 1 301.347 -2.392 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145462 779740087 /nfs/dbraw/zinc/74/00/87/779740087.db2.gz LBVYZCLLEAJVFE-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145462 779740093 /nfs/dbraw/zinc/74/00/93/779740093.db2.gz LBVYZCLLEAJVFE-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145463 779741029 /nfs/dbraw/zinc/74/10/29/779741029.db2.gz LBVYZCLLEAJVFE-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145463 779741026 /nfs/dbraw/zinc/74/10/26/779741026.db2.gz LBVYZCLLEAJVFE-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157082046 779748010 /nfs/dbraw/zinc/74/80/10/779748010.db2.gz GKRIMHPIBFHSKR-NEPJUHHUSA-N 2 1 321.381 -1.191 20 0 DAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H](N)CN2CCC([NH3+])CC2)n[nH]1 ZINC001157440412 779754538 /nfs/dbraw/zinc/75/45/38/779754538.db2.gz WBCOGDJJRBUVOC-JTQLQIEISA-N 2 1 308.390 -1.305 20 0 DAADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093516 779765562 /nfs/dbraw/zinc/76/55/62/779765562.db2.gz WOWUSGYDWJWUOF-LRDDRELGSA-N 2 1 321.425 -1.449 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102584 779767033 /nfs/dbraw/zinc/76/70/33/779767033.db2.gz UJNZOZLGQRKQJI-SWLSCSKDSA-N 3 1 324.429 -2.573 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110392 779767124 /nfs/dbraw/zinc/76/71/24/779767124.db2.gz GZCSECASWAVTCP-INIZCTEOSA-N 3 1 321.425 -1.734 20 0 DAADMP N[C@@H](CSCC[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101864 779767308 /nfs/dbraw/zinc/76/73/08/779767308.db2.gz NHDIQOZIWBAVMO-CABZTGNLSA-N 2 1 301.416 -2.304 20 0 DAADMP C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)COCC[NH2+]1 ZINC001158118904 779768025 /nfs/dbraw/zinc/76/80/25/779768025.db2.gz DSMRHTDSPXLAPA-HIFRSBDPSA-N 2 1 308.382 -1.697 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111422 779768412 /nfs/dbraw/zinc/76/84/12/779768412.db2.gz NQXIKAHCRROQPG-ZUZCIYMTSA-N 2 1 324.381 -1.795 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)COCC(=O)N2 ZINC001158327235 779773609 /nfs/dbraw/zinc/77/36/09/779773609.db2.gz WJQDKVRGEHQGBF-UHFFFAOYSA-N 2 1 310.398 -1.164 20 0 DAADMP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505315 779776640 /nfs/dbraw/zinc/77/66/40/779776640.db2.gz ARWSOPSRHDPLSG-KGLIPLIRSA-N 2 1 315.414 -1.046 20 0 DAADMP O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505316 779776779 /nfs/dbraw/zinc/77/67/79/779776779.db2.gz ARWSOPSRHDPLSG-UONOGXRCSA-N 2 1 315.414 -1.046 20 0 DAADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158626154 779777993 /nfs/dbraw/zinc/77/79/93/779777993.db2.gz FYGWJSZSVRRVGV-WDEREUQCSA-N 2 1 306.432 -1.242 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158629088 779778237 /nfs/dbraw/zinc/77/82/37/779778237.db2.gz BXOPYSASTPSFLZ-VLEAKVRGSA-N 2 1 313.402 -1.755 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[NH3+])CC[C@@H]2C1 ZINC001159635310 779795863 /nfs/dbraw/zinc/79/58/63/779795863.db2.gz KOKHMHIYQBFZIW-HZSPNIEDSA-N 2 1 314.430 -1.142 20 0 DAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]2C1 ZINC001159635310 779795866 /nfs/dbraw/zinc/79/58/66/779795866.db2.gz KOKHMHIYQBFZIW-HZSPNIEDSA-N 3 1 314.430 -1.142 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]2C1 ZINC001159635310 779795868 /nfs/dbraw/zinc/79/58/68/779795868.db2.gz KOKHMHIYQBFZIW-HZSPNIEDSA-N 3 1 314.430 -1.142 20 0 DAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159876183 779797975 /nfs/dbraw/zinc/79/79/75/779797975.db2.gz GVFDDJUNBLJBEP-ZDUSSCGKSA-N 2 1 324.429 -1.003 20 0 DAADMP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H]2C1 ZINC001160000402 779798916 /nfs/dbraw/zinc/79/89/16/779798916.db2.gz ZWHPALNPAGVXPP-VWYCJHECSA-N 2 1 304.416 -1.455 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160194777 779802990 /nfs/dbraw/zinc/80/29/90/779802990.db2.gz XQIZGIMLUTUJDS-NSHDSACASA-N 2 1 318.385 -1.069 20 0 DAADMP CCOC(=O)[C@]12CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160812129 779820066 /nfs/dbraw/zinc/82/00/66/779820066.db2.gz HAOBOBRZFBXPOC-TYNCELHUSA-N 2 1 311.382 -1.024 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001160857087 779821921 /nfs/dbraw/zinc/82/19/21/779821921.db2.gz DBELYWRGAGEJPA-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001160857087 779821925 /nfs/dbraw/zinc/82/19/25/779821925.db2.gz DBELYWRGAGEJPA-NXEZZACHSA-N 2 1 315.374 -2.004 20 0 DAADMP O=C1C[NH2+]CCN1CCNc1cncc(N2CC[NH2+]CC2)n1 ZINC001161019463 779825167 /nfs/dbraw/zinc/82/51/67/779825167.db2.gz NZBWEAJIVAXWKV-UHFFFAOYSA-N 2 1 305.386 -1.270 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001161376596 779834875 /nfs/dbraw/zinc/83/48/75/779834875.db2.gz BOAXPHZADPQARU-KGLIPLIRSA-N 3 1 323.441 -1.121 20 0 DAADMP C[N@@H+](C1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161499516 779839922 /nfs/dbraw/zinc/83/99/22/779839922.db2.gz OSZBUYCAUFROKD-AAEUAGOBSA-N 2 1 310.398 -1.132 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510657 779840201 /nfs/dbraw/zinc/84/02/01/779840201.db2.gz QOWKESMXYJYGAW-OLZOCXBDSA-N 3 1 324.425 -1.375 20 0 DAADMP CN1C[C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510657 779840207 /nfs/dbraw/zinc/84/02/07/779840207.db2.gz QOWKESMXYJYGAW-OLZOCXBDSA-N 2 1 324.425 -1.375 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510656 779840275 /nfs/dbraw/zinc/84/02/75/779840275.db2.gz QOWKESMXYJYGAW-CHWSQXEVSA-N 3 1 324.425 -1.375 20 0 DAADMP CN1C[C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510656 779840285 /nfs/dbraw/zinc/84/02/85/779840285.db2.gz QOWKESMXYJYGAW-CHWSQXEVSA-N 2 1 324.425 -1.375 20 0 DAADMP C[NH+]1CCN(c2ncc(N(CC[NH3+])S(C)(=O)=O)cn2)CC1 ZINC001162128782 779851113 /nfs/dbraw/zinc/85/11/13/779851113.db2.gz JXIFOSUPLTZSSZ-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP [NH3+]C1CCN(c2cccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2)CC1 ZINC001162446157 779858927 /nfs/dbraw/zinc/85/89/27/779858927.db2.gz HCHFGXBRINRRAT-KKUMJFAQSA-N 2 1 318.429 -1.494 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@H]21 ZINC001162445571 779859073 /nfs/dbraw/zinc/85/90/73/779859073.db2.gz FNITYTCOPIZDJB-BFHYXJOUSA-N 2 1 320.401 -1.896 20 0 DAADMP [NH3+]C1CCN(c2ccnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2)CC1 ZINC001162447128 779859993 /nfs/dbraw/zinc/85/99/93/779859993.db2.gz LOQCHZHRZXPVGF-AVGNSLFASA-N 2 1 319.417 -2.099 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162447286 779860041 /nfs/dbraw/zinc/86/00/41/779860041.db2.gz LQANDLMCQUURTA-MJBXVCDLSA-N 2 1 304.402 -2.012 20 0 DAADMP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872262 779863477 /nfs/dbraw/zinc/86/34/77/779863477.db2.gz MHWGDGZNGOYOSF-BWAOXVRWSA-N 2 1 322.409 -1.166 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001162872207 779863640 /nfs/dbraw/zinc/86/36/40/779863640.db2.gz KMUGQIZGOKEUIF-AKUZOMFGSA-N 2 1 310.398 -1.181 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166691822 779891977 /nfs/dbraw/zinc/89/19/77/779891977.db2.gz NXGUCKDSHNRYJD-VXGBXAGGSA-N 2 1 320.459 -1.171 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708781 779892382 /nfs/dbraw/zinc/89/23/82/779892382.db2.gz WAMRILRHZLLRMD-QWRGUYRKSA-N 2 1 313.402 -1.264 20 0 DAADMP NC(=O)[C@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001166725751 779893116 /nfs/dbraw/zinc/89/31/16/779893116.db2.gz SEYKTXXIJSIGSE-GFCCVEGCSA-N 2 1 318.381 -1.610 20 0 DAADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876450 779900801 /nfs/dbraw/zinc/90/08/01/779900801.db2.gz WSTDYJZOIVTEIU-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876450 779900809 /nfs/dbraw/zinc/90/08/09/779900809.db2.gz WSTDYJZOIVTEIU-CYBMUJFWSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492260 779942070 /nfs/dbraw/zinc/94/20/70/779942070.db2.gz ITOVZOXKSCYVPE-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492260 779942072 /nfs/dbraw/zinc/94/20/72/779942072.db2.gz ITOVZOXKSCYVPE-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496523 779943013 /nfs/dbraw/zinc/94/30/13/779943013.db2.gz XHPNXSSKABKBLW-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496523 779943016 /nfs/dbraw/zinc/94/30/16/779943016.db2.gz XHPNXSSKABKBLW-GMTAPVOTSA-N 2 1 313.402 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208570512 779943079 /nfs/dbraw/zinc/94/30/79/779943079.db2.gz ZIGSUIPDGLESLO-NSHDSACASA-N 2 1 322.369 -1.033 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211065746 779966191 /nfs/dbraw/zinc/96/61/91/779966191.db2.gz ZDLWAZXCYAUUIA-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025288 779966927 /nfs/dbraw/zinc/96/69/27/779966927.db2.gz IQODZKDUDMWOHU-OUAUKWLOSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025288 779966930 /nfs/dbraw/zinc/96/69/30/779966930.db2.gz IQODZKDUDMWOHU-OUAUKWLOSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211025288 779966933 /nfs/dbraw/zinc/96/69/33/779966933.db2.gz IQODZKDUDMWOHU-OUAUKWLOSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025288 779966937 /nfs/dbraw/zinc/96/69/37/779966937.db2.gz IQODZKDUDMWOHU-OUAUKWLOSA-N 2 1 311.386 -1.431 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378236 779977519 /nfs/dbraw/zinc/97/75/19/779977519.db2.gz IIBXKVGVPPTDKQ-YNEHKIRRSA-N 2 1 303.403 -1.239 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214386489 779993871 /nfs/dbraw/zinc/99/38/71/779993871.db2.gz IJILRBQUWDWHMA-JHJVBQTASA-N 2 1 312.414 -1.158 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214386489 779993873 /nfs/dbraw/zinc/99/38/73/779993873.db2.gz IJILRBQUWDWHMA-JHJVBQTASA-N 2 1 312.414 -1.158 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930097 780011252 /nfs/dbraw/zinc/01/12/52/780011252.db2.gz OKVYBZLIVYRUEU-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216503711 780015168 /nfs/dbraw/zinc/01/51/68/780015168.db2.gz WLDWAKXIMFHIIE-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]CCN3)ncn2)CC1 ZINC001218572947 780034949 /nfs/dbraw/zinc/03/49/49/780034949.db2.gz PFOXNXIWQLTDHW-NSHDSACASA-N 2 1 305.386 -1.272 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218966168 780045242 /nfs/dbraw/zinc/04/52/42/780045242.db2.gz XBDCOOFFBSMBHR-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP O=C(C[C@H]1CCC[NH2+]C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676448 780132055 /nfs/dbraw/zinc/13/20/55/780132055.db2.gz KUXOHOTUAVQOMU-GFCCVEGCSA-N 2 1 318.443 -1.273 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219678253 780132134 /nfs/dbraw/zinc/13/21/34/780132134.db2.gz ILKCTXIIIKIRTB-MNOVXSKESA-N 2 1 322.406 -1.715 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001219676430 780132192 /nfs/dbraw/zinc/13/21/92/780132192.db2.gz KCMNWMJUMXUORS-JTQLQIEISA-N 2 1 306.388 -2.674 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H](F)C1 ZINC001219676372 780132462 /nfs/dbraw/zinc/13/24/62/780132462.db2.gz HZSZRDQRBYPXLG-MNOVXSKESA-N 2 1 322.406 -1.715 20 0 DAADMP [NH3+]CC(=O)NCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676275 780132602 /nfs/dbraw/zinc/13/26/02/780132602.db2.gz DKOFFXMNVNKXHC-UHFFFAOYSA-N 2 1 307.376 -3.588 20 0 DAADMP CC(C)(C)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676356 780132718 /nfs/dbraw/zinc/13/27/18/780132718.db2.gz HFIIKVMGQVBBFL-JTQLQIEISA-N 2 1 306.432 -1.289 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219678252 780133095 /nfs/dbraw/zinc/13/30/95/780133095.db2.gz ILKCTXIIIKIRTB-GHMZBOCLSA-N 2 1 322.406 -1.715 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001219676556 780133144 /nfs/dbraw/zinc/13/31/44/780133144.db2.gz OUEHDKDPIRBOKJ-MXWKQRLJSA-N 2 1 302.400 -1.912 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001219678614 780134235 /nfs/dbraw/zinc/13/42/35/780134235.db2.gz WJDAANKTACTDFK-VHSXEESVSA-N 2 1 306.388 -3.082 20 0 DAADMP NC1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219678662 780134353 /nfs/dbraw/zinc/13/43/53/780134353.db2.gz YXCAEMRBTGHHDF-UHFFFAOYSA-N 2 1 319.431 -2.582 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219765147 780144206 /nfs/dbraw/zinc/14/42/06/780144206.db2.gz WAIYZDDZUZZRGB-XUJVJEKNSA-N 2 1 307.398 -1.095 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219765147 780144210 /nfs/dbraw/zinc/14/42/10/780144210.db2.gz WAIYZDDZUZZRGB-XUJVJEKNSA-N 2 1 307.398 -1.095 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219806269 780149551 /nfs/dbraw/zinc/14/95/51/780149551.db2.gz PXYGCXUZLJLAHO-MNOVXSKESA-N 2 1 307.354 -2.067 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CCN1 ZINC001219806463 780149792 /nfs/dbraw/zinc/14/97/92/780149792.db2.gz XQFYNMJXIBVSNU-NSHDSACASA-N 2 1 306.370 -2.086 20 0 DAADMP O=C(CN1CC[NH2+]CC1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806473 780149927 /nfs/dbraw/zinc/14/99/27/780149927.db2.gz YBUMOALIFZIYTK-UHFFFAOYSA-N 2 1 320.397 -1.742 20 0 DAADMP N[C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C1 ZINC001219806223 780150035 /nfs/dbraw/zinc/15/00/35/780150035.db2.gz OMGUXFWJKJSKIY-CQSZACIVSA-N 2 1 306.370 -1.956 20 0 DAADMP C[NH2+][C@H](C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H](C)O ZINC001219806231 780150189 /nfs/dbraw/zinc/15/01/89/780150189.db2.gz OQIHQPCIKRDQBS-RNCFNFMXSA-N 2 1 309.370 -1.678 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831333 780153397 /nfs/dbraw/zinc/15/33/97/780153397.db2.gz GXSZPBMYLXIWRL-ZZVYKPCYSA-N 2 1 311.430 -1.770 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833348 780153828 /nfs/dbraw/zinc/15/38/28/780153828.db2.gz CCQDRARTRBEHJU-UXIGCNINSA-N 2 1 323.397 -1.209 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845797 780156718 /nfs/dbraw/zinc/15/67/18/780156718.db2.gz SXODHOSFOBTYGD-MQYQWHSLSA-N 2 1 317.430 -1.259 20 0 DAADMP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1nnn2c1C[NH2+]CC2 ZINC001219854890 780157645 /nfs/dbraw/zinc/15/76/45/780157645.db2.gz ZVHMVCMELVKACU-JBLDHEPKSA-N 2 1 306.370 -1.264 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219869436 780158890 /nfs/dbraw/zinc/15/88/90/780158890.db2.gz LTTOCSQZOHWXPH-UPJWGTAASA-N 2 1 310.402 -1.220 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219869436 780158892 /nfs/dbraw/zinc/15/88/92/780158892.db2.gz LTTOCSQZOHWXPH-UPJWGTAASA-N 2 1 310.402 -1.220 20 0 DAADMP COC(=O)C1(NC(=O)c2nnn3c2C[NH2+]CC3)CC[NH2+]CC1 ZINC001220003163 780168654 /nfs/dbraw/zinc/16/86/54/780168654.db2.gz JQCGOTOJFPCLLE-UHFFFAOYSA-N 2 1 308.342 -1.594 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001219999500 780169434 /nfs/dbraw/zinc/16/94/34/780169434.db2.gz VRJDTCKVSGGXON-VIFPVBQESA-N 2 1 301.343 -1.322 20 0 DAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220045422 780173130 /nfs/dbraw/zinc/17/31/30/780173130.db2.gz YSXSFVHBOAETFP-LBPRGKRZSA-N 2 1 307.402 -1.480 20 0 DAADMP CC(C)C[C@H](NC(=O)CN)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103012 780178166 /nfs/dbraw/zinc/17/81/66/780178166.db2.gz CFRPGYLGSGFJCX-JTQLQIEISA-N 2 1 300.407 -1.063 20 0 DAADMP C[N@H+]1CCC[C@@H]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220252058 780196506 /nfs/dbraw/zinc/19/65/06/780196506.db2.gz MZTOZYCMMICAJO-LLVKDONJSA-N 2 1 306.432 -1.193 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220303872 780200068 /nfs/dbraw/zinc/20/00/68/780200068.db2.gz HABLSYYOLDRXAZ-GDBMZVCRSA-N 3 1 309.458 -1.061 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220304318 780200109 /nfs/dbraw/zinc/20/01/09/780200109.db2.gz YCXUKBVIIWIRPN-ZDUSSCGKSA-N 2 1 311.430 -1.930 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220307042 780201506 /nfs/dbraw/zinc/20/15/06/780201506.db2.gz RENKTUWMSSLQBJ-RYUDHWBXSA-N 2 1 315.418 -2.436 20 0 DAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN(C)CC1 ZINC001220345975 780204067 /nfs/dbraw/zinc/20/40/67/780204067.db2.gz VEYAZBPREDHSQK-LBPRGKRZSA-N 2 1 324.425 -1.061 20 0 DAADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571781 780228819 /nfs/dbraw/zinc/22/88/19/780228819.db2.gz ZURCMRNKMIYTCY-AAEUAGOBSA-N 2 1 312.414 -1.076 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001220637971 780236920 /nfs/dbraw/zinc/23/69/20/780236920.db2.gz QFNZNNKOTRWOSU-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642486 780237480 /nfs/dbraw/zinc/23/74/80/780237480.db2.gz DCHJVDMAGASTGH-YUTCNCBUSA-N 2 1 315.414 -1.361 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220688592 780239028 /nfs/dbraw/zinc/23/90/28/780239028.db2.gz LOSYFYUTUNJVKF-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001220688592 780239034 /nfs/dbraw/zinc/23/90/34/780239034.db2.gz LOSYFYUTUNJVKF-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220688592 780239040 /nfs/dbraw/zinc/23/90/40/780239040.db2.gz LOSYFYUTUNJVKF-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220688592 780239043 /nfs/dbraw/zinc/23/90/43/780239043.db2.gz LOSYFYUTUNJVKF-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771351 780247387 /nfs/dbraw/zinc/24/73/87/780247387.db2.gz PJNPTRVMCRYLCL-XQQFMLRXSA-N 2 1 313.398 -1.749 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220831028 780250051 /nfs/dbraw/zinc/25/00/51/780250051.db2.gz NFJZLNYDJZPHME-UTUOFQBUSA-N 2 1 300.403 -1.247 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220829157 780251062 /nfs/dbraw/zinc/25/10/62/780251062.db2.gz LAXMLLOUIGQOKJ-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCCN1CC[NH2+]CC1=O ZINC001220871892 780253941 /nfs/dbraw/zinc/25/39/41/780253941.db2.gz BPTMHWUEYUTMMT-UPJWGTAASA-N 2 1 310.398 -1.451 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001220872184 780253967 /nfs/dbraw/zinc/25/39/67/780253967.db2.gz NHPWNEZRDBERJF-RKDXNWHRSA-N 2 1 308.304 -1.068 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220875177 780254147 /nfs/dbraw/zinc/25/41/47/780254147.db2.gz WBUVQUPJBAVGHU-CQSZACIVSA-N 2 1 323.441 -1.392 20 0 DAADMP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220874675 780254172 /nfs/dbraw/zinc/25/41/72/780254172.db2.gz LGVCCGWYJQURGU-GFCCVEGCSA-N 2 1 311.430 -1.393 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220874675 780254184 /nfs/dbraw/zinc/25/41/84/780254184.db2.gz LGVCCGWYJQURGU-GFCCVEGCSA-N 2 1 311.430 -1.393 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cnc2n1CC[NH2+]CC2 ZINC001220875975 780254256 /nfs/dbraw/zinc/25/42/56/780254256.db2.gz CRUKSBMOFAZFJY-UHFFFAOYSA-N 2 1 306.370 -1.810 20 0 DAADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874702 780254646 /nfs/dbraw/zinc/25/46/46/780254646.db2.gz MGNQUOIFNPXVQY-NSHDSACASA-N 2 1 313.402 -1.976 20 0 DAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872113 780255055 /nfs/dbraw/zinc/25/50/55/780255055.db2.gz KMGZQMUFZKZWPP-SECBINFHSA-N 2 1 300.363 -2.690 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001220871863 780255410 /nfs/dbraw/zinc/25/54/10/780255410.db2.gz AKEVHBLVPVSFAI-LBPRGKRZSA-N 2 1 310.398 -1.449 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266886 780288031 /nfs/dbraw/zinc/28/80/31/780288031.db2.gz YYBRLDAYJKBHFN-UTLUCORTSA-N 2 1 321.407 -4.274 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@@H]2NCN[C@H]21 ZINC001221266476 780288661 /nfs/dbraw/zinc/28/86/61/780288661.db2.gz WHUBNWAJQSEKHM-RGDJUOJXSA-N 2 1 323.445 -2.421 20 0 DAADMP C[NH2+][C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)[C@@H](C)OC(C)(C)C ZINC001221265832 780288758 /nfs/dbraw/zinc/28/87/58/780288758.db2.gz QDEYFCCTLFUUAK-LVEVGFFFSA-N 2 1 314.434 -1.703 20 0 DAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001221391083 780291972 /nfs/dbraw/zinc/29/19/72/780291972.db2.gz WLXIULGNUVJNFM-SNVBAGLBSA-N 3 1 315.422 -1.174 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230262597 780361877 /nfs/dbraw/zinc/36/18/77/780361877.db2.gz IQTWPURRGUJIEF-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001230262597 780361890 /nfs/dbraw/zinc/36/18/90/780361890.db2.gz IQTWPURRGUJIEF-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001231368809 780380367 /nfs/dbraw/zinc/38/03/67/780380367.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 2 1 315.414 -1.141 20 0 DAADMP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001231368817 780381680 /nfs/dbraw/zinc/38/16/80/780381680.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 2 1 315.414 -1.141 20 0 DAADMP CC1(C)O[C@@H]2O[C@@H](CN3CC[NH2+]C[C@@]34CC[NH2+]C4)[C@@H](O)[C@@H]2O1 ZINC001234982831 780413631 /nfs/dbraw/zinc/41/36/31/780413631.db2.gz WENTXGSIIISRRK-KBRXKUPHSA-N 2 1 313.398 -1.139 20 0 DAADMP C[NH+]1CCN(c2ncc(NS(=O)(=O)CC[NH3+])cn2)CC1 ZINC001237492095 780428833 /nfs/dbraw/zinc/42/88/33/780428833.db2.gz FSZMCBQVSPWTBJ-UHFFFAOYSA-N 2 1 300.388 -1.071 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]2C1 ZINC001239082276 780442365 /nfs/dbraw/zinc/44/23/65/780442365.db2.gz RDJLDXCIMZNRJY-CHWSQXEVSA-N 2 1 321.443 -1.056 20 0 DAADMP [NH3+]C[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H]1O ZINC001239414520 780444380 /nfs/dbraw/zinc/44/43/80/780444380.db2.gz MSBOXEZOLBITTQ-RYUDHWBXSA-N 2 1 302.444 -1.165 20 0 DAADMP [NH3+][C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CC[C@H]1O ZINC001239414287 780445406 /nfs/dbraw/zinc/44/54/06/780445406.db2.gz XNBLEXIFLIDWKN-VXGBXAGGSA-N 2 1 302.444 -1.023 20 0 DAADMP O[C@H](C[NH2+]Cc1nnn2c1C[NH2+]CCC2)CC1(O)CC[NH2+]CC1 ZINC001245985756 780447882 /nfs/dbraw/zinc/44/78/82/780447882.db2.gz MSQNAJOISJFOJF-LBPRGKRZSA-N 3 1 324.429 -1.274 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246001968 780448425 /nfs/dbraw/zinc/44/84/25/780448425.db2.gz JPJCDDHPWSIBHF-UPJWGTAASA-N 2 1 315.414 -1.407 20 0 DAADMP CCOC(=O)[C@]12C[N@H+](C[C@H](O)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001246048309 780450056 /nfs/dbraw/zinc/45/00/56/780450056.db2.gz WQMQCSRFNODDOA-UHIISALHSA-N 2 1 300.355 -1.005 20 0 DAADMP CCOC(=O)[C@]12C[N@@H+](C[C@H](O)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001246048309 780450061 /nfs/dbraw/zinc/45/00/61/780450061.db2.gz WQMQCSRFNODDOA-UHIISALHSA-N 2 1 300.355 -1.005 20 0 DAADMP O=S1(=O)CC[C@H](NC2C[C@@H]3COC[C@H](C2)[NH2+]3)C12C[NH2+]C2 ZINC001246145006 780451103 /nfs/dbraw/zinc/45/11/03/780451103.db2.gz LHHGDGLQYFOTBH-YATPEIPISA-N 2 1 301.412 -1.376 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246213861 780453089 /nfs/dbraw/zinc/45/30/89/780453089.db2.gz QLPZMKFSQFBOFS-UTLUCORTSA-N 2 1 315.374 -1.716 20 0 DAADMP O=C([C@@H]1C[C@H](NC[C@@H]2CC[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246240337 780453232 /nfs/dbraw/zinc/45/32/32/780453232.db2.gz VGAVWNAUVDJIBT-ZDEQEGDKSA-N 2 1 314.455 -1.190 20 0 DAADMP COC(=O)[C@H]([NH3+])CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246334700 780454446 /nfs/dbraw/zinc/45/44/46/780454446.db2.gz PBWNNFRQJBSADD-MXWKQRLJSA-N 2 1 316.427 -1.270 20 0 DAADMP O=C1NCC[C@@]12C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246626023 780455397 /nfs/dbraw/zinc/45/53/97/780455397.db2.gz JDTABDVXZZCNLV-BLLLJJGKSA-N 3 1 305.426 -1.508 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246588026 780455624 /nfs/dbraw/zinc/45/56/24/780455624.db2.gz XOMXDGIAYMNGRQ-SVNGYHJRSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246588026 780455625 /nfs/dbraw/zinc/45/56/25/780455625.db2.gz XOMXDGIAYMNGRQ-SVNGYHJRSA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628592 780455827 /nfs/dbraw/zinc/45/58/27/780455827.db2.gz ODJSSINIICMUKW-UEKVPHQBSA-N 2 1 308.382 -1.699 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CCN1 ZINC001246630621 780456003 /nfs/dbraw/zinc/45/60/03/780456003.db2.gz UERCMYGGMSSHOV-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CCN1 ZINC001246630621 780456007 /nfs/dbraw/zinc/45/60/07/780456007.db2.gz UERCMYGGMSSHOV-NEPJUHHUSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651995 780456606 /nfs/dbraw/zinc/45/66/06/780456606.db2.gz NMHNTJFCVPZCDR-ZOWXZIJZSA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246727643 780457024 /nfs/dbraw/zinc/45/70/24/780457024.db2.gz CXFCYEJNIFTWOR-MCIONIFRSA-N 2 1 323.441 -1.789 20 0 DAADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246761886 780457105 /nfs/dbraw/zinc/45/71/05/780457105.db2.gz WNFZWYZMQDWQQK-XJKSGUPXSA-N 2 1 321.425 -1.497 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670069 780457156 /nfs/dbraw/zinc/45/71/56/780457156.db2.gz WCUQXADBOZIBAL-IPYPFGDCSA-N 2 1 313.398 -1.029 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670072 780457188 /nfs/dbraw/zinc/45/71/88/780457188.db2.gz WCUQXADBOZIBAL-UMVBOHGHSA-N 2 1 313.398 -1.029 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246918369 780458035 /nfs/dbraw/zinc/45/80/35/780458035.db2.gz DXDGMHFPSOBDAA-ZDUSSCGKSA-N 4 1 312.462 -1.804 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246918369 780458037 /nfs/dbraw/zinc/45/80/37/780458037.db2.gz DXDGMHFPSOBDAA-ZDUSSCGKSA-N 4 1 312.462 -1.804 20 0 DAADMP O=C1C[NH2+]CC[C@H](N2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)C1 ZINC001247010227 780458076 /nfs/dbraw/zinc/45/80/76/780458076.db2.gz NOBARKGSEBRGKV-RYDUCSDGSA-N 2 1 315.395 -1.548 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C[NH2+]1 ZINC001246840690 780458205 /nfs/dbraw/zinc/45/82/05/780458205.db2.gz OXBXWZQQNFSZGT-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C[NH2+]1 ZINC001246840689 780458295 /nfs/dbraw/zinc/45/82/95/780458295.db2.gz OXBXWZQQNFSZGT-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1 ZINC001278766323 780484319 /nfs/dbraw/zinc/48/43/19/780484319.db2.gz IVIGRIJZQJOTCY-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766323 780484323 /nfs/dbraw/zinc/48/43/23/780484323.db2.gz IVIGRIJZQJOTCY-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766323 780484329 /nfs/dbraw/zinc/48/43/29/780484329.db2.gz IVIGRIJZQJOTCY-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP CN(C[C@H](O)C[NH2+]CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001278774762 780485385 /nfs/dbraw/zinc/48/53/85/780485385.db2.gz YZQCQJGRPWIQCH-SNVBAGLBSA-N 2 1 300.359 -1.249 20 0 DAADMP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCC[NH+](CCO)CCO ZINC001256320317 780508339 /nfs/dbraw/zinc/50/83/39/780508339.db2.gz LFSGROIEMRIDIG-AWEZNQCLSA-N 2 1 317.430 -1.110 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001256661499 780510645 /nfs/dbraw/zinc/51/06/45/780510645.db2.gz HNAXNMXLTNBXPD-UHFFFAOYSA-N 2 1 323.397 -1.176 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554719 780548714 /nfs/dbraw/zinc/54/87/14/780548714.db2.gz LILZVROAGFZQMS-ZDEQEGDKSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554718 780548790 /nfs/dbraw/zinc/54/87/90/780548790.db2.gz LILZVROAGFZQMS-QNWHQSFQSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001261821770 780560165 /nfs/dbraw/zinc/56/01/65/780560165.db2.gz JVXOPJOZXBYXQM-STQMWFEESA-N 2 1 313.446 -1.208 20 0 DAADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262545994 780574740 /nfs/dbraw/zinc/57/47/40/780574740.db2.gz MYFXMGUXWQHUEZ-ZIAGYGMSSA-N 2 1 324.425 -1.088 20 0 DAADMP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001262562222 780575783 /nfs/dbraw/zinc/57/57/83/780575783.db2.gz TXPXJNJNDXKIPO-INIZCTEOSA-N 2 1 313.490 -1.178 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973595 780588499 /nfs/dbraw/zinc/58/84/99/780588499.db2.gz CPOGXEVMFSOHGX-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973595 780588502 /nfs/dbraw/zinc/58/85/02/780588502.db2.gz CPOGXEVMFSOHGX-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973595 780588504 /nfs/dbraw/zinc/58/85/04/780588504.db2.gz CPOGXEVMFSOHGX-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973595 780588506 /nfs/dbraw/zinc/58/85/06/780588506.db2.gz CPOGXEVMFSOHGX-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001265249970 780596192 /nfs/dbraw/zinc/59/61/92/780596192.db2.gz URVKNIIHBITCGI-ZDUSSCGKSA-N 2 1 313.446 -1.064 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971682 780616237 /nfs/dbraw/zinc/61/62/37/780616237.db2.gz XBIMNUXRKGVGEH-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265971682 780616241 /nfs/dbraw/zinc/61/62/41/780616241.db2.gz XBIMNUXRKGVGEH-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265971682 780616244 /nfs/dbraw/zinc/61/62/44/780616244.db2.gz XBIMNUXRKGVGEH-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001279629176 780624205 /nfs/dbraw/zinc/62/42/05/780624205.db2.gz SVGPQGFVUKFFKG-UHFFFAOYSA-N 2 1 311.386 -1.119 20 0 DAADMP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001279629176 780624209 /nfs/dbraw/zinc/62/42/09/780624209.db2.gz SVGPQGFVUKFFKG-UHFFFAOYSA-N 2 1 311.386 -1.119 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001283376804 780758485 /nfs/dbraw/zinc/75/84/85/780758485.db2.gz HJWJPHGEZVIQFO-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001283376804 780758489 /nfs/dbraw/zinc/75/84/89/780758489.db2.gz HJWJPHGEZVIQFO-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001283376804 780758495 /nfs/dbraw/zinc/75/84/95/780758495.db2.gz HJWJPHGEZVIQFO-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001283376804 780758499 /nfs/dbraw/zinc/75/84/99/780758499.db2.gz HJWJPHGEZVIQFO-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283830868 780782454 /nfs/dbraw/zinc/78/24/54/780782454.db2.gz HKZFEHJCZAESBL-MNOVXSKESA-N 2 1 314.386 -1.802 20 0 DAADMP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH2+]CCC[NH3+] ZINC001160439304 781362177 /nfs/dbraw/zinc/36/21/77/781362177.db2.gz JOEIDPNHVMWYQM-JTQLQIEISA-N 2 1 300.359 -1.795 20 0 DAADMP CN(CC(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1)C(N)=[NH2+] ZINC001144129310 781365865 /nfs/dbraw/zinc/36/58/65/781365865.db2.gz ZNYINPYBISCACN-UHFFFAOYSA-N 2 1 306.374 -1.008 20 0 DAADMP CN(CC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1)C(N)=[NH2+] ZINC001144129259 781365945 /nfs/dbraw/zinc/36/59/45/781365945.db2.gz XFXCCMBKJVVSKG-UHFFFAOYSA-N 2 1 306.374 -1.008 20 0 DAADMP CC=C(NC=[NH2+])Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171260984 781407086 /nfs/dbraw/zinc/40/70/86/781407086.db2.gz IWKLPWUANRGGNP-GSTXMSBESA-N 2 1 324.341 -1.875 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038451 781408866 /nfs/dbraw/zinc/40/88/66/781408866.db2.gz MAIQHFGELNKIIX-VIKVFOODSA-N 2 1 324.425 -1.110 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038451 781408869 /nfs/dbraw/zinc/40/88/69/781408869.db2.gz MAIQHFGELNKIIX-VIKVFOODSA-N 2 1 324.425 -1.110 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147891928 781458842 /nfs/dbraw/zinc/45/88/42/781458842.db2.gz DZQJWRNYXWECIZ-NSHDSACASA-N 2 1 311.386 -1.414 20 0 DAADMP CN(CC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001147885975 781458862 /nfs/dbraw/zinc/45/88/62/781458862.db2.gz QSHINVUGZQPJNO-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CCCn1nnnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894001 781459004 /nfs/dbraw/zinc/45/90/04/781459004.db2.gz XIXIEXBKLNBPGC-UHFFFAOYSA-N 2 1 313.406 -1.133 20 0 DAADMP C[N@H+]1CCC[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21 ZINC001161081414 781460392 /nfs/dbraw/zinc/46/03/92/781460392.db2.gz JNFVSAFPXRGXTE-RYUDHWBXSA-N 2 1 318.443 -1.241 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877424 781461416 /nfs/dbraw/zinc/46/14/16/781461416.db2.gz JUPYFNXALQOKKN-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001093213964 781508151 /nfs/dbraw/zinc/50/81/51/781508151.db2.gz JKYRSHSERMSSIO-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001093213964 781508155 /nfs/dbraw/zinc/50/81/55/781508155.db2.gz JKYRSHSERMSSIO-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213964 781508158 /nfs/dbraw/zinc/50/81/58/781508158.db2.gz JKYRSHSERMSSIO-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213964 781508161 /nfs/dbraw/zinc/50/81/61/781508161.db2.gz JKYRSHSERMSSIO-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001176056642 781614152 /nfs/dbraw/zinc/61/41/52/781614152.db2.gz JAPAPNBTLWJGOJ-LLVKDONJSA-N 2 1 306.432 -1.417 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176134522 781614188 /nfs/dbraw/zinc/61/41/88/781614188.db2.gz ZLRGILREZBKRDI-UHFFFAOYSA-N 2 1 310.358 -1.257 20 0 DAADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001176379958 781618068 /nfs/dbraw/zinc/61/80/68/781618068.db2.gz MSGGFYOEJPCYTL-LLVKDONJSA-N 2 1 309.374 -1.082 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176627040 781621290 /nfs/dbraw/zinc/62/12/90/781621290.db2.gz GURYHOISHSFBNZ-CYBMUJFWSA-N 2 1 303.403 -1.188 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001176627040 781621295 /nfs/dbraw/zinc/62/12/95/781621295.db2.gz GURYHOISHSFBNZ-CYBMUJFWSA-N 2 1 303.403 -1.188 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176643948 781622420 /nfs/dbraw/zinc/62/24/20/781622420.db2.gz KQTFCGGBSBKAGN-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176643948 781622422 /nfs/dbraw/zinc/62/24/22/781622422.db2.gz KQTFCGGBSBKAGN-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001181822490 781695163 /nfs/dbraw/zinc/69/51/63/781695163.db2.gz QPMDMOIHPGYMMS-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001181822490 781695169 /nfs/dbraw/zinc/69/51/69/781695169.db2.gz QPMDMOIHPGYMMS-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183250057 781724126 /nfs/dbraw/zinc/72/41/26/781724126.db2.gz YNNVHYCQPVGXON-OLZOCXBDSA-N 2 1 322.413 -1.250 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183647779 781729079 /nfs/dbraw/zinc/72/90/79/781729079.db2.gz LBNGPWBBCVNUIB-GHMZBOCLSA-N 2 1 311.386 -1.144 20 0 DAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)O1 ZINC001186055328 781773097 /nfs/dbraw/zinc/77/30/97/781773097.db2.gz PGFRITUNHNRWFS-SFTQSGBHSA-N 2 1 301.387 -1.106 20 0 DAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)O1 ZINC001186055328 781773103 /nfs/dbraw/zinc/77/31/03/781773103.db2.gz PGFRITUNHNRWFS-SFTQSGBHSA-N 2 1 301.387 -1.106 20 0 DAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186116226 781774199 /nfs/dbraw/zinc/77/41/99/781774199.db2.gz BWDGSIPOQBOPIL-NSHDSACASA-N 2 1 315.370 -1.168 20 0 DAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186116226 781774203 /nfs/dbraw/zinc/77/42/03/781774203.db2.gz BWDGSIPOQBOPIL-NSHDSACASA-N 2 1 315.370 -1.168 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187083346 781795429 /nfs/dbraw/zinc/79/54/29/781795429.db2.gz FJKARKLRTPEILX-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188145889 781816923 /nfs/dbraw/zinc/81/69/23/781816923.db2.gz PMTKAKGAHFIHRE-LLVKDONJSA-N 2 1 313.402 -1.027 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189041229 781834340 /nfs/dbraw/zinc/83/43/40/781834340.db2.gz PMTKBTKNNQPISQ-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189041229 781834349 /nfs/dbraw/zinc/83/43/49/781834349.db2.gz PMTKBTKNNQPISQ-WDEREUQCSA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148741 781861694 /nfs/dbraw/zinc/86/16/94/781861694.db2.gz JJWDAMZZLULNEP-SDDRHHMPSA-N 2 1 323.397 -1.334 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148741 781861708 /nfs/dbraw/zinc/86/17/08/781861708.db2.gz JJWDAMZZLULNEP-SDDRHHMPSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148741 781861722 /nfs/dbraw/zinc/86/17/22/781861722.db2.gz JJWDAMZZLULNEP-SDDRHHMPSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148741 781861729 /nfs/dbraw/zinc/86/17/29/781861729.db2.gz JJWDAMZZLULNEP-SDDRHHMPSA-N 2 1 323.397 -1.334 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126187 781907802 /nfs/dbraw/zinc/90/78/02/781907802.db2.gz JPIUDYZREQONSY-KZVDOYCCSA-N 2 1 312.414 -1.125 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001376942148 921752739 /nfs/dbraw/zinc/75/27/39/921752739.db2.gz KLXFQPLBCHOJRL-NSHDSACASA-N 2 1 322.369 -1.175 20 0 DAADMP CNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001377266603 921793560 /nfs/dbraw/zinc/79/35/60/921793560.db2.gz OKVYBZLIVYRUEU-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](O)COC ZINC001377294666 921801172 /nfs/dbraw/zinc/80/11/72/921801172.db2.gz NOTCVWKITFLLMB-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](O)COC ZINC001377294666 921801184 /nfs/dbraw/zinc/80/11/84/921801184.db2.gz NOTCVWKITFLLMB-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](O)COC ZINC001377294666 921801201 /nfs/dbraw/zinc/80/12/01/921801201.db2.gz NOTCVWKITFLLMB-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](O)COC ZINC001377294666 921801219 /nfs/dbraw/zinc/80/12/19/921801219.db2.gz NOTCVWKITFLLMB-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001377340345 921806130 /nfs/dbraw/zinc/80/61/30/921806130.db2.gz NUMKYBNJJIUKMN-QWHCGFSZSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001377340345 921806137 /nfs/dbraw/zinc/80/61/37/921806137.db2.gz NUMKYBNJJIUKMN-QWHCGFSZSA-N 2 1 315.414 -1.359 20 0 DAADMP [NH3+]CCOCCOCCOCCNC[C@@]1(O)CCC[NH2+]C1 ZINC001245994039 916170410 /nfs/dbraw/zinc/17/04/10/916170410.db2.gz OAIHRSYJOZUDLS-CQSZACIVSA-N 2 1 305.419 -1.301 20 0 DAADMP CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001316760693 916224335 /nfs/dbraw/zinc/22/43/35/916224335.db2.gz IHUJJVCRMUJXAG-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001316760693 916224351 /nfs/dbraw/zinc/22/43/51/916224351.db2.gz IHUJJVCRMUJXAG-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001316760693 916224374 /nfs/dbraw/zinc/22/43/74/916224374.db2.gz IHUJJVCRMUJXAG-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001316760693 916224400 /nfs/dbraw/zinc/22/44/00/916224400.db2.gz IHUJJVCRMUJXAG-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317662251 916346624 /nfs/dbraw/zinc/34/66/24/916346624.db2.gz XBWCHZHUGHYANG-LLVKDONJSA-N 2 1 311.386 -1.462 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001321011331 916540084 /nfs/dbraw/zinc/54/00/84/916540084.db2.gz DAFWESVLKTWEEC-XDYXTIEYSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001321011331 916540110 /nfs/dbraw/zinc/54/01/10/916540110.db2.gz DAFWESVLKTWEEC-XDYXTIEYSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)C1 ZINC001321011330 916541471 /nfs/dbraw/zinc/54/14/71/916541471.db2.gz DAFWESVLKTWEEC-KQZHAYLCSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)C1 ZINC001321011330 916541481 /nfs/dbraw/zinc/54/14/81/916541481.db2.gz DAFWESVLKTWEEC-KQZHAYLCSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCNC2=O)C1 ZINC001321011329 916541546 /nfs/dbraw/zinc/54/15/46/916541546.db2.gz DAFWESVLKTWEEC-IVPXFZNXSA-N 2 1 310.398 -1.142 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCNC2=O)C1 ZINC001321011329 916541556 /nfs/dbraw/zinc/54/15/56/916541556.db2.gz DAFWESVLKTWEEC-IVPXFZNXSA-N 2 1 310.398 -1.142 20 0 DAADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001325997531 916880170 /nfs/dbraw/zinc/88/01/70/916880170.db2.gz RUMVLMRRPKQPEA-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001325997531 916880182 /nfs/dbraw/zinc/88/01/82/916880182.db2.gz RUMVLMRRPKQPEA-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)C[NH3+] ZINC001326004061 916883504 /nfs/dbraw/zinc/88/35/04/916883504.db2.gz ARTFMYDEUNLCEG-LLVKDONJSA-N 2 1 313.402 -1.880 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1 ZINC001326069455 916890705 /nfs/dbraw/zinc/89/07/05/916890705.db2.gz AFRAQHMELCDZFM-CYBMUJFWSA-N 2 1 312.414 -1.230 20 0 DAADMP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326146378 916901354 /nfs/dbraw/zinc/90/13/54/916901354.db2.gz KSFFULHYJRKJSO-LBPRGKRZSA-N 2 1 300.403 -1.515 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326149510 916901708 /nfs/dbraw/zinc/90/17/08/916901708.db2.gz XTQPTUPTCMTHQU-NSHDSACASA-N 2 1 302.375 -2.397 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326149510 916901717 /nfs/dbraw/zinc/90/17/17/916901717.db2.gz XTQPTUPTCMTHQU-NSHDSACASA-N 2 1 302.375 -2.397 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001327584395 917027345 /nfs/dbraw/zinc/02/73/45/917027345.db2.gz PLBSUJAVGZAOSP-UHFFFAOYSA-N 2 1 313.446 -1.111 20 0 DAADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327708559 917038102 /nfs/dbraw/zinc/03/81/02/917038102.db2.gz YSOXHUJVEAGNCV-ZDEQEGDKSA-N 2 1 310.398 -1.541 20 0 DAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001327831379 917044357 /nfs/dbraw/zinc/04/43/57/917044357.db2.gz WZYBJNYDJXQOQN-ZDUSSCGKSA-N 2 1 311.430 -1.393 20 0 DAADMP CN1CC[NH+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001328593532 917098805 /nfs/dbraw/zinc/09/88/05/917098805.db2.gz KUMFRKDRWKTUBR-ZDUSSCGKSA-N 2 1 311.430 -1.392 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC001328971005 917125026 /nfs/dbraw/zinc/12/50/26/917125026.db2.gz DDTYIPYLKVTGFO-GFCCVEGCSA-N 2 1 315.418 -2.170 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329437770 917167074 /nfs/dbraw/zinc/16/70/74/917167074.db2.gz MMZKCXUWKNGUGQ-GFCCVEGCSA-N 2 1 315.418 -2.218 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001329726919 917194803 /nfs/dbraw/zinc/19/48/03/917194803.db2.gz YQIIQXPPOVIDTF-GFCCVEGCSA-N 2 1 311.430 -1.406 20 0 DAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]2C1=O ZINC001329744334 917197307 /nfs/dbraw/zinc/19/73/07/917197307.db2.gz XVYOUMJOSCIAEU-SDDRHHMPSA-N 2 1 308.382 -1.270 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001331119784 917280500 /nfs/dbraw/zinc/28/05/00/917280500.db2.gz PVETZCLYLREKTH-RWMBFGLXSA-N 2 1 311.430 -1.266 20 0 DAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001331141790 917280667 /nfs/dbraw/zinc/28/06/67/917280667.db2.gz YDADDJIBPRXWIJ-UPJWGTAASA-N 2 1 312.414 -1.076 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001331573121 917299943 /nfs/dbraw/zinc/29/99/43/917299943.db2.gz NVUBGUZLKGGYFI-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331742427 917327687 /nfs/dbraw/zinc/32/76/87/917327687.db2.gz BGAWOXFREGIWEA-JHJVBQTASA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001331772610 917334260 /nfs/dbraw/zinc/33/42/60/917334260.db2.gz PTQOVDXONOHAAJ-NWDGAFQWSA-N 2 1 321.443 -1.418 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@@H]21 ZINC001332426318 917369337 /nfs/dbraw/zinc/36/93/37/917369337.db2.gz DXEXEHCAQGQEQT-OLZOCXBDSA-N 2 1 309.414 -1.830 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001332412129 917370481 /nfs/dbraw/zinc/37/04/81/917370481.db2.gz MUQMYRZSIFXRKI-CJNGLKHVSA-N 2 1 324.425 -1.005 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001332603161 917392287 /nfs/dbraw/zinc/39/22/87/917392287.db2.gz VFUWMBHNOCWXCM-NEPJUHHUSA-N 2 1 321.443 -1.608 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001333377638 917439445 /nfs/dbraw/zinc/43/94/45/917439445.db2.gz HZTVUOLCDUSWBD-WOSRLPQWSA-N 2 1 323.441 -1.584 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C1=CC[N@@H+](C)CC1 ZINC001335187606 917530053 /nfs/dbraw/zinc/53/00/53/917530053.db2.gz NJWKJYOXKZZFLJ-CYBMUJFWSA-N 2 1 323.441 -1.226 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001335801852 917561185 /nfs/dbraw/zinc/56/11/85/917561185.db2.gz MFKNYGFKCVVBDJ-RQJABVFESA-N 2 1 324.425 -1.103 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335751726 917561700 /nfs/dbraw/zinc/56/17/00/917561700.db2.gz RCFJOLZFWYEWIC-UMSGYPCISA-N 2 1 309.414 -1.643 20 0 DAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001336572569 917590699 /nfs/dbraw/zinc/59/06/99/917590699.db2.gz KJIGVAQEGFGRPA-UHFFFAOYSA-N 2 1 311.430 -1.264 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001336558567 917592144 /nfs/dbraw/zinc/59/21/44/917592144.db2.gz XSYUWDBPRYCYBL-FRRDWIJNSA-N 2 1 311.430 -1.680 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001336558565 917592373 /nfs/dbraw/zinc/59/23/73/917592373.db2.gz XSYUWDBPRYCYBL-AGIUHOORSA-N 2 1 311.430 -1.680 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H](O)C[NH3+] ZINC001340076413 917726870 /nfs/dbraw/zinc/72/68/70/917726870.db2.gz ZCOBOECJKXFNBZ-VXGBXAGGSA-N 2 1 300.403 -1.245 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H](O)C[NH3+] ZINC001340076410 917727502 /nfs/dbraw/zinc/72/75/02/917727502.db2.gz ZCOBOECJKXFNBZ-NEPJUHHUSA-N 2 1 300.403 -1.245 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340044658 917727817 /nfs/dbraw/zinc/72/78/17/917727817.db2.gz MWIHGVFUNOFWTB-GFCCVEGCSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H](O)C[NH3+] ZINC001340076412 917728073 /nfs/dbraw/zinc/72/80/73/917728073.db2.gz ZCOBOECJKXFNBZ-RYUDHWBXSA-N 2 1 300.403 -1.245 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H](O)C[NH3+] ZINC001340076411 917728172 /nfs/dbraw/zinc/72/81/72/917728172.db2.gz ZCOBOECJKXFNBZ-NWDGAFQWSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340929836 917744966 /nfs/dbraw/zinc/74/49/66/917744966.db2.gz LXKMVVLMTGALJX-RBSFLKMASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340929830 917745639 /nfs/dbraw/zinc/74/56/39/917745639.db2.gz LXKMVVLMTGALJX-KFWWJZLASA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340929827 917746411 /nfs/dbraw/zinc/74/64/11/917746411.db2.gz LXKMVVLMTGALJX-ILXRZTDVSA-N 2 1 307.442 -1.119 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341511880 917761257 /nfs/dbraw/zinc/76/12/57/917761257.db2.gz LTRQHZJPSAVIKY-AWEZNQCLSA-N 2 1 313.446 -1.208 20 0 DAADMP [NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001345957985 917865888 /nfs/dbraw/zinc/86/58/88/917865888.db2.gz FYQIMKTUIUGKCO-STQMWFEESA-N 2 1 312.414 -1.101 20 0 DAADMP [NH3+]CCOCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001349892860 918040678 /nfs/dbraw/zinc/04/06/78/918040678.db2.gz IMVAEOYYWDYIQA-AWEZNQCLSA-N 2 1 314.430 -1.126 20 0 DAADMP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001349892862 918041621 /nfs/dbraw/zinc/04/16/21/918041621.db2.gz IMVAEOYYWDYIQA-CQSZACIVSA-N 2 1 314.430 -1.126 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001352080807 918115180 /nfs/dbraw/zinc/11/51/80/918115180.db2.gz PSEHCGHHGDZINT-DZGCQCFKSA-N 2 1 307.442 -1.167 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001353054930 918139260 /nfs/dbraw/zinc/13/92/60/918139260.db2.gz FGENQOHWHKARKY-LBPRGKRZSA-N 2 1 313.446 -1.018 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1C ZINC001353121183 918144812 /nfs/dbraw/zinc/14/48/12/918144812.db2.gz HJKKKPPJVWSUDB-XUJVJEKNSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366095470 919280538 /nfs/dbraw/zinc/28/05/38/919280538.db2.gz ZARRJSQVYOIHSW-GARJFASQSA-N 2 1 311.386 -1.146 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001366397049 919325469 /nfs/dbraw/zinc/32/54/69/919325469.db2.gz GOQLGTWXRXFYEW-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001366397049 919325485 /nfs/dbraw/zinc/32/54/85/919325485.db2.gz GOQLGTWXRXFYEW-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](O)COC)C1 ZINC001366593711 919354165 /nfs/dbraw/zinc/35/41/65/919354165.db2.gz ZGCCTFLBDAQLQK-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C[C@@H](O)COC)C1 ZINC001366593711 919354180 /nfs/dbraw/zinc/35/41/80/919354180.db2.gz ZGCCTFLBDAQLQK-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C[C@@H](O)COC)C1 ZINC001366593711 919354193 /nfs/dbraw/zinc/35/41/93/919354193.db2.gz ZGCCTFLBDAQLQK-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)C1 ZINC001366593711 919354199 /nfs/dbraw/zinc/35/41/99/919354199.db2.gz ZGCCTFLBDAQLQK-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366692104 919365488 /nfs/dbraw/zinc/36/54/88/919365488.db2.gz DMILTXLSTHOURX-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366692104 919365503 /nfs/dbraw/zinc/36/55/03/919365503.db2.gz DMILTXLSTHOURX-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366692107 919366563 /nfs/dbraw/zinc/36/65/63/919366563.db2.gz DMILTXLSTHOURX-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366692107 919366581 /nfs/dbraw/zinc/36/65/81/919366581.db2.gz DMILTXLSTHOURX-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP COC[C@H](O)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734432 919373347 /nfs/dbraw/zinc/37/33/47/919373347.db2.gz RVEKWKAJHJLFLL-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001366734432 919373362 /nfs/dbraw/zinc/37/33/62/919373362.db2.gz RVEKWKAJHJLFLL-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001366734432 919373389 /nfs/dbraw/zinc/37/33/89/919373389.db2.gz RVEKWKAJHJLFLL-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001366734432 919373407 /nfs/dbraw/zinc/37/34/07/919373407.db2.gz RVEKWKAJHJLFLL-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001366765112 919376638 /nfs/dbraw/zinc/37/66/38/919376638.db2.gz RXZOFUMQVGYLFX-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293280 919447906 /nfs/dbraw/zinc/44/79/06/919447906.db2.gz YJXXSLWGAOFCMF-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293280 919447917 /nfs/dbraw/zinc/44/79/17/919447917.db2.gz YJXXSLWGAOFCMF-NWDGAFQWSA-N 2 1 300.403 -1.205 20 0 DAADMP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367583443 919493533 /nfs/dbraw/zinc/49/35/33/919493533.db2.gz QILGTXLEMAPEDA-STQMWFEESA-N 2 1 310.402 -1.041 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367585158 919494272 /nfs/dbraw/zinc/49/42/72/919494272.db2.gz FNHOMSYWWJBNHJ-FRRDWIJNSA-N 2 1 314.430 -1.082 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585499 919494540 /nfs/dbraw/zinc/49/45/40/919494540.db2.gz NRFVUCBPOGARQP-NWDGAFQWSA-N 2 1 314.386 -2.338 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585499 919494552 /nfs/dbraw/zinc/49/45/52/919494552.db2.gz NRFVUCBPOGARQP-NWDGAFQWSA-N 2 1 314.386 -2.338 20 0 DAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367586827 919497349 /nfs/dbraw/zinc/49/73/49/919497349.db2.gz PLHCSSKRSJAIKK-STQMWFEESA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367586827 919497363 /nfs/dbraw/zinc/49/73/63/919497363.db2.gz PLHCSSKRSJAIKK-STQMWFEESA-N 2 1 311.386 -1.683 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001367586330 919497576 /nfs/dbraw/zinc/49/75/76/919497576.db2.gz GUPSXHAFMPONJL-KGYLQXTDSA-N 2 1 312.414 -1.328 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585504 919497860 /nfs/dbraw/zinc/49/78/60/919497860.db2.gz NRFVUCBPOGARQP-RYUDHWBXSA-N 2 1 314.386 -2.338 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001367585504 919497871 /nfs/dbraw/zinc/49/78/71/919497871.db2.gz NRFVUCBPOGARQP-RYUDHWBXSA-N 2 1 314.386 -2.338 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367599588 919511910 /nfs/dbraw/zinc/51/19/10/919511910.db2.gz GRZCFIORCCMVAH-LLVKDONJSA-N 2 1 311.390 -1.881 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367601266 919515410 /nfs/dbraw/zinc/51/54/10/919515410.db2.gz BARYPXDJXGETNA-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367625508 919538746 /nfs/dbraw/zinc/53/87/46/919538746.db2.gz QRZUZVNRIAOFII-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367628043 919540319 /nfs/dbraw/zinc/54/03/19/919540319.db2.gz WMNPFVRQZCUZNY-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629283 919545520 /nfs/dbraw/zinc/54/55/20/919545520.db2.gz ISYIOALXGKWAID-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629283 919545529 /nfs/dbraw/zinc/54/55/29/919545529.db2.gz ISYIOALXGKWAID-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001367666386 919550127 /nfs/dbraw/zinc/55/01/27/919550127.db2.gz QZUPNLQTRSBIMI-KBPBESRZSA-N 2 1 315.414 -1.188 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367790724 919573928 /nfs/dbraw/zinc/57/39/28/919573928.db2.gz SWBFTXOXZUGDGU-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367790724 919573944 /nfs/dbraw/zinc/57/39/44/919573944.db2.gz SWBFTXOXZUGDGU-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367790724 919573955 /nfs/dbraw/zinc/57/39/55/919573955.db2.gz SWBFTXOXZUGDGU-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367790724 919573966 /nfs/dbraw/zinc/57/39/66/919573966.db2.gz SWBFTXOXZUGDGU-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)NC(N)=O ZINC001367994260 919599494 /nfs/dbraw/zinc/59/94/94/919599494.db2.gz YXHJKYZZBCUZJJ-NXEZZACHSA-N 2 1 311.386 -1.098 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001367991346 919601246 /nfs/dbraw/zinc/60/12/46/919601246.db2.gz NQLOWQFPFWMTDW-LBPRGKRZSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001367991346 919601251 /nfs/dbraw/zinc/60/12/51/919601251.db2.gz NQLOWQFPFWMTDW-LBPRGKRZSA-N 2 1 310.398 -1.212 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368249487 919634861 /nfs/dbraw/zinc/63/48/61/919634861.db2.gz UGFPOGWUZWRWOK-XJKSGUPXSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368249487 919634867 /nfs/dbraw/zinc/63/48/67/919634867.db2.gz UGFPOGWUZWRWOK-XJKSGUPXSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368249483 919635959 /nfs/dbraw/zinc/63/59/59/919635959.db2.gz UGFPOGWUZWRWOK-CJNGLKHVSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368249483 919635977 /nfs/dbraw/zinc/63/59/77/919635977.db2.gz UGFPOGWUZWRWOK-CJNGLKHVSA-N 2 1 324.425 -1.373 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001368247042 919636972 /nfs/dbraw/zinc/63/69/72/919636972.db2.gz GFSLDWLPLNNFMT-DOMZBBRYSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001368247042 919636981 /nfs/dbraw/zinc/63/69/81/919636981.db2.gz GFSLDWLPLNNFMT-DOMZBBRYSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001368247047 919637106 /nfs/dbraw/zinc/63/71/06/919637106.db2.gz GFSLDWLPLNNFMT-SWLSCSKDSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001368247047 919637113 /nfs/dbraw/zinc/63/71/13/919637113.db2.gz GFSLDWLPLNNFMT-SWLSCSKDSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368254018 919640310 /nfs/dbraw/zinc/64/03/10/919640310.db2.gz ABOASTMMAZMZEN-CQSZACIVSA-N 2 1 310.402 -1.217 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368254014 919641649 /nfs/dbraw/zinc/64/16/49/919641649.db2.gz ABOASTMMAZMZEN-AWEZNQCLSA-N 2 1 310.402 -1.217 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368280627 919658503 /nfs/dbraw/zinc/65/85/03/919658503.db2.gz BLYSMQHMLAYBNA-HNNXBMFYSA-N 2 1 322.413 -1.073 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368292252 919670103 /nfs/dbraw/zinc/67/01/03/919670103.db2.gz YOEACNRPECSCOS-DZGCQCFKSA-N 2 1 315.414 -1.500 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368362483 919701850 /nfs/dbraw/zinc/70/18/50/919701850.db2.gz YBTWLPDRGVVBNH-CYBMUJFWSA-N 2 1 311.430 -1.264 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001368415405 919719942 /nfs/dbraw/zinc/71/99/42/919719942.db2.gz UITOLZZHDCIDTF-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508505 919733517 /nfs/dbraw/zinc/73/35/17/919733517.db2.gz GODYNVMNVKKONN-VXGBXAGGSA-N 2 1 314.386 -1.991 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001368508505 919733534 /nfs/dbraw/zinc/73/35/34/919733534.db2.gz GODYNVMNVKKONN-VXGBXAGGSA-N 2 1 314.386 -1.991 20 0 DAADMP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@H+](C)CC(N)=O ZINC001368944798 919790543 /nfs/dbraw/zinc/79/05/43/919790543.db2.gz ZRZKRBLSBKRLKQ-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[N@@H+](C)CC(N)=O ZINC001368944798 919790551 /nfs/dbraw/zinc/79/05/51/919790551.db2.gz ZRZKRBLSBKRLKQ-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369342419 919880451 /nfs/dbraw/zinc/88/04/51/919880451.db2.gz TXLPOSGFJRRSME-STQMWFEESA-N 2 1 310.402 -1.171 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001369349149 919887964 /nfs/dbraw/zinc/88/79/64/919887964.db2.gz WOSWBXQFFYQPPB-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001369365981 919904078 /nfs/dbraw/zinc/90/40/78/919904078.db2.gz PPCMVEYMFBYLRW-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369365981 919904091 /nfs/dbraw/zinc/90/40/91/919904091.db2.gz PPCMVEYMFBYLRW-NWDGAFQWSA-N 2 1 300.403 -1.469 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001369370774 919906039 /nfs/dbraw/zinc/90/60/39/919906039.db2.gz FIJCZCZESPBWAU-RYUDHWBXSA-N 2 1 302.419 -1.130 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001369381496 919913583 /nfs/dbraw/zinc/91/35/83/919913583.db2.gz NTNJONSFTFZIGA-RYUDHWBXSA-N 2 1 321.443 -1.561 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001369381497 919913616 /nfs/dbraw/zinc/91/36/16/919913616.db2.gz NTNJONSFTFZIGA-VXGBXAGGSA-N 2 1 321.443 -1.561 20 0 DAADMP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001369383319 919918908 /nfs/dbraw/zinc/91/89/08/919918908.db2.gz NKSKMIRQYIABHL-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001369383326 919920031 /nfs/dbraw/zinc/92/00/31/919920031.db2.gz NKSKMIRQYIABHL-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369476596 919951552 /nfs/dbraw/zinc/95/15/52/919951552.db2.gz QSNIUAGKMZDMLJ-QWHCGFSZSA-N 2 1 310.402 -1.182 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001369477222 919954139 /nfs/dbraw/zinc/95/41/39/919954139.db2.gz BBBJDDDWPTYLPB-CHWSQXEVSA-N 2 1 323.397 -1.169 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001369484329 919956332 /nfs/dbraw/zinc/95/63/32/919956332.db2.gz SWKNHDIQLUTAJY-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001369482373 919958251 /nfs/dbraw/zinc/95/82/51/919958251.db2.gz JRGBIIZDIUPYJC-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369484317 919959036 /nfs/dbraw/zinc/95/90/36/919959036.db2.gz SWKNHDIQLUTAJY-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490884 919966709 /nfs/dbraw/zinc/96/67/09/919966709.db2.gz QOYVFNYFEISFCL-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001369490884 919966719 /nfs/dbraw/zinc/96/67/19/919966719.db2.gz QOYVFNYFEISFCL-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369500900 919970568 /nfs/dbraw/zinc/97/05/68/919970568.db2.gz GRISIDRQDHZVPF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369500900 919970580 /nfs/dbraw/zinc/97/05/80/919970580.db2.gz GRISIDRQDHZVPF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369500900 919970595 /nfs/dbraw/zinc/97/05/95/919970595.db2.gz GRISIDRQDHZVPF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369500900 919970602 /nfs/dbraw/zinc/97/06/02/919970602.db2.gz GRISIDRQDHZVPF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001369512344 919975671 /nfs/dbraw/zinc/97/56/71/919975671.db2.gz KDHNYSXCMGXXLN-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001369512344 919975682 /nfs/dbraw/zinc/97/56/82/919975682.db2.gz KDHNYSXCMGXXLN-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369512344 919975692 /nfs/dbraw/zinc/97/56/92/919975692.db2.gz KDHNYSXCMGXXLN-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369512344 919975706 /nfs/dbraw/zinc/97/57/06/919975706.db2.gz KDHNYSXCMGXXLN-CHWSQXEVSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369510670 919977550 /nfs/dbraw/zinc/97/75/50/919977550.db2.gz QQEAKYWZFCAIBH-CYBMUJFWSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369510670 919977560 /nfs/dbraw/zinc/97/75/60/919977560.db2.gz QQEAKYWZFCAIBH-CYBMUJFWSA-N 2 1 314.430 -1.175 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515794 919983604 /nfs/dbraw/zinc/98/36/04/919983604.db2.gz SGXSBLUNISUZFS-NWDGAFQWSA-N 2 1 302.419 -1.176 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515794 919983617 /nfs/dbraw/zinc/98/36/17/919983617.db2.gz SGXSBLUNISUZFS-NWDGAFQWSA-N 2 1 302.419 -1.176 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370357833 920053524 /nfs/dbraw/zinc/05/35/24/920053524.db2.gz QXEUMEKOPDEBOI-AVGNSLFASA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370357833 920053537 /nfs/dbraw/zinc/05/35/37/920053537.db2.gz QXEUMEKOPDEBOI-AVGNSLFASA-N 2 1 301.387 -1.485 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001370409512 920056366 /nfs/dbraw/zinc/05/63/66/920056366.db2.gz VDGJIMXCCRJERV-ONGXEEELSA-N 2 1 322.369 -1.035 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001370450196 920058725 /nfs/dbraw/zinc/05/87/25/920058725.db2.gz ZHEFVWICAZJXID-NAKRPEOUSA-N 2 1 311.386 -1.099 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370617250 920075847 /nfs/dbraw/zinc/07/58/47/920075847.db2.gz QYNRJKOLJWWDKD-XQHKEYJVSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370617250 920075864 /nfs/dbraw/zinc/07/58/64/920075864.db2.gz QYNRJKOLJWWDKD-XQHKEYJVSA-N 2 1 301.387 -1.439 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478593 920270385 /nfs/dbraw/zinc/27/03/85/920270385.db2.gz UBXVQXXCAZAUHG-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478593 920270397 /nfs/dbraw/zinc/27/03/97/920270397.db2.gz UBXVQXXCAZAUHG-NEPJUHHUSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)NC(N)=O ZINC001372400942 920371488 /nfs/dbraw/zinc/37/14/88/920371488.db2.gz UUFLHIQSQTVUFP-UHFFFAOYSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)NC(N)=O ZINC001372400942 920371503 /nfs/dbraw/zinc/37/15/03/920371503.db2.gz UUFLHIQSQTVUFP-UHFFFAOYSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)NC(N)=O ZINC001372479092 920373984 /nfs/dbraw/zinc/37/39/84/920373984.db2.gz ACJMTUAGWPBMLE-UHFFFAOYSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC(=O)NC(N)=O ZINC001372479092 920374001 /nfs/dbraw/zinc/37/40/01/920374001.db2.gz ACJMTUAGWPBMLE-UHFFFAOYSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC(=O)NC(N)=O ZINC001372479092 920374016 /nfs/dbraw/zinc/37/40/16/920374016.db2.gz ACJMTUAGWPBMLE-UHFFFAOYSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC(=O)NC(N)=O ZINC001372479092 920374029 /nfs/dbraw/zinc/37/40/29/920374029.db2.gz ACJMTUAGWPBMLE-UHFFFAOYSA-N 2 1 301.391 -1.040 20 0 DAADMP NC(=O)NC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001372901915 920430161 /nfs/dbraw/zinc/43/01/61/920430161.db2.gz ZHXIHWCHRYIXHG-UHFFFAOYSA-N 2 1 323.397 -1.142 20 0 DAADMP NC(=O)NC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001372901915 920430177 /nfs/dbraw/zinc/43/01/77/920430177.db2.gz ZHXIHWCHRYIXHG-UHFFFAOYSA-N 2 1 323.397 -1.142 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001372942579 920440163 /nfs/dbraw/zinc/44/01/63/920440163.db2.gz FXIHHHZLXAZILA-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373221769 920465987 /nfs/dbraw/zinc/46/59/87/920465987.db2.gz FNKOYADYYGOZSJ-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001373545328 920520736 /nfs/dbraw/zinc/52/07/36/920520736.db2.gz QCAQHDQHWWVCKU-CQSZACIVSA-N 2 1 315.414 -1.236 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005831 920576628 /nfs/dbraw/zinc/57/66/28/920576628.db2.gz NRXKSQFZAYPDGV-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005831 920576638 /nfs/dbraw/zinc/57/66/38/920576638.db2.gz NRXKSQFZAYPDGV-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001374070054 920578936 /nfs/dbraw/zinc/57/89/36/920578936.db2.gz CWJGSVVWGHPCCU-MNOVXSKESA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001374070050 920579738 /nfs/dbraw/zinc/57/97/38/920579738.db2.gz CWJGSVVWGHPCCU-GHMZBOCLSA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001374070062 920580130 /nfs/dbraw/zinc/58/01/30/920580130.db2.gz CWJGSVVWGHPCCU-WDEREUQCSA-N 2 1 313.402 -1.135 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374588618 920627859 /nfs/dbraw/zinc/62/78/59/920627859.db2.gz FYAVKMCNZRZOOI-NXEZZACHSA-N 2 1 315.374 -2.397 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374588725 920628094 /nfs/dbraw/zinc/62/80/94/920628094.db2.gz FYAVKMCNZRZOOI-VHSXEESVSA-N 2 1 315.374 -2.397 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374674707 920688041 /nfs/dbraw/zinc/68/80/41/920688041.db2.gz YPFRGFGSIHOZHI-GFCCVEGCSA-N 2 1 322.413 -1.040 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001374686096 920694392 /nfs/dbraw/zinc/69/43/92/920694392.db2.gz SBPUFPRMWTWNLB-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001374827078 920716596 /nfs/dbraw/zinc/71/65/96/920716596.db2.gz GRZPXJXVPBPRSZ-SNVBAGLBSA-N 2 1 301.391 -1.122 20 0 DAADMP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374842411 920717251 /nfs/dbraw/zinc/71/72/51/920717251.db2.gz LRYYDFQJLHDIMV-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375053353 920743484 /nfs/dbraw/zinc/74/34/84/920743484.db2.gz GPVBXULXUBNBEO-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001375053353 920743495 /nfs/dbraw/zinc/74/34/95/920743495.db2.gz GPVBXULXUBNBEO-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375151894 920750603 /nfs/dbraw/zinc/75/06/03/920750603.db2.gz ATMGTQSRBUPYHX-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375151894 920750616 /nfs/dbraw/zinc/75/06/16/920750616.db2.gz ATMGTQSRBUPYHX-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375151894 920750635 /nfs/dbraw/zinc/75/06/35/920750635.db2.gz ATMGTQSRBUPYHX-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](C[NH+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375151894 920750649 /nfs/dbraw/zinc/75/06/49/920750649.db2.gz ATMGTQSRBUPYHX-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040862 920835967 /nfs/dbraw/zinc/83/59/67/920835967.db2.gz VEKJOKAFBSBVAE-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040862 920835980 /nfs/dbraw/zinc/83/59/80/920835980.db2.gz VEKJOKAFBSBVAE-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040862 920835994 /nfs/dbraw/zinc/83/59/94/920835994.db2.gz VEKJOKAFBSBVAE-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040862 920836006 /nfs/dbraw/zinc/83/60/06/920836006.db2.gz VEKJOKAFBSBVAE-SWLSCSKDSA-N 2 1 312.414 -1.101 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376048122 920838716 /nfs/dbraw/zinc/83/87/16/920838716.db2.gz ITNSGDAQVIXEBZ-NFAWXSAZSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376048122 920838733 /nfs/dbraw/zinc/83/87/33/920838733.db2.gz ITNSGDAQVIXEBZ-NFAWXSAZSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376048122 920838747 /nfs/dbraw/zinc/83/87/47/920838747.db2.gz ITNSGDAQVIXEBZ-NFAWXSAZSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376048126 920840596 /nfs/dbraw/zinc/84/05/96/920840596.db2.gz ITNSGDAQVIXEBZ-UMVBOHGHSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376048126 920840605 /nfs/dbraw/zinc/84/06/05/920840605.db2.gz ITNSGDAQVIXEBZ-UMVBOHGHSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376048126 920840612 /nfs/dbraw/zinc/84/06/12/920840612.db2.gz ITNSGDAQVIXEBZ-UMVBOHGHSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376073733 920844310 /nfs/dbraw/zinc/84/43/10/920844310.db2.gz AGQDSTJSVNOPBO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376073733 920844325 /nfs/dbraw/zinc/84/43/25/920844325.db2.gz AGQDSTJSVNOPBO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376096223 920853008 /nfs/dbraw/zinc/85/30/08/920853008.db2.gz SHPWUWZPKRSZDS-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376096223 920852988 /nfs/dbraw/zinc/85/29/88/920852988.db2.gz SHPWUWZPKRSZDS-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376096223 920853028 /nfs/dbraw/zinc/85/30/28/920853028.db2.gz SHPWUWZPKRSZDS-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376096223 920853062 /nfs/dbraw/zinc/85/30/62/920853062.db2.gz SHPWUWZPKRSZDS-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155024 920874358 /nfs/dbraw/zinc/87/43/58/920874358.db2.gz SGVOLUIWQSGHHA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155024 920874374 /nfs/dbraw/zinc/87/43/74/920874374.db2.gz SGVOLUIWQSGHHA-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376546202 920977041 /nfs/dbraw/zinc/97/70/41/920977041.db2.gz DKXPYQUIJCUJKW-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376625179 920995245 /nfs/dbraw/zinc/99/52/45/920995245.db2.gz IGOFEOAVHRDTFN-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376625179 920995261 /nfs/dbraw/zinc/99/52/61/920995261.db2.gz IGOFEOAVHRDTFN-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376625176 920996412 /nfs/dbraw/zinc/99/64/12/920996412.db2.gz IGOFEOAVHRDTFN-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376625176 920996420 /nfs/dbraw/zinc/99/64/20/920996420.db2.gz IGOFEOAVHRDTFN-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001376666491 921013218 /nfs/dbraw/zinc/01/32/18/921013218.db2.gz YPTUPSDCCKAZPX-STQMWFEESA-N 2 1 323.397 -1.039 20 0 DAADMP CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001376666491 921013238 /nfs/dbraw/zinc/01/32/38/921013238.db2.gz YPTUPSDCCKAZPX-STQMWFEESA-N 2 1 323.397 -1.039 20 0 DAADMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192212 921926701 /nfs/dbraw/zinc/92/67/01/921926701.db2.gz TURCTFYLOGSMPP-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192212 921926719 /nfs/dbraw/zinc/92/67/19/921926719.db2.gz TURCTFYLOGSMPP-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192221 921926990 /nfs/dbraw/zinc/92/69/90/921926990.db2.gz TURCTFYLOGSMPP-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192221 921927008 /nfs/dbraw/zinc/92/70/08/921927008.db2.gz TURCTFYLOGSMPP-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378543537 921973715 /nfs/dbraw/zinc/97/37/15/921973715.db2.gz XHSYHTNWQMBNPO-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378543537 921973731 /nfs/dbraw/zinc/97/37/31/921973731.db2.gz XHSYHTNWQMBNPO-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378748364 922002780 /nfs/dbraw/zinc/00/27/80/922002780.db2.gz CXSVAGVYCIUSKM-QWRGUYRKSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379132239 922039638 /nfs/dbraw/zinc/03/96/38/922039638.db2.gz NVRDXKXZNMAOEZ-NSHDSACASA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379132239 922039656 /nfs/dbraw/zinc/03/96/56/922039656.db2.gz NVRDXKXZNMAOEZ-NSHDSACASA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379132239 922039664 /nfs/dbraw/zinc/03/96/64/922039664.db2.gz NVRDXKXZNMAOEZ-NSHDSACASA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379132239 922039683 /nfs/dbraw/zinc/03/96/83/922039683.db2.gz NVRDXKXZNMAOEZ-NSHDSACASA-N 2 1 313.402 -1.216 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379204922 922066328 /nfs/dbraw/zinc/06/63/28/922066328.db2.gz CTAUMSJGJFLSIU-GRYCIOLGSA-N 2 1 300.403 -1.471 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001379241040 922092129 /nfs/dbraw/zinc/09/21/29/922092129.db2.gz JPBWEGQIDMNYFT-MNOVXSKESA-N 2 1 302.419 -1.095 20 0 DAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001379241037 922094073 /nfs/dbraw/zinc/09/40/73/922094073.db2.gz JPBWEGQIDMNYFT-GHMZBOCLSA-N 2 1 302.419 -1.095 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379253526 922099495 /nfs/dbraw/zinc/09/94/95/922099495.db2.gz NYGBILYRRTUQTO-QWHCGFSZSA-N 2 1 323.397 -1.073 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379253529 922099971 /nfs/dbraw/zinc/09/99/71/922099971.db2.gz NYGBILYRRTUQTO-STQMWFEESA-N 2 1 323.397 -1.073 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379253519 922101164 /nfs/dbraw/zinc/10/11/64/922101164.db2.gz NYGBILYRRTUQTO-CHWSQXEVSA-N 2 1 323.397 -1.073 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001379257688 922101405 /nfs/dbraw/zinc/10/14/05/922101405.db2.gz KNBXBNZWSCOHCQ-GFCCVEGCSA-N 2 1 308.386 -1.522 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379258933 922103801 /nfs/dbraw/zinc/10/38/01/922103801.db2.gz NHBUDPULMZLTDF-NEPJUHHUSA-N 2 1 300.403 -1.469 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)C ZINC001379290147 922119569 /nfs/dbraw/zinc/11/95/69/922119569.db2.gz QUMHXEIJSBPXSG-GFCCVEGCSA-N 2 1 311.386 -1.217 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001379294785 922120729 /nfs/dbraw/zinc/12/07/29/922120729.db2.gz QTTHYDMNSRXEIJ-NWDGAFQWSA-N 2 1 316.402 -2.090 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001379294785 922120746 /nfs/dbraw/zinc/12/07/46/922120746.db2.gz QTTHYDMNSRXEIJ-NWDGAFQWSA-N 2 1 316.402 -2.090 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410962 922162374 /nfs/dbraw/zinc/16/23/74/922162374.db2.gz MDOHYFKYXAQDNJ-WCQYABFASA-N 2 1 312.414 -1.232 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001379427880 922167749 /nfs/dbraw/zinc/16/77/49/922167749.db2.gz UQIDVGLGGUSJCB-AAEUAGOBSA-N 2 1 312.418 -1.032 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379468027 922188159 /nfs/dbraw/zinc/18/81/59/922188159.db2.gz FTVROSYALIYJAY-SDDRHHMPSA-N 2 1 300.403 -1.471 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001379468297 922189386 /nfs/dbraw/zinc/18/93/86/922189386.db2.gz VPHXUIMGZKQWJN-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C)C1 ZINC001379468297 922189398 /nfs/dbraw/zinc/18/93/98/922189398.db2.gz VPHXUIMGZKQWJN-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379478360 922195443 /nfs/dbraw/zinc/19/54/43/922195443.db2.gz YVZXHUGSAVEZOI-FQUUOJAGSA-N 2 1 317.430 -1.209 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379478361 922196854 /nfs/dbraw/zinc/19/68/54/922196854.db2.gz YVZXHUGSAVEZOI-IGQOVBAYSA-N 2 1 317.430 -1.209 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001379495928 922200124 /nfs/dbraw/zinc/20/01/24/922200124.db2.gz IFILFSMSDKBBNJ-GFCCVEGCSA-N 2 1 300.403 -1.469 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379503884 922207758 /nfs/dbraw/zinc/20/77/58/922207758.db2.gz JHOIVVJGNMQACZ-CHWSQXEVSA-N 2 1 310.402 -1.313 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379526708 922218054 /nfs/dbraw/zinc/21/80/54/922218054.db2.gz KNWKIPWQZZJSCW-NEPJUHHUSA-N 2 1 300.403 -1.471 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001379532885 922220116 /nfs/dbraw/zinc/22/01/16/922220116.db2.gz SEVOENHFERCNOI-WCBMZHEXSA-N 2 1 310.358 -1.131 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCNC2=O)C1 ZINC001379531345 922220440 /nfs/dbraw/zinc/22/04/40/922220440.db2.gz VQADKLCGBXZBHO-VXGBXAGGSA-N 2 1 313.402 -1.970 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379763485 922250672 /nfs/dbraw/zinc/25/06/72/922250672.db2.gz WFFDHNNTXZXJLY-UWVGGRQHSA-N 2 1 315.374 -2.316 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379815356 922269439 /nfs/dbraw/zinc/26/94/39/922269439.db2.gz OBGMKARTSFEEGL-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001379818131 922272550 /nfs/dbraw/zinc/27/25/50/922272550.db2.gz RCXGMCDZYVBEAI-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379838040 922275430 /nfs/dbraw/zinc/27/54/30/922275430.db2.gz VYWLPRLERCKSBU-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001379862664 922284955 /nfs/dbraw/zinc/28/49/55/922284955.db2.gz PTRLVYFCWYNMTR-CYBMUJFWSA-N 2 1 321.385 -1.071 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972986 922308082 /nfs/dbraw/zinc/30/80/82/922308082.db2.gz ZGPSAUFJMQHIFP-RYUDHWBXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972986 922308095 /nfs/dbraw/zinc/30/80/95/922308095.db2.gz ZGPSAUFJMQHIFP-RYUDHWBXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985329 922312790 /nfs/dbraw/zinc/31/27/90/922312790.db2.gz WUFWHELDXYTUHY-NWDGAFQWSA-N 2 1 312.414 -1.293 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379985329 922312804 /nfs/dbraw/zinc/31/28/04/922312804.db2.gz WUFWHELDXYTUHY-NWDGAFQWSA-N 2 1 312.414 -1.293 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001380169695 922336175 /nfs/dbraw/zinc/33/61/75/922336175.db2.gz MJSSYEVYIPQJAS-SNVBAGLBSA-N 2 1 311.386 -1.368 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001380538257 922372556 /nfs/dbraw/zinc/37/25/56/922372556.db2.gz SAGMKDYZKXLGPQ-AWEZNQCLSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001380538257 922372569 /nfs/dbraw/zinc/37/25/69/922372569.db2.gz SAGMKDYZKXLGPQ-AWEZNQCLSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549053 922384392 /nfs/dbraw/zinc/38/43/92/922384392.db2.gz LQUWXTIZJBJZAR-ABAIWWIYSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549053 922384406 /nfs/dbraw/zinc/38/44/06/922384406.db2.gz LQUWXTIZJBJZAR-ABAIWWIYSA-N 2 1 312.414 -1.245 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380572392 922396370 /nfs/dbraw/zinc/39/63/70/922396370.db2.gz MCRICZFEXNESDE-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380572393 922397292 /nfs/dbraw/zinc/39/72/92/922397292.db2.gz MCRICZFEXNESDE-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380575369 922398821 /nfs/dbraw/zinc/39/88/21/922398821.db2.gz SDARFRFBUPKWDX-SWLSCSKDSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380575369 922398840 /nfs/dbraw/zinc/39/88/40/922398840.db2.gz SDARFRFBUPKWDX-SWLSCSKDSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380575369 922398858 /nfs/dbraw/zinc/39/88/58/922398858.db2.gz SDARFRFBUPKWDX-SWLSCSKDSA-N 2 1 322.413 -1.180 20 0 DAADMP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380575369 922398863 /nfs/dbraw/zinc/39/88/63/922398863.db2.gz SDARFRFBUPKWDX-SWLSCSKDSA-N 2 1 322.413 -1.180 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001380767869 922455668 /nfs/dbraw/zinc/45/56/68/922455668.db2.gz RCRXRHRVSNMZGF-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001380774434 922458252 /nfs/dbraw/zinc/45/82/52/922458252.db2.gz PKQOCYARZOYMTH-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001380773931 922458499 /nfs/dbraw/zinc/45/84/99/922458499.db2.gz NZPUGFLSMHYUKS-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@@H+](CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)C1CCC1 ZINC001381039386 922492394 /nfs/dbraw/zinc/49/23/94/922492394.db2.gz AWEVCKGYGLDWMP-HNNXBMFYSA-N 2 1 312.414 -1.101 20 0 DAADMP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381055885 922493346 /nfs/dbraw/zinc/49/33/46/922493346.db2.gz PQAFOUSSDKCWEZ-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381039506 922494159 /nfs/dbraw/zinc/49/41/59/922494159.db2.gz BDXIGOOJDLGXDB-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001381158058 922507376 /nfs/dbraw/zinc/50/73/76/922507376.db2.gz RPLZVIGDJUFNEW-UHFFFAOYSA-N 2 1 300.403 -1.243 20 0 DAADMP C[C@H](C(N)=O)N1CCC(CO)(NC(=O)[C@H]2CCCN2C)CC1 ZINC001381247552 922514255 /nfs/dbraw/zinc/51/42/55/922514255.db2.gz UICQUZFCNSKIMX-VXGBXAGGSA-N 2 1 312.414 -1.103 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001381932937 922569404 /nfs/dbraw/zinc/56/94/04/922569404.db2.gz CEHVLRHUJCXFAA-ZYHUDNBSSA-N 2 1 309.370 -1.118 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066732 922579477 /nfs/dbraw/zinc/57/94/77/922579477.db2.gz XRXCMDRKXJOOIK-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001382066732 922579491 /nfs/dbraw/zinc/57/94/91/922579491.db2.gz XRXCMDRKXJOOIK-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001382212200 922622923 /nfs/dbraw/zinc/62/29/23/922622923.db2.gz NQZOGHOQRCTGKN-DGCLKSJQSA-N 2 1 312.414 -1.055 20 0 DAADMP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001382212200 922622930 /nfs/dbraw/zinc/62/29/30/922622930.db2.gz NQZOGHOQRCTGKN-DGCLKSJQSA-N 2 1 312.414 -1.055 20 0 DAADMP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001382221752 922628727 /nfs/dbraw/zinc/62/87/27/922628727.db2.gz HYZBMPACVVLAII-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001382263598 922650777 /nfs/dbraw/zinc/65/07/77/922650777.db2.gz ZRNZATISZUWWNW-RYUDHWBXSA-N 2 1 316.402 -2.090 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001382263605 922651431 /nfs/dbraw/zinc/65/14/31/922651431.db2.gz ZRNZATISZUWWNW-VXGBXAGGSA-N 2 1 316.402 -2.090 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382266705 922653174 /nfs/dbraw/zinc/65/31/74/922653174.db2.gz MGOODYQIENMHPF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268492 922655410 /nfs/dbraw/zinc/65/54/10/922655410.db2.gz XGWJXYSVKQWMCI-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268491 922655899 /nfs/dbraw/zinc/65/58/99/922655899.db2.gz XGWJXYSVKQWMCI-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001382273607 922658289 /nfs/dbraw/zinc/65/82/89/922658289.db2.gz LRAXJIDVQDJJJA-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001382276845 922661134 /nfs/dbraw/zinc/66/11/34/922661134.db2.gz YYUFGAPHEJOMLR-UONOGXRCSA-N 2 1 322.409 -1.096 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001382276794 922663277 /nfs/dbraw/zinc/66/32/77/922663277.db2.gz YAFWXQQFTCQHKP-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382381309 922706652 /nfs/dbraw/zinc/70/66/52/922706652.db2.gz IFDNQQPYFIYRCC-NEPJUHHUSA-N 2 1 316.402 -2.186 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382381309 922706660 /nfs/dbraw/zinc/70/66/60/922706660.db2.gz IFDNQQPYFIYRCC-NEPJUHHUSA-N 2 1 316.402 -2.186 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382385010 922711693 /nfs/dbraw/zinc/71/16/93/922711693.db2.gz GTISNVZWMRWLRQ-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001382463156 922769596 /nfs/dbraw/zinc/76/95/96/922769596.db2.gz PCOJSHWHHBXGLM-YPMHNXCESA-N 2 1 302.419 -1.191 20 0 DAADMP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001382463156 922769608 /nfs/dbraw/zinc/76/96/08/922769608.db2.gz PCOJSHWHHBXGLM-YPMHNXCESA-N 2 1 302.419 -1.191 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382476643 922777051 /nfs/dbraw/zinc/77/70/51/922777051.db2.gz BYLBKSVGRLFIML-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382476643 922777063 /nfs/dbraw/zinc/77/70/63/922777063.db2.gz BYLBKSVGRLFIML-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382476643 922777075 /nfs/dbraw/zinc/77/70/75/922777075.db2.gz BYLBKSVGRLFIML-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382476643 922777090 /nfs/dbraw/zinc/77/70/90/922777090.db2.gz BYLBKSVGRLFIML-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001382554855 922804951 /nfs/dbraw/zinc/80/49/51/922804951.db2.gz DVAMISADLIUXGF-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382554855 922804962 /nfs/dbraw/zinc/80/49/62/922804962.db2.gz DVAMISADLIUXGF-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382554855 922804976 /nfs/dbraw/zinc/80/49/76/922804976.db2.gz DVAMISADLIUXGF-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001383923150 922975954 /nfs/dbraw/zinc/97/59/54/922975954.db2.gz CYXSRMOEKCMFHF-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383923150 922975964 /nfs/dbraw/zinc/97/59/64/922975964.db2.gz CYXSRMOEKCMFHF-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383923150 922975975 /nfs/dbraw/zinc/97/59/75/922975975.db2.gz CYXSRMOEKCMFHF-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001383926283 922980478 /nfs/dbraw/zinc/98/04/78/922980478.db2.gz KVTSIMYJUPCUCI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383926283 922980484 /nfs/dbraw/zinc/98/04/84/922980484.db2.gz KVTSIMYJUPCUCI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383926283 922980491 /nfs/dbraw/zinc/98/04/91/922980491.db2.gz KVTSIMYJUPCUCI-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001389095020 923550137 /nfs/dbraw/zinc/55/01/37/923550137.db2.gz ILJQNSUBLGZGPZ-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389095020 923550158 /nfs/dbraw/zinc/55/01/58/923550158.db2.gz ILJQNSUBLGZGPZ-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389095020 923550165 /nfs/dbraw/zinc/55/01/65/923550165.db2.gz ILJQNSUBLGZGPZ-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685677 923665468 /nfs/dbraw/zinc/66/54/68/923665468.db2.gz IYGGUXZPYLOZOH-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685677 923665480 /nfs/dbraw/zinc/66/54/80/923665480.db2.gz IYGGUXZPYLOZOH-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389681687 923666069 /nfs/dbraw/zinc/66/60/69/923666069.db2.gz BSLUCWOPXITQTL-NSHDSACASA-N 2 1 322.369 -1.129 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001390016399 923709939 /nfs/dbraw/zinc/70/99/39/923709939.db2.gz SMFQVLQMXYKJMH-YTWAJWBKSA-N 2 1 311.386 -1.242 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390329601 923728258 /nfs/dbraw/zinc/72/82/58/923728258.db2.gz RTPYSCVVOWZLHU-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390329601 923728269 /nfs/dbraw/zinc/72/82/69/923728269.db2.gz RTPYSCVVOWZLHU-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001390807974 923782664 /nfs/dbraw/zinc/78/26/64/923782664.db2.gz DBMRIYAOQAFBSY-UHFFFAOYSA-N 2 1 301.391 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001390807974 923782674 /nfs/dbraw/zinc/78/26/74/923782674.db2.gz DBMRIYAOQAFBSY-UHFFFAOYSA-N 2 1 301.391 -1.168 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001390861224 923789187 /nfs/dbraw/zinc/78/91/87/923789187.db2.gz FWZJXJIPSOKAMH-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001390861224 923789198 /nfs/dbraw/zinc/78/91/98/923789198.db2.gz FWZJXJIPSOKAMH-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390861224 923789211 /nfs/dbraw/zinc/78/92/11/923789211.db2.gz FWZJXJIPSOKAMH-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390861224 923789225 /nfs/dbraw/zinc/78/92/25/923789225.db2.gz FWZJXJIPSOKAMH-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390862780 923791395 /nfs/dbraw/zinc/79/13/95/923791395.db2.gz NUNUGAYOJCDURO-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390862780 923791408 /nfs/dbraw/zinc/79/14/08/923791408.db2.gz NUNUGAYOJCDURO-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390862780 923791420 /nfs/dbraw/zinc/79/14/20/923791420.db2.gz NUNUGAYOJCDURO-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390862780 923791428 /nfs/dbraw/zinc/79/14/28/923791428.db2.gz NUNUGAYOJCDURO-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](O)COC ZINC001390906195 923792587 /nfs/dbraw/zinc/79/25/87/923792587.db2.gz NOTCVWKITFLLMB-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@H](O)COC ZINC001390906195 923792597 /nfs/dbraw/zinc/79/25/97/923792597.db2.gz NOTCVWKITFLLMB-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](O)COC ZINC001390906195 923792609 /nfs/dbraw/zinc/79/26/09/923792609.db2.gz NOTCVWKITFLLMB-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](O)COC ZINC001390906195 923792620 /nfs/dbraw/zinc/79/26/20/923792620.db2.gz NOTCVWKITFLLMB-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001391518061 923852217 /nfs/dbraw/zinc/85/22/17/923852217.db2.gz JDBIBDYCUHYQTC-ZIAGYGMSSA-N 2 1 315.414 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001391518061 923852226 /nfs/dbraw/zinc/85/22/26/923852226.db2.gz JDBIBDYCUHYQTC-ZIAGYGMSSA-N 2 1 315.414 -1.238 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392096265 923931134 /nfs/dbraw/zinc/93/11/34/923931134.db2.gz DBJDEQOBZVNRRW-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392096265 923931142 /nfs/dbraw/zinc/93/11/42/923931142.db2.gz DBJDEQOBZVNRRW-CHWSQXEVSA-N 2 1 323.397 -1.263 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001392096582 923931337 /nfs/dbraw/zinc/93/13/37/923931337.db2.gz FJWVETPYORDEDV-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392100512 923935293 /nfs/dbraw/zinc/93/52/93/923935293.db2.gz NIBSPVHQXQJNKU-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392367310 923979113 /nfs/dbraw/zinc/97/91/13/923979113.db2.gz RSTHCUFUNXFMTN-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001392371330 923986362 /nfs/dbraw/zinc/98/63/62/923986362.db2.gz DXRLXZWVBCEEOI-SNVBAGLBSA-N 2 1 315.374 -2.268 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392385009 923995913 /nfs/dbraw/zinc/99/59/13/923995913.db2.gz DEVARHLWDCLVKF-CYBMUJFWSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392385013 923996246 /nfs/dbraw/zinc/99/62/46/923996246.db2.gz DEVARHLWDCLVKF-ZDUSSCGKSA-N 2 1 323.397 -1.121 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389780 924001687 /nfs/dbraw/zinc/00/16/87/924001687.db2.gz OZIIKRYTVAUBJB-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401558 924012083 /nfs/dbraw/zinc/01/20/83/924012083.db2.gz MDUMNSAOZXBQSC-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001392401558 924012090 /nfs/dbraw/zinc/01/20/90/924012090.db2.gz MDUMNSAOZXBQSC-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392403331 924013635 /nfs/dbraw/zinc/01/36/35/924013635.db2.gz UXUWSAWCIXWQHD-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392417049 924022816 /nfs/dbraw/zinc/02/28/16/924022816.db2.gz BXOXBXVFJHNLKD-GHMZBOCLSA-N 2 1 311.390 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392417049 924022829 /nfs/dbraw/zinc/02/28/29/924022829.db2.gz BXOXBXVFJHNLKD-GHMZBOCLSA-N 2 1 311.390 -1.881 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001392420489 924025076 /nfs/dbraw/zinc/02/50/76/924025076.db2.gz HIMAYLYJOKGLHO-UWVGGRQHSA-N 2 1 315.374 -2.410 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392429978 924030378 /nfs/dbraw/zinc/03/03/78/924030378.db2.gz SQOFDDYVAFBNAI-NXEZZACHSA-N 2 1 315.374 -2.540 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001392600710 924055849 /nfs/dbraw/zinc/05/58/49/924055849.db2.gz GRZPXJXVPBPRSZ-JTQLQIEISA-N 2 1 301.391 -1.122 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392715057 924068535 /nfs/dbraw/zinc/06/85/35/924068535.db2.gz CKGOZSMMSKBOBH-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001392715057 924068544 /nfs/dbraw/zinc/06/85/44/924068544.db2.gz CKGOZSMMSKBOBH-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001392926162 924099719 /nfs/dbraw/zinc/09/97/19/924099719.db2.gz SDEMAMJRGVRZAA-SNVBAGLBSA-N 2 1 311.386 -1.225 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001393212995 924123157 /nfs/dbraw/zinc/12/31/57/924123157.db2.gz PCLJHIKOHNIHEQ-GFCCVEGCSA-N 2 1 301.387 -1.436 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001393212995 924123163 /nfs/dbraw/zinc/12/31/63/924123163.db2.gz PCLJHIKOHNIHEQ-GFCCVEGCSA-N 2 1 301.387 -1.436 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393272497 924144935 /nfs/dbraw/zinc/14/49/35/924144935.db2.gz CZQIMJFFFOCLPO-BBRMVZONSA-N 2 1 324.425 -1.086 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393276893 924147188 /nfs/dbraw/zinc/14/71/88/924147188.db2.gz PEJRDOKETVVILM-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393276893 924147196 /nfs/dbraw/zinc/14/71/96/924147196.db2.gz PEJRDOKETVVILM-WFASDCNBSA-N 2 1 312.414 -1.230 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393275198 924147471 /nfs/dbraw/zinc/14/74/71/924147471.db2.gz MDMFQYHTLCSPEO-TZMCWYRMSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283304 924153662 /nfs/dbraw/zinc/15/36/62/924153662.db2.gz YJUAPLLKYOZBEX-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001393288582 924157100 /nfs/dbraw/zinc/15/71/00/924157100.db2.gz ISOYMMTZKQFOOF-GXTWGEPZSA-N 2 1 300.403 -1.389 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001393288582 924157106 /nfs/dbraw/zinc/15/71/06/924157106.db2.gz ISOYMMTZKQFOOF-GXTWGEPZSA-N 2 1 300.403 -1.389 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001393458049 924209785 /nfs/dbraw/zinc/20/97/85/924209785.db2.gz FFZWYDMHJPNJET-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393478117 924215770 /nfs/dbraw/zinc/21/57/70/924215770.db2.gz HPWQUEQCFYEZBT-VXGBXAGGSA-N 2 1 300.403 -1.388 20 0 DAADMP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393643461 924237969 /nfs/dbraw/zinc/23/79/69/924237969.db2.gz HTSROGNGAJGVHM-LLVKDONJSA-N 2 1 313.402 -1.087 20 0 DAADMP CN(CCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393643461 924237979 /nfs/dbraw/zinc/23/79/79/924237979.db2.gz HTSROGNGAJGVHM-LLVKDONJSA-N 2 1 313.402 -1.087 20 0 DAADMP CN(CCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393643461 924237991 /nfs/dbraw/zinc/23/79/91/924237991.db2.gz HTSROGNGAJGVHM-LLVKDONJSA-N 2 1 313.402 -1.087 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001393701110 924246233 /nfs/dbraw/zinc/24/62/33/924246233.db2.gz HDDLOOQXAPXMBB-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001393850993 924264664 /nfs/dbraw/zinc/26/46/64/924264664.db2.gz ABJHMNFEZJBTER-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001393850993 924264672 /nfs/dbraw/zinc/26/46/72/924264672.db2.gz ABJHMNFEZJBTER-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121191 924279558 /nfs/dbraw/zinc/27/95/58/924279558.db2.gz FURKHUHMESRKLT-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121191 924279567 /nfs/dbraw/zinc/27/95/67/924279567.db2.gz FURKHUHMESRKLT-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394121191 924279572 /nfs/dbraw/zinc/27/95/72/924279572.db2.gz FURKHUHMESRKLT-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394121191 924279582 /nfs/dbraw/zinc/27/95/82/924279582.db2.gz FURKHUHMESRKLT-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001394335753 924299019 /nfs/dbraw/zinc/29/90/19/924299019.db2.gz GAURXPGKJFVKHR-CNDDSTCGSA-N 2 1 323.397 -1.429 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001394372932 924299853 /nfs/dbraw/zinc/29/98/53/924299853.db2.gz YZIXTYJLQXJJQI-ZDEQEGDKSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001394372932 924299859 /nfs/dbraw/zinc/29/98/59/924299859.db2.gz YZIXTYJLQXJJQI-ZDEQEGDKSA-N 2 1 312.414 -1.064 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571627 924312187 /nfs/dbraw/zinc/31/21/87/924312187.db2.gz LIACVJHVXSKUIV-VXGBXAGGSA-N 2 1 312.374 -2.325 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001394571627 924312195 /nfs/dbraw/zinc/31/21/95/924312195.db2.gz LIACVJHVXSKUIV-VXGBXAGGSA-N 2 1 312.374 -2.325 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001394645324 924350585 /nfs/dbraw/zinc/35/05/85/924350585.db2.gz VACFOOWMDOMIPL-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001394645323 924350834 /nfs/dbraw/zinc/35/08/34/924350834.db2.gz VACFOOWMDOMIPL-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394652303 924355162 /nfs/dbraw/zinc/35/51/62/924355162.db2.gz MEGLPQSEKQCOTO-LLVKDONJSA-N 2 1 308.386 -1.522 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394652304 924355754 /nfs/dbraw/zinc/35/57/54/924355754.db2.gz MEGLPQSEKQCOTO-NSHDSACASA-N 2 1 308.386 -1.522 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394732192 924367660 /nfs/dbraw/zinc/36/76/60/924367660.db2.gz RDAIBQMBMLKDDK-QWHCGFSZSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394732192 924367666 /nfs/dbraw/zinc/36/76/66/924367666.db2.gz RDAIBQMBMLKDDK-QWHCGFSZSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001394733509 924367684 /nfs/dbraw/zinc/36/76/84/924367684.db2.gz VISGSIVGKZIQMD-VXGBXAGGSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394733507 924367991 /nfs/dbraw/zinc/36/79/91/924367991.db2.gz VISGSIVGKZIQMD-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001394775461 924384883 /nfs/dbraw/zinc/38/48/83/924384883.db2.gz HMWDXISUICZJAS-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001394775461 924384887 /nfs/dbraw/zinc/38/48/87/924384887.db2.gz HMWDXISUICZJAS-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001394775461 924384891 /nfs/dbraw/zinc/38/48/91/924384891.db2.gz HMWDXISUICZJAS-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001394775461 924384896 /nfs/dbraw/zinc/38/48/96/924384896.db2.gz HMWDXISUICZJAS-CYBMUJFWSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001394791408 924391563 /nfs/dbraw/zinc/39/15/63/924391563.db2.gz OPBFNLRBOLBRTF-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCO)C1 ZINC001394791408 924391573 /nfs/dbraw/zinc/39/15/73/924391573.db2.gz OPBFNLRBOLBRTF-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)C1 ZINC001394791408 924391584 /nfs/dbraw/zinc/39/15/84/924391584.db2.gz OPBFNLRBOLBRTF-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001394791408 924391595 /nfs/dbraw/zinc/39/15/95/924391595.db2.gz OPBFNLRBOLBRTF-OLZOCXBDSA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395737752 924456096 /nfs/dbraw/zinc/45/60/96/924456096.db2.gz QBJYYRWYLAIWQM-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395797172 924480425 /nfs/dbraw/zinc/48/04/25/924480425.db2.gz APTDIYWVJAWDLG-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396395349 924519481 /nfs/dbraw/zinc/51/94/81/924519481.db2.gz XRVAUZNCXUWFSD-CHWSQXEVSA-N 2 1 314.430 -1.034 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001396916933 924548098 /nfs/dbraw/zinc/54/80/98/924548098.db2.gz YPFLCORHAFVOLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001396916933 924548104 /nfs/dbraw/zinc/54/81/04/924548104.db2.gz YPFLCORHAFVOLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001397109773 924556974 /nfs/dbraw/zinc/55/69/74/924556974.db2.gz AKNAGWBJJBLFEK-AVGNSLFASA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001397109773 924556982 /nfs/dbraw/zinc/55/69/82/924556982.db2.gz AKNAGWBJJBLFEK-AVGNSLFASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1)C(N)=O ZINC001397733402 924596098 /nfs/dbraw/zinc/59/60/98/924596098.db2.gz QLAPAAZUIPMYKZ-VIFPVBQESA-N 2 1 324.385 -1.287 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC[NH+](C)C ZINC001397891758 924608356 /nfs/dbraw/zinc/60/83/56/924608356.db2.gz VJQXJLHKXADRIU-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC[NH+](C)C ZINC001397891758 924608362 /nfs/dbraw/zinc/60/83/62/924608362.db2.gz VJQXJLHKXADRIU-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001399219752 924693283 /nfs/dbraw/zinc/69/32/83/924693283.db2.gz MLGOPIMAPSGKAK-JTQLQIEISA-N 2 1 308.342 -1.423 20 0 DAADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304263 924697286 /nfs/dbraw/zinc/69/72/86/924697286.db2.gz OSCVRTOSDHMEIF-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304263 924697294 /nfs/dbraw/zinc/69/72/94/924697294.db2.gz OSCVRTOSDHMEIF-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001399573948 924710636 /nfs/dbraw/zinc/71/06/36/924710636.db2.gz UNIMJSSJJPFUCB-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001399573948 924710648 /nfs/dbraw/zinc/71/06/48/924710648.db2.gz UNIMJSSJJPFUCB-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001399862296 924748502 /nfs/dbraw/zinc/74/85/02/924748502.db2.gz OGNWSAIWRXTKRL-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001399862296 924748508 /nfs/dbraw/zinc/74/85/08/924748508.db2.gz OGNWSAIWRXTKRL-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001400689944 924824590 /nfs/dbraw/zinc/82/45/90/924824590.db2.gz TZPJRGXGNVELLE-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001400689944 924824600 /nfs/dbraw/zinc/82/46/00/924824600.db2.gz TZPJRGXGNVELLE-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001400689944 924824611 /nfs/dbraw/zinc/82/46/11/924824611.db2.gz TZPJRGXGNVELLE-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)COC)C2)C1 ZINC001400689944 924824621 /nfs/dbraw/zinc/82/46/21/924824621.db2.gz TZPJRGXGNVELLE-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254812 924852989 /nfs/dbraw/zinc/85/29/89/924852989.db2.gz OUTVHBBVERZGPE-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254812 924852997 /nfs/dbraw/zinc/85/29/97/924852997.db2.gz OUTVHBBVERZGPE-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401262479 924854860 /nfs/dbraw/zinc/85/48/60/924854860.db2.gz SJBJMMVDNUOCSM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001401497972 924866994 /nfs/dbraw/zinc/86/69/94/924866994.db2.gz NBYUHASXQYRFRL-QWHCGFSZSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001401497972 924867001 /nfs/dbraw/zinc/86/70/01/924867001.db2.gz NBYUHASXQYRFRL-QWHCGFSZSA-N 2 1 310.402 -1.041 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001401519002 924874815 /nfs/dbraw/zinc/87/48/15/924874815.db2.gz YNKWTJJGRZFFDN-RWMBFGLXSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401536773 924878209 /nfs/dbraw/zinc/87/82/09/924878209.db2.gz IZOVHRAKZJYOGG-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001401560251 924890221 /nfs/dbraw/zinc/89/02/21/924890221.db2.gz NKTMNKIWMKSGTM-NEPJUHHUSA-N 2 1 300.403 -1.199 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001401561386 924890466 /nfs/dbraw/zinc/89/04/66/924890466.db2.gz GKPABDVWWIVCOB-ZWNOBZJWSA-N 2 1 323.397 -1.075 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401562054 924892483 /nfs/dbraw/zinc/89/24/83/924892483.db2.gz TZWZQGIFXUHRIG-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401563329 924892584 /nfs/dbraw/zinc/89/25/84/924892584.db2.gz JFMPQNWVFRZSAY-GFCCVEGCSA-N 2 1 309.370 -1.509 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401563456 924892610 /nfs/dbraw/zinc/89/26/10/924892610.db2.gz HXAJTZWLSSXING-SRVKXCTJSA-N 2 1 300.403 -1.471 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001401563105 924893163 /nfs/dbraw/zinc/89/31/63/924893163.db2.gz VMHHJXMEZIUNOL-YGRLFVJLSA-N 2 1 318.393 -1.249 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401591938 924903637 /nfs/dbraw/zinc/90/36/37/924903637.db2.gz VXMVXSLCHYUBHU-NWDGAFQWSA-N 2 1 300.403 -1.328 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001401588962 924904012 /nfs/dbraw/zinc/90/40/12/924904012.db2.gz TVMYMGMYINFXSU-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001401588962 924904019 /nfs/dbraw/zinc/90/40/19/924904019.db2.gz TVMYMGMYINFXSU-YPMHNXCESA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001401637961 924910063 /nfs/dbraw/zinc/91/00/63/924910063.db2.gz SEVOENHFERCNOI-SCZZXKLOSA-N 2 1 310.358 -1.131 20 0 DAADMP C[NH+](C)CCC(=O)NCCN1CC[NH+](CCn2cncn2)CC1 ZINC001402122636 924947567 /nfs/dbraw/zinc/94/75/67/924947567.db2.gz SNDVYSACROMCTB-UHFFFAOYSA-N 2 1 323.445 -1.036 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402273255 924960808 /nfs/dbraw/zinc/96/08/08/924960808.db2.gz VDYNSZMOWBWMGU-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402273255 924960815 /nfs/dbraw/zinc/96/08/15/924960815.db2.gz VDYNSZMOWBWMGU-MLGOLLRUSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402273259 924962425 /nfs/dbraw/zinc/96/24/25/924962425.db2.gz VDYNSZMOWBWMGU-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402273259 924962429 /nfs/dbraw/zinc/96/24/29/924962429.db2.gz VDYNSZMOWBWMGU-WBMJQRKESA-N 2 1 324.425 -1.230 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001402294837 924969011 /nfs/dbraw/zinc/96/90/11/924969011.db2.gz UXAASPWMYATCHF-AWEZNQCLSA-N 2 1 301.387 -1.746 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402294837 924969015 /nfs/dbraw/zinc/96/90/15/924969015.db2.gz UXAASPWMYATCHF-AWEZNQCLSA-N 2 1 301.387 -1.746 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313476 924973341 /nfs/dbraw/zinc/97/33/41/924973341.db2.gz JQIREVCTKGISLH-NHYWBVRUSA-N 2 1 310.398 -1.491 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402313476 924973348 /nfs/dbraw/zinc/97/33/48/924973348.db2.gz JQIREVCTKGISLH-NHYWBVRUSA-N 2 1 310.398 -1.491 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)CC[N@H+]1C ZINC001402467321 925002073 /nfs/dbraw/zinc/00/20/73/925002073.db2.gz NXZJOKGHSAWLSM-UPJWGTAASA-N 2 1 312.414 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001402595890 925015452 /nfs/dbraw/zinc/01/54/52/925015452.db2.gz KONJVIRXFFXPNO-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001402595894 925015626 /nfs/dbraw/zinc/01/56/26/925015626.db2.gz KONJVIRXFFXPNO-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402670067 925021144 /nfs/dbraw/zinc/02/11/44/925021144.db2.gz WKKQRCQAXGYCIK-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402670067 925021155 /nfs/dbraw/zinc/02/11/55/925021155.db2.gz WKKQRCQAXGYCIK-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402758585 925026304 /nfs/dbraw/zinc/02/63/04/925026304.db2.gz KBGVXHPGRYNRQS-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402758585 925026315 /nfs/dbraw/zinc/02/63/15/925026315.db2.gz KBGVXHPGRYNRQS-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402758588 925028000 /nfs/dbraw/zinc/02/80/00/925028000.db2.gz KBGVXHPGRYNRQS-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402758588 925028009 /nfs/dbraw/zinc/02/80/09/925028009.db2.gz KBGVXHPGRYNRQS-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402889931 925037704 /nfs/dbraw/zinc/03/77/04/925037704.db2.gz IPVKWNOZWAQEBG-RYUDHWBXSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402889931 925037714 /nfs/dbraw/zinc/03/77/14/925037714.db2.gz IPVKWNOZWAQEBG-RYUDHWBXSA-N 2 1 312.414 -1.245 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403144165 925054333 /nfs/dbraw/zinc/05/43/33/925054333.db2.gz QQVRKEBPTQRSHN-VIFPVBQESA-N 2 1 310.358 -1.259 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001403697195 925121023 /nfs/dbraw/zinc/12/10/23/925121023.db2.gz AFXINPCGZBLWQP-KGLIPLIRSA-N 2 1 315.414 -1.188 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731925 925132394 /nfs/dbraw/zinc/13/23/94/925132394.db2.gz RCICLEMJHPQSHR-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001403767846 925140118 /nfs/dbraw/zinc/14/01/18/925140118.db2.gz XOTKQLICQPZCGR-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001403767846 925140124 /nfs/dbraw/zinc/14/01/24/925140124.db2.gz XOTKQLICQPZCGR-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001403767846 925140133 /nfs/dbraw/zinc/14/01/33/925140133.db2.gz XOTKQLICQPZCGR-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001403767846 925140138 /nfs/dbraw/zinc/14/01/38/925140138.db2.gz XOTKQLICQPZCGR-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403766136 925140907 /nfs/dbraw/zinc/14/09/07/925140907.db2.gz CYOJVCILKQWWAX-NSHDSACASA-N 2 1 306.432 -1.465 20 0 DAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001403766136 925140916 /nfs/dbraw/zinc/14/09/16/925140916.db2.gz CYOJVCILKQWWAX-NSHDSACASA-N 2 1 306.432 -1.465 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001403766136 925140923 /nfs/dbraw/zinc/14/09/23/925140923.db2.gz CYOJVCILKQWWAX-NSHDSACASA-N 2 1 306.432 -1.465 20 0 DAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403766136 925140927 /nfs/dbraw/zinc/14/09/27/925140927.db2.gz CYOJVCILKQWWAX-NSHDSACASA-N 2 1 306.432 -1.465 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001403892897 925167933 /nfs/dbraw/zinc/16/79/33/925167933.db2.gz IIISOCYSHZBWCX-QWHCGFSZSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001403892897 925167937 /nfs/dbraw/zinc/16/79/37/925167937.db2.gz IIISOCYSHZBWCX-QWHCGFSZSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403892897 925167939 /nfs/dbraw/zinc/16/79/39/925167939.db2.gz IIISOCYSHZBWCX-QWHCGFSZSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001403892897 925167943 /nfs/dbraw/zinc/16/79/43/925167943.db2.gz IIISOCYSHZBWCX-QWHCGFSZSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001403892900 925167964 /nfs/dbraw/zinc/16/79/64/925167964.db2.gz IIISOCYSHZBWCX-STQMWFEESA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001403892900 925167967 /nfs/dbraw/zinc/16/79/67/925167967.db2.gz IIISOCYSHZBWCX-STQMWFEESA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403892900 925167971 /nfs/dbraw/zinc/16/79/71/925167971.db2.gz IIISOCYSHZBWCX-STQMWFEESA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403892900 925167974 /nfs/dbraw/zinc/16/79/74/925167974.db2.gz IIISOCYSHZBWCX-STQMWFEESA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001403902759 925171274 /nfs/dbraw/zinc/17/12/74/925171274.db2.gz QXQDHLDJGOJVOJ-LBPRGKRZSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001403902759 925171279 /nfs/dbraw/zinc/17/12/79/925171279.db2.gz QXQDHLDJGOJVOJ-LBPRGKRZSA-N 2 1 312.414 -1.149 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001403924015 925173195 /nfs/dbraw/zinc/17/31/95/925173195.db2.gz YAPJXEIOPIHHLX-KGLIPLIRSA-N 2 1 317.430 -1.302 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404081006 925182959 /nfs/dbraw/zinc/18/29/59/925182959.db2.gz LKPMSIXEFUESRU-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404081006 925182966 /nfs/dbraw/zinc/18/29/66/925182966.db2.gz LKPMSIXEFUESRU-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404081006 925182974 /nfs/dbraw/zinc/18/29/74/925182974.db2.gz LKPMSIXEFUESRU-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001404624907 925206610 /nfs/dbraw/zinc/20/66/10/925206610.db2.gz KBGVXHPGRYNRQS-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001404624907 925206619 /nfs/dbraw/zinc/20/66/19/925206619.db2.gz KBGVXHPGRYNRQS-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405281816 925277451 /nfs/dbraw/zinc/27/74/51/925277451.db2.gz JNOILAYJIIDNEC-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001405291984 925279957 /nfs/dbraw/zinc/27/99/57/925279957.db2.gz WMNKDLAUBTYIPI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405291984 925279967 /nfs/dbraw/zinc/27/99/67/925279967.db2.gz WMNKDLAUBTYIPI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405291984 925279977 /nfs/dbraw/zinc/27/99/77/925279977.db2.gz WMNKDLAUBTYIPI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001405865912 925339801 /nfs/dbraw/zinc/33/98/01/925339801.db2.gz DCEGBDYPHUNRLF-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406217627 925359376 /nfs/dbraw/zinc/35/93/76/925359376.db2.gz NGQOIQATTRRTCN-FRRDWIJNSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406244057 925372864 /nfs/dbraw/zinc/37/28/64/925372864.db2.gz MMFFBVCSZCADCB-CYBMUJFWSA-N 2 1 310.402 -1.134 20 0 DAADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406254110 925380173 /nfs/dbraw/zinc/38/01/73/925380173.db2.gz MTPBUGGENQRIQU-RYUDHWBXSA-N 2 1 300.403 -1.341 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289636 925396683 /nfs/dbraw/zinc/39/66/83/925396683.db2.gz ONRAQYNBZCQXBS-MNOVXSKESA-N 2 1 302.375 -2.480 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289636 925396694 /nfs/dbraw/zinc/39/66/94/925396694.db2.gz ONRAQYNBZCQXBS-MNOVXSKESA-N 2 1 302.375 -2.480 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289642 925397232 /nfs/dbraw/zinc/39/72/32/925397232.db2.gz ONRAQYNBZCQXBS-QWRGUYRKSA-N 2 1 302.375 -2.480 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001406289642 925397243 /nfs/dbraw/zinc/39/72/43/925397243.db2.gz ONRAQYNBZCQXBS-QWRGUYRKSA-N 2 1 302.375 -2.480 20 0 DAADMP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001406298979 925400884 /nfs/dbraw/zinc/40/08/84/925400884.db2.gz VYUSVSVYIPCLLE-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001406315521 925400985 /nfs/dbraw/zinc/40/09/85/925400985.db2.gz YUAGPAYIRIUHIM-VXGBXAGGSA-N 2 1 300.403 -1.376 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001406315011 925401033 /nfs/dbraw/zinc/40/10/33/925401033.db2.gz YUAGPAYIRIUHIM-NEPJUHHUSA-N 2 1 300.403 -1.376 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406399562 925413439 /nfs/dbraw/zinc/41/34/39/925413439.db2.gz LPJMQHACXILUGQ-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407178212 925456878 /nfs/dbraw/zinc/45/68/78/925456878.db2.gz KXQPKGXJMKVCDB-AWEZNQCLSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407178212 925456882 /nfs/dbraw/zinc/45/68/82/925456882.db2.gz KXQPKGXJMKVCDB-AWEZNQCLSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407178216 925456939 /nfs/dbraw/zinc/45/69/39/925456939.db2.gz KXQPKGXJMKVCDB-CQSZACIVSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407178216 925456947 /nfs/dbraw/zinc/45/69/47/925456947.db2.gz KXQPKGXJMKVCDB-CQSZACIVSA-N 2 1 313.402 -1.026 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186546 925459210 /nfs/dbraw/zinc/45/92/10/925459210.db2.gz TUVGJPDTOQKBAA-YGRLFVJLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186546 925459214 /nfs/dbraw/zinc/45/92/14/925459214.db2.gz TUVGJPDTOQKBAA-YGRLFVJLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186546 925459219 /nfs/dbraw/zinc/45/92/19/925459219.db2.gz TUVGJPDTOQKBAA-YGRLFVJLSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186546 925459222 /nfs/dbraw/zinc/45/92/22/925459222.db2.gz TUVGJPDTOQKBAA-YGRLFVJLSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407227671 925460149 /nfs/dbraw/zinc/46/01/49/925460149.db2.gz HXLDIQGWKWHYAZ-SWLSCSKDSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407227671 925460156 /nfs/dbraw/zinc/46/01/56/925460156.db2.gz HXLDIQGWKWHYAZ-SWLSCSKDSA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407371869 925473224 /nfs/dbraw/zinc/47/32/24/925473224.db2.gz WDXRZUFDTJKSGC-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001407371869 925473226 /nfs/dbraw/zinc/47/32/26/925473226.db2.gz WDXRZUFDTJKSGC-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001407664519 925517585 /nfs/dbraw/zinc/51/75/85/925517585.db2.gz COEAOVUFSLMRBV-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001407866708 925532584 /nfs/dbraw/zinc/53/25/84/925532584.db2.gz RVSJWHDCVMYPNY-RYUDHWBXSA-N 2 1 309.370 -1.118 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001408105417 925548243 /nfs/dbraw/zinc/54/82/43/925548243.db2.gz MJBAKLUTUNNKFW-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CC[NH+](C)C ZINC001408105417 925548252 /nfs/dbraw/zinc/54/82/52/925548252.db2.gz MJBAKLUTUNNKFW-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001408148288 925551209 /nfs/dbraw/zinc/55/12/09/925551209.db2.gz VHIADMQOOIVLNS-LLVKDONJSA-N 2 1 314.386 -2.255 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001408148288 925551217 /nfs/dbraw/zinc/55/12/17/925551217.db2.gz VHIADMQOOIVLNS-LLVKDONJSA-N 2 1 314.386 -2.255 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001408192548 925555558 /nfs/dbraw/zinc/55/55/58/925555558.db2.gz KSBKHWGBJVJDHO-RYUDHWBXSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001408192548 925555566 /nfs/dbraw/zinc/55/55/66/925555566.db2.gz KSBKHWGBJVJDHO-RYUDHWBXSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)CC(N)=O ZINC001409638417 925640521 /nfs/dbraw/zinc/64/05/21/925640521.db2.gz CROAGBKAROFOSN-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)CC(N)=O ZINC001409638417 925640524 /nfs/dbraw/zinc/64/05/24/925640524.db2.gz CROAGBKAROFOSN-NSHDSACASA-N 2 1 310.402 -1.020 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075222 925674122 /nfs/dbraw/zinc/67/41/22/925674122.db2.gz CUAFNVITBCFSEB-OLZOCXBDSA-N 2 1 324.425 -1.230 20 0 DAADMP O=C(C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)N1CCC1 ZINC001410685387 925758426 /nfs/dbraw/zinc/75/84/26/925758426.db2.gz ICSINRJQPLNKOJ-CYBMUJFWSA-N 2 1 324.425 -1.086 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410756286 925773057 /nfs/dbraw/zinc/77/30/57/925773057.db2.gz JRGPZFCQJGKCQE-ZDUSSCGKSA-N 2 1 314.430 -1.079 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001410754566 925773082 /nfs/dbraw/zinc/77/30/82/925773082.db2.gz OTMHBJOZYQYNLC-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001410777647 925778493 /nfs/dbraw/zinc/77/84/93/925778493.db2.gz RFBZJNDNXUXDKY-QWRGUYRKSA-N 2 1 302.375 -2.351 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001410839048 925787766 /nfs/dbraw/zinc/78/77/66/925787766.db2.gz BFLCIJZPWSPSHU-MWLCHTKSSA-N 2 1 322.369 -1.035 20 0 DAADMP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001411036800 925802113 /nfs/dbraw/zinc/80/21/13/925802113.db2.gz BSRREHCTTIDDBF-JQWIXIFHSA-N 2 1 300.403 -1.247 20 0 DAADMP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001411044793 925804005 /nfs/dbraw/zinc/80/40/05/925804005.db2.gz PSOSSPLLFVPSQK-CHWSQXEVSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411131027 925816808 /nfs/dbraw/zinc/81/68/08/925816808.db2.gz AALCFRUSQADCIX-NWDGAFQWSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411131027 925816814 /nfs/dbraw/zinc/81/68/14/925816814.db2.gz AALCFRUSQADCIX-NWDGAFQWSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411130959 925816859 /nfs/dbraw/zinc/81/68/59/925816859.db2.gz AALCFRUSQADCIX-NEPJUHHUSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411130959 925816867 /nfs/dbraw/zinc/81/68/67/925816867.db2.gz AALCFRUSQADCIX-NEPJUHHUSA-N 2 1 310.402 -1.324 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411148027 925820252 /nfs/dbraw/zinc/82/02/52/925820252.db2.gz ULIMSZBQJLEIMS-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001411149346 925821417 /nfs/dbraw/zinc/82/14/17/925821417.db2.gz QMXRRPVOSQLXLF-GHMZBOCLSA-N 2 1 313.406 -1.541 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177642 925827467 /nfs/dbraw/zinc/82/74/67/925827467.db2.gz DBPZLRKZWAMTMX-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411240083 925833010 /nfs/dbraw/zinc/83/30/10/925833010.db2.gz SNXAORJVDGPRHZ-ILDUYXDCSA-N 2 1 311.386 -1.146 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001413982465 926092706 /nfs/dbraw/zinc/09/27/06/926092706.db2.gz ZKFLBGIMXVKXRG-CHWSQXEVSA-N 2 1 323.397 -1.169 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001416032030 926219515 /nfs/dbraw/zinc/21/95/15/926219515.db2.gz XICWFXBLBWJDJD-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[N@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001416032030 926219522 /nfs/dbraw/zinc/21/95/22/926219522.db2.gz XICWFXBLBWJDJD-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001416032030 926219531 /nfs/dbraw/zinc/21/95/31/926219531.db2.gz XICWFXBLBWJDJD-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CCC[NH+](C)CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001416032030 926219540 /nfs/dbraw/zinc/21/95/40/926219540.db2.gz XICWFXBLBWJDJD-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783465 926275455 /nfs/dbraw/zinc/27/54/55/926275455.db2.gz XGQUQRHBQLHCDF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[C@@H](C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1)[NH+](C)C ZINC001417820772 926339611 /nfs/dbraw/zinc/33/96/11/926339611.db2.gz LCPDZYUZPMINNG-JTQLQIEISA-N 2 1 324.385 -1.287 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317080 926381482 /nfs/dbraw/zinc/38/14/82/926381482.db2.gz YDMITFIKACKNRQ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001418317080 926381491 /nfs/dbraw/zinc/38/14/91/926381491.db2.gz YDMITFIKACKNRQ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418349687 926384521 /nfs/dbraw/zinc/38/45/21/926384521.db2.gz NQVMHCDVFBNQAA-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CCNC(=O)CN(C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001418524644 926397936 /nfs/dbraw/zinc/39/79/36/926397936.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCNC(=O)CN(C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001418524644 926397945 /nfs/dbraw/zinc/39/79/45/926397945.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001418570391 926404574 /nfs/dbraw/zinc/40/45/74/926404574.db2.gz KREQKFWOMCPXPR-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001418570391 926404578 /nfs/dbraw/zinc/40/45/78/926404578.db2.gz KREQKFWOMCPXPR-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001418570391 926404582 /nfs/dbraw/zinc/40/45/82/926404582.db2.gz KREQKFWOMCPXPR-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001418570391 926404586 /nfs/dbraw/zinc/40/45/86/926404586.db2.gz KREQKFWOMCPXPR-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(=O)NC(=O)NC ZINC001418567345 926404664 /nfs/dbraw/zinc/40/46/64/926404664.db2.gz VFXJKSGPYVTPFS-UHFFFAOYSA-N 2 1 301.391 -1.168 20 0 DAADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(=O)NC(=O)NC ZINC001418567345 926404668 /nfs/dbraw/zinc/40/46/68/926404668.db2.gz VFXJKSGPYVTPFS-UHFFFAOYSA-N 2 1 301.391 -1.168 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418615996 926411171 /nfs/dbraw/zinc/41/11/71/926411171.db2.gz IXYXLSNSSWJKRI-RVMXOQNASA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418615996 926411191 /nfs/dbraw/zinc/41/11/91/926411191.db2.gz IXYXLSNSSWJKRI-RVMXOQNASA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001418651973 926413184 /nfs/dbraw/zinc/41/31/84/926413184.db2.gz OLUCCMPMFIEWMU-BETUJISGSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001418669055 926415068 /nfs/dbraw/zinc/41/50/68/926415068.db2.gz BKHDWDYCRZHTQS-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419173567 926465432 /nfs/dbraw/zinc/46/54/32/926465432.db2.gz GFJKTDITUJQPOM-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419173567 926465437 /nfs/dbraw/zinc/46/54/37/926465437.db2.gz GFJKTDITUJQPOM-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NC ZINC001419264038 926470263 /nfs/dbraw/zinc/47/02/63/926470263.db2.gz OXFZHPAJIDPFER-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001419364714 926473866 /nfs/dbraw/zinc/47/38/66/926473866.db2.gz ISYSTOZHXCAYHM-QWRGUYRKSA-N 2 1 311.386 -1.273 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001419463981 926479039 /nfs/dbraw/zinc/47/90/39/926479039.db2.gz VOYWKFDZDLRGKT-KXUCPTDWSA-N 2 1 313.358 -2.251 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001419463981 926479042 /nfs/dbraw/zinc/47/90/42/926479042.db2.gz VOYWKFDZDLRGKT-KXUCPTDWSA-N 2 1 313.358 -2.251 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721426 926496605 /nfs/dbraw/zinc/49/66/05/926496605.db2.gz UQLLQLXKELUJJP-IUCAKERBSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001419721426 926496612 /nfs/dbraw/zinc/49/66/12/926496612.db2.gz UQLLQLXKELUJJP-IUCAKERBSA-N 2 1 301.347 -2.394 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001419874138 926506169 /nfs/dbraw/zinc/50/61/69/926506169.db2.gz HRKNRFAGDIARGR-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001420020319 926517251 /nfs/dbraw/zinc/51/72/51/926517251.db2.gz UUSHARVBASARRX-MNOVXSKESA-N 2 1 311.386 -1.429 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001420119188 926528519 /nfs/dbraw/zinc/52/85/19/926528519.db2.gz ZWBKNLPFFBVGDM-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001420142370 926539435 /nfs/dbraw/zinc/53/94/35/926539435.db2.gz QBXFPJUXCGDWQS-LLVKDONJSA-N 2 1 310.402 -1.134 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177182 926553988 /nfs/dbraw/zinc/55/39/88/926553988.db2.gz WFSXQPPSMPBAGT-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420177182 926553994 /nfs/dbraw/zinc/55/39/94/926553994.db2.gz WFSXQPPSMPBAGT-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420192856 926558827 /nfs/dbraw/zinc/55/88/27/926558827.db2.gz RSRWDHBMAIMYEO-NWDGAFQWSA-N 2 1 300.403 -1.471 20 0 DAADMP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001420194894 926561810 /nfs/dbraw/zinc/56/18/10/926561810.db2.gz LDAFEYDEMSPUHM-CYBMUJFWSA-N 2 1 322.413 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](O)COC)CC2)C1 ZINC001421008140 926634236 /nfs/dbraw/zinc/63/42/36/926634236.db2.gz WPBOJVABLHFIMQ-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]C[C@H](O)COC)CC2)C1 ZINC001421008140 926634239 /nfs/dbraw/zinc/63/42/39/926634239.db2.gz WPBOJVABLHFIMQ-QWHCGFSZSA-N 2 1 315.414 -1.047 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001421368361 926675394 /nfs/dbraw/zinc/67/53/94/926675394.db2.gz YSDUDKRVFPQRRD-IUODEOHRSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001421368361 926675399 /nfs/dbraw/zinc/67/53/99/926675399.db2.gz YSDUDKRVFPQRRD-IUODEOHRSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001421366712 926675814 /nfs/dbraw/zinc/67/58/14/926675814.db2.gz WYOLADNTPZJCPR-UMVBOHGHSA-N 2 1 317.430 -1.113 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379749 926679209 /nfs/dbraw/zinc/67/92/09/926679209.db2.gz TYEXPGHXULOFFM-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379749 926679225 /nfs/dbraw/zinc/67/92/25/926679225.db2.gz TYEXPGHXULOFFM-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389028 926683418 /nfs/dbraw/zinc/68/34/18/926683418.db2.gz DQUJUBIXTJHHAU-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389028 926683430 /nfs/dbraw/zinc/68/34/30/926683430.db2.gz DQUJUBIXTJHHAU-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389005 926684923 /nfs/dbraw/zinc/68/49/23/926684923.db2.gz DQUJUBIXTJHHAU-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389005 926684932 /nfs/dbraw/zinc/68/49/32/926684932.db2.gz DQUJUBIXTJHHAU-DZGCQCFKSA-N 2 1 315.414 -1.358 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCn3cncn3)C2)C1 ZINC001421396431 926686949 /nfs/dbraw/zinc/68/69/49/926686949.db2.gz ZLRTWSFQBCNAJR-DZGCQCFKSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCn3cncn3)C2)C1 ZINC001421396431 926686960 /nfs/dbraw/zinc/68/69/60/926686960.db2.gz ZLRTWSFQBCNAJR-DZGCQCFKSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)C1 ZINC001421396431 926686969 /nfs/dbraw/zinc/68/69/69/926686969.db2.gz ZLRTWSFQBCNAJR-DZGCQCFKSA-N 2 1 322.413 -1.217 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001421819101 926763533 /nfs/dbraw/zinc/76/35/33/926763533.db2.gz JWJQRZYHSZVVQZ-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001421819112 926764346 /nfs/dbraw/zinc/76/43/46/926764346.db2.gz JWJQRZYHSZVVQZ-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001421813953 926764769 /nfs/dbraw/zinc/76/47/69/926764769.db2.gz DFJCMCVBXHNHFI-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422255724 926802422 /nfs/dbraw/zinc/80/24/22/926802422.db2.gz LVNUDLDAXIQORB-VQXHTEKXSA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278949 926808958 /nfs/dbraw/zinc/80/89/58/926808958.db2.gz WDFFTCCDVKFXJQ-NWDGAFQWSA-N 2 1 314.386 -2.384 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278949 926808967 /nfs/dbraw/zinc/80/89/67/926808967.db2.gz WDFFTCCDVKFXJQ-NWDGAFQWSA-N 2 1 314.386 -2.384 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422278755 926809032 /nfs/dbraw/zinc/80/90/32/926809032.db2.gz VRSPAWMXAYCZIR-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422278755 926809041 /nfs/dbraw/zinc/80/90/41/926809041.db2.gz VRSPAWMXAYCZIR-VXGBXAGGSA-N 2 1 316.402 -2.138 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001422307479 926821680 /nfs/dbraw/zinc/82/16/80/926821680.db2.gz FBTDWLYVHVOFFX-IJLUTSLNSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001422307479 926821690 /nfs/dbraw/zinc/82/16/90/926821690.db2.gz FBTDWLYVHVOFFX-IJLUTSLNSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001422314501 926824694 /nfs/dbraw/zinc/82/46/94/926824694.db2.gz JUVXSPSKJAKFCR-KGYLQXTDSA-N 2 1 310.402 -1.278 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422339561 926838463 /nfs/dbraw/zinc/83/84/63/926838463.db2.gz CRQMRXBTMKIXSJ-NSHDSACASA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422339329 926838648 /nfs/dbraw/zinc/83/86/48/926838648.db2.gz YMMFHKINEZAJKQ-GFCCVEGCSA-N 2 1 309.370 -1.509 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422339556 926838686 /nfs/dbraw/zinc/83/86/86/926838686.db2.gz CRQMRXBTMKIXSJ-LLVKDONJSA-N 2 1 310.402 -1.276 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422366421 926852023 /nfs/dbraw/zinc/85/20/23/926852023.db2.gz ZQLKDLWZXTUZTE-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001422379136 926857205 /nfs/dbraw/zinc/85/72/05/926857205.db2.gz KHKNKYWJBSFOFA-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001422406120 926866953 /nfs/dbraw/zinc/86/69/53/926866953.db2.gz XDAAOCBUPQOCMG-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001422406120 926866968 /nfs/dbraw/zinc/86/69/68/926866968.db2.gz XDAAOCBUPQOCMG-AAEUAGOBSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422406139 926867350 /nfs/dbraw/zinc/86/73/50/926867350.db2.gz XECVDLYDJJZTIN-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422406139 926867361 /nfs/dbraw/zinc/86/73/61/926867361.db2.gz XECVDLYDJJZTIN-NWDGAFQWSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422406142 926867908 /nfs/dbraw/zinc/86/79/08/926867908.db2.gz XECVDLYDJJZTIN-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422406142 926867923 /nfs/dbraw/zinc/86/79/23/926867923.db2.gz XECVDLYDJJZTIN-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001422412806 926870471 /nfs/dbraw/zinc/87/04/71/926870471.db2.gz VMHWSMZALKZHMT-CHWSQXEVSA-N 2 1 312.418 -1.032 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422743550 926912131 /nfs/dbraw/zinc/91/21/31/926912131.db2.gz LRYYDFQJLHDIMV-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422902710 926927100 /nfs/dbraw/zinc/92/71/00/926927100.db2.gz SZJHMMVCVHRROH-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC(=O)NC(N)=O ZINC001422902710 926927109 /nfs/dbraw/zinc/92/71/09/926927109.db2.gz SZJHMMVCVHRROH-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001422902710 926927113 /nfs/dbraw/zinc/92/71/13/926927113.db2.gz SZJHMMVCVHRROH-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001422902710 926927123 /nfs/dbraw/zinc/92/71/23/926927123.db2.gz SZJHMMVCVHRROH-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC(C)[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001422941950 926930710 /nfs/dbraw/zinc/93/07/10/926930710.db2.gz BAPXZACDAYKYRR-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP CC(C)[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001422941950 926930719 /nfs/dbraw/zinc/93/07/19/926930719.db2.gz BAPXZACDAYKYRR-VXGBXAGGSA-N 2 1 300.403 -1.077 20 0 DAADMP CC(C)[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001422941947 926930825 /nfs/dbraw/zinc/93/08/25/926930825.db2.gz BAPXZACDAYKYRR-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP CC(C)[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001422941947 926930834 /nfs/dbraw/zinc/93/08/34/926930834.db2.gz BAPXZACDAYKYRR-NEPJUHHUSA-N 2 1 300.403 -1.077 20 0 DAADMP C[C@@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422936043 926931554 /nfs/dbraw/zinc/93/15/54/926931554.db2.gz NSFREQDDMIAHCR-QWRGUYRKSA-N 2 1 310.402 -1.003 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001423211453 926973927 /nfs/dbraw/zinc/97/39/27/926973927.db2.gz LOPHKKVSORQIHR-FRRDWIJNSA-N 2 1 310.402 -1.315 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423228335 926984008 /nfs/dbraw/zinc/98/40/08/926984008.db2.gz KYJIYCCORPKJHK-GFCCVEGCSA-N 2 1 312.414 -1.182 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001423230171 926986335 /nfs/dbraw/zinc/98/63/35/926986335.db2.gz MJFDBVQZZWHBMV-AAEUAGOBSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001423230171 926986345 /nfs/dbraw/zinc/98/63/45/926986345.db2.gz MJFDBVQZZWHBMV-AAEUAGOBSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001423230182 926986454 /nfs/dbraw/zinc/98/64/54/926986454.db2.gz MJFDBVQZZWHBMV-YPMHNXCESA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001423230182 926986461 /nfs/dbraw/zinc/98/64/61/926986461.db2.gz MJFDBVQZZWHBMV-YPMHNXCESA-N 2 1 310.402 -1.134 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001423261042 927001971 /nfs/dbraw/zinc/00/19/71/927001971.db2.gz JGXDJWJHWWPQMO-VXGBXAGGSA-N 2 1 313.402 -1.828 20 0 DAADMP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423300021 927021137 /nfs/dbraw/zinc/02/11/37/927021137.db2.gz HAYYVOPITZYHBH-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001423434089 927049258 /nfs/dbraw/zinc/04/92/58/927049258.db2.gz OGMMUSOAIIHQSQ-GHMZBOCLSA-N 2 1 302.375 -2.528 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001423434089 927049270 /nfs/dbraw/zinc/04/92/70/927049270.db2.gz OGMMUSOAIIHQSQ-GHMZBOCLSA-N 2 1 302.375 -2.528 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423483056 927074769 /nfs/dbraw/zinc/07/47/69/927074769.db2.gz IWDYVAOACGVERZ-WCQYABFASA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423483056 927074785 /nfs/dbraw/zinc/07/47/85/927074785.db2.gz IWDYVAOACGVERZ-WCQYABFASA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542441 927090390 /nfs/dbraw/zinc/09/03/90/927090390.db2.gz KAQRNMYAJOUUSJ-NWDGAFQWSA-N 2 1 311.386 -1.231 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542436 927093613 /nfs/dbraw/zinc/09/36/13/927093613.db2.gz KAQRNMYAJOUUSJ-NEPJUHHUSA-N 2 1 311.386 -1.231 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423673623 927104080 /nfs/dbraw/zinc/10/40/80/927104080.db2.gz YJMWMNXWZRXFOR-WXRRBKDZSA-N 2 1 312.414 -1.016 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423673623 927104090 /nfs/dbraw/zinc/10/40/90/927104090.db2.gz YJMWMNXWZRXFOR-WXRRBKDZSA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001423762176 927119905 /nfs/dbraw/zinc/11/99/05/927119905.db2.gz LTUJRKRQNHMYBU-YWPYICTPSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001423762176 927119915 /nfs/dbraw/zinc/11/99/15/927119915.db2.gz LTUJRKRQNHMYBU-YWPYICTPSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001423762176 927119926 /nfs/dbraw/zinc/11/99/26/927119926.db2.gz LTUJRKRQNHMYBU-YWPYICTPSA-N 2 1 312.414 -1.245 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001423762176 927119937 /nfs/dbraw/zinc/11/99/37/927119937.db2.gz LTUJRKRQNHMYBU-YWPYICTPSA-N 2 1 312.414 -1.245 20 0 DAADMP CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001423780378 927123617 /nfs/dbraw/zinc/12/36/17/927123617.db2.gz SQYZRTQGDMMQND-HNNXBMFYSA-N 2 1 312.414 -1.101 20 0 DAADMP CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001423780378 927123633 /nfs/dbraw/zinc/12/36/33/927123633.db2.gz SQYZRTQGDMMQND-HNNXBMFYSA-N 2 1 312.414 -1.101 20 0 DAADMP CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001423780383 927124029 /nfs/dbraw/zinc/12/40/29/927124029.db2.gz SQYZRTQGDMMQND-OAHLLOKOSA-N 2 1 312.414 -1.101 20 0 DAADMP CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001423780383 927124041 /nfs/dbraw/zinc/12/40/41/927124041.db2.gz SQYZRTQGDMMQND-OAHLLOKOSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424399218 927232860 /nfs/dbraw/zinc/23/28/60/927232860.db2.gz FFEHDIQBTONXDV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001424399218 927232871 /nfs/dbraw/zinc/23/28/71/927232871.db2.gz FFEHDIQBTONXDV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425331804 927321175 /nfs/dbraw/zinc/32/11/75/927321175.db2.gz UKKLEQMOQVJWOB-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425331804 927321188 /nfs/dbraw/zinc/32/11/88/927321188.db2.gz UKKLEQMOQVJWOB-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001425400793 927349472 /nfs/dbraw/zinc/34/94/72/927349472.db2.gz YFIJVGZTLJVIGG-AVGNSLFASA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001425400793 927349483 /nfs/dbraw/zinc/34/94/83/927349483.db2.gz YFIJVGZTLJVIGG-AVGNSLFASA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425775851 927439845 /nfs/dbraw/zinc/43/98/45/927439845.db2.gz NKIAPSXNHRZJDU-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001425786104 927446277 /nfs/dbraw/zinc/44/62/77/927446277.db2.gz AUCWVUDYWDEFCV-LLVKDONJSA-N 2 1 300.403 -1.327 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425826883 927465135 /nfs/dbraw/zinc/46/51/35/927465135.db2.gz CRQCWTLOQHCVNK-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001426026772 927508297 /nfs/dbraw/zinc/50/82/97/927508297.db2.gz BYBOXGNZTVGOBV-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC2 ZINC001426027384 927511848 /nfs/dbraw/zinc/51/18/48/927511848.db2.gz NDUDQEXRDUDZAQ-YPMHNXCESA-N 2 1 323.397 -1.352 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001426029965 927512050 /nfs/dbraw/zinc/51/20/50/927512050.db2.gz NXTAAGOUTUITKD-CYBMUJFWSA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426063299 927520954 /nfs/dbraw/zinc/52/09/54/927520954.db2.gz YPIJVIGKKQGOAC-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426063299 927520965 /nfs/dbraw/zinc/52/09/65/927520965.db2.gz YPIJVIGKKQGOAC-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426063299 927520975 /nfs/dbraw/zinc/52/09/75/927520975.db2.gz YPIJVIGKKQGOAC-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@@H](O)C[NH+](C)CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426063299 927520985 /nfs/dbraw/zinc/52/09/85/927520985.db2.gz YPIJVIGKKQGOAC-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001426081736 927526828 /nfs/dbraw/zinc/52/68/28/927526828.db2.gz NIGFZZRHHWDBGU-CYBMUJFWSA-N 2 1 314.430 -1.079 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001426081736 927526837 /nfs/dbraw/zinc/52/68/37/927526837.db2.gz NIGFZZRHHWDBGU-CYBMUJFWSA-N 2 1 314.430 -1.079 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001427835193 927686775 /nfs/dbraw/zinc/68/67/75/927686775.db2.gz YOGFRPGSMDMIBV-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001428459822 927779734 /nfs/dbraw/zinc/77/97/34/927779734.db2.gz AJNNMVYKJMWWBO-COMQUAJESA-N 2 1 324.425 -1.158 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001428459822 927779745 /nfs/dbraw/zinc/77/97/45/927779745.db2.gz AJNNMVYKJMWWBO-COMQUAJESA-N 2 1 324.425 -1.158 20 0 DAADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001430175100 927920111 /nfs/dbraw/zinc/92/01/11/927920111.db2.gz ZAIIQJOHIOKEJG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCCC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001430175100 927920118 /nfs/dbraw/zinc/92/01/18/927920118.db2.gz ZAIIQJOHIOKEJG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001431536999 928055649 /nfs/dbraw/zinc/05/56/49/928055649.db2.gz DHLKVKVFVVUCFR-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001431536999 928055667 /nfs/dbraw/zinc/05/56/67/928055667.db2.gz DHLKVKVFVVUCFR-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431536999 928055684 /nfs/dbraw/zinc/05/56/84/928055684.db2.gz DHLKVKVFVVUCFR-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432245640 928121631 /nfs/dbraw/zinc/12/16/31/928121631.db2.gz ULUHXSGPPOJZLH-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432245640 928121639 /nfs/dbraw/zinc/12/16/39/928121639.db2.gz ULUHXSGPPOJZLH-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457105 928399566 /nfs/dbraw/zinc/39/95/66/928399566.db2.gz IULDPIZDKBJUGL-CHWSQXEVSA-N 2 1 312.414 -1.291 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457105 928399576 /nfs/dbraw/zinc/39/95/76/928399576.db2.gz IULDPIZDKBJUGL-CHWSQXEVSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)C1 ZINC001436457105 928399586 /nfs/dbraw/zinc/39/95/86/928399586.db2.gz IULDPIZDKBJUGL-CHWSQXEVSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)C1 ZINC001436457105 928399600 /nfs/dbraw/zinc/39/96/00/928399600.db2.gz IULDPIZDKBJUGL-CHWSQXEVSA-N 2 1 312.414 -1.291 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001437082985 928423057 /nfs/dbraw/zinc/42/30/57/928423057.db2.gz REFKGUUMXNPJHV-LVEVGFFFSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001437082985 928423065 /nfs/dbraw/zinc/42/30/65/928423065.db2.gz REFKGUUMXNPJHV-LVEVGFFFSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437082985 928423071 /nfs/dbraw/zinc/42/30/71/928423071.db2.gz REFKGUUMXNPJHV-LVEVGFFFSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437082985 928423079 /nfs/dbraw/zinc/42/30/79/928423079.db2.gz REFKGUUMXNPJHV-LVEVGFFFSA-N 2 1 323.397 -1.432 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437116686 928426264 /nfs/dbraw/zinc/42/62/64/928426264.db2.gz BIKGJABBEFYNAN-UWVGGRQHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437116686 928426270 /nfs/dbraw/zinc/42/62/70/928426270.db2.gz BIKGJABBEFYNAN-UWVGGRQHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437116688 928427848 /nfs/dbraw/zinc/42/78/48/928427848.db2.gz BIKGJABBEFYNAN-ZJUUUORDSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437116688 928427853 /nfs/dbraw/zinc/42/78/53/928427853.db2.gz BIKGJABBEFYNAN-ZJUUUORDSA-N 2 1 315.374 -2.133 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001437264641 928440506 /nfs/dbraw/zinc/44/05/06/928440506.db2.gz WZMNAWBJCMYQIS-IUCAKERBSA-N 2 1 310.358 -1.131 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001437264636 928440667 /nfs/dbraw/zinc/44/06/67/928440667.db2.gz WZMNAWBJCMYQIS-BDAKNGLRSA-N 2 1 310.358 -1.131 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001437259132 928441459 /nfs/dbraw/zinc/44/14/59/928441459.db2.gz FBGWULHVQVWQCH-JTQLQIEISA-N 2 1 301.391 -1.124 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259871 928442089 /nfs/dbraw/zinc/44/20/89/928442089.db2.gz LEBANYUIJRDXIN-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259871 928442095 /nfs/dbraw/zinc/44/20/95/928442095.db2.gz LEBANYUIJRDXIN-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001437295743 928443817 /nfs/dbraw/zinc/44/38/17/928443817.db2.gz MAOLQHGCVAWVTF-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001437295743 928443826 /nfs/dbraw/zinc/44/38/26/928443826.db2.gz MAOLQHGCVAWVTF-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437422408 928448680 /nfs/dbraw/zinc/44/86/80/928448680.db2.gz NHFMUCJZSWMFJW-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437422420 928448719 /nfs/dbraw/zinc/44/87/19/928448719.db2.gz NHFMUCJZSWMFJW-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001437515948 928460057 /nfs/dbraw/zinc/46/00/57/928460057.db2.gz GFWFSPLTBNVURK-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001437515948 928460063 /nfs/dbraw/zinc/46/00/63/928460063.db2.gz GFWFSPLTBNVURK-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001437542879 928461310 /nfs/dbraw/zinc/46/13/10/928461310.db2.gz WCMLBMYUDHZEMF-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001437542879 928461314 /nfs/dbraw/zinc/46/13/14/928461314.db2.gz WCMLBMYUDHZEMF-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001437542879 928461319 /nfs/dbraw/zinc/46/13/19/928461319.db2.gz WCMLBMYUDHZEMF-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437542879 928461327 /nfs/dbraw/zinc/46/13/27/928461327.db2.gz WCMLBMYUDHZEMF-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001437734163 928476072 /nfs/dbraw/zinc/47/60/72/928476072.db2.gz BRPSBGOVYBEFMA-NSHDSACASA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437734163 928476078 /nfs/dbraw/zinc/47/60/78/928476078.db2.gz BRPSBGOVYBEFMA-NSHDSACASA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437734163 928476087 /nfs/dbraw/zinc/47/60/87/928476087.db2.gz BRPSBGOVYBEFMA-NSHDSACASA-N 2 1 313.402 -1.040 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001437832385 928481522 /nfs/dbraw/zinc/48/15/22/928481522.db2.gz PAAJJJKZXALHAB-SNVBAGLBSA-N 2 1 310.358 -1.177 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001438800987 928533632 /nfs/dbraw/zinc/53/36/32/928533632.db2.gz UTFAQZTUKDRIHG-RYUDHWBXSA-N 2 1 300.403 -1.207 20 0 DAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001438800987 928533639 /nfs/dbraw/zinc/53/36/39/928533639.db2.gz UTFAQZTUKDRIHG-RYUDHWBXSA-N 2 1 300.403 -1.207 20 0 DAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001438930990 928542039 /nfs/dbraw/zinc/54/20/39/928542039.db2.gz ZMGIXYOKNAEDJD-UHFFFAOYSA-N 2 1 311.386 -1.333 20 0 DAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001438930990 928542050 /nfs/dbraw/zinc/54/20/50/928542050.db2.gz ZMGIXYOKNAEDJD-UHFFFAOYSA-N 2 1 311.386 -1.333 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001438995496 928565355 /nfs/dbraw/zinc/56/53/55/928565355.db2.gz CTFDYIOTIYJUQU-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001439004099 928568953 /nfs/dbraw/zinc/56/89/53/928568953.db2.gz MREUIJDLSPWJDH-CYBMUJFWSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001439004099 928568963 /nfs/dbraw/zinc/56/89/63/928568963.db2.gz MREUIJDLSPWJDH-CYBMUJFWSA-N 2 1 310.402 -1.134 20 0 DAADMP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001439013878 928577552 /nfs/dbraw/zinc/57/75/52/928577552.db2.gz OSYBEUYSAAYJNO-CHWSQXEVSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001439013886 928578101 /nfs/dbraw/zinc/57/81/01/928578101.db2.gz OSYBEUYSAAYJNO-QWHCGFSZSA-N 2 1 312.414 -1.232 20 0 DAADMP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439040777 928588209 /nfs/dbraw/zinc/58/82/09/928588209.db2.gz FEBYUKOEBWCEHJ-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439040772 928588599 /nfs/dbraw/zinc/58/85/99/928588599.db2.gz FEBYUKOEBWCEHJ-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439162505 928603961 /nfs/dbraw/zinc/60/39/61/928603961.db2.gz LSCVAYBFJGPVSH-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001439783497 928643623 /nfs/dbraw/zinc/64/36/23/928643623.db2.gz VOIHQCLJFKMABV-LLVKDONJSA-N 2 1 322.369 -1.033 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001439783514 928643699 /nfs/dbraw/zinc/64/36/99/928643699.db2.gz VOIHQCLJFKMABV-NSHDSACASA-N 2 1 322.369 -1.033 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978699 928653320 /nfs/dbraw/zinc/65/33/20/928653320.db2.gz LZKWCMCCCHTBEV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978699 928653328 /nfs/dbraw/zinc/65/33/28/928653328.db2.gz LZKWCMCCCHTBEV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001439978699 928653331 /nfs/dbraw/zinc/65/33/31/928653331.db2.gz LZKWCMCCCHTBEV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978699 928653337 /nfs/dbraw/zinc/65/33/37/928653337.db2.gz LZKWCMCCCHTBEV-TZMCWYRMSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978697 928654925 /nfs/dbraw/zinc/65/49/25/928654925.db2.gz LZKWCMCCCHTBEV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001439978697 928654930 /nfs/dbraw/zinc/65/49/30/928654930.db2.gz LZKWCMCCCHTBEV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001439978697 928654936 /nfs/dbraw/zinc/65/49/36/928654936.db2.gz LZKWCMCCCHTBEV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978697 928654941 /nfs/dbraw/zinc/65/49/41/928654941.db2.gz LZKWCMCCCHTBEV-OCCSQVGLSA-N 2 1 301.387 -1.748 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439988112 928656607 /nfs/dbraw/zinc/65/66/07/928656607.db2.gz KCWFQFBGTWLYBE-SWLSCSKDSA-N 2 1 310.398 -1.634 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439988112 928656613 /nfs/dbraw/zinc/65/66/13/928656613.db2.gz KCWFQFBGTWLYBE-SWLSCSKDSA-N 2 1 310.398 -1.634 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439984570 928656685 /nfs/dbraw/zinc/65/66/85/928656685.db2.gz AHNZQRZMNFPLNO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439984570 928656688 /nfs/dbraw/zinc/65/66/88/928656688.db2.gz AHNZQRZMNFPLNO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001439984570 928656692 /nfs/dbraw/zinc/65/66/92/928656692.db2.gz AHNZQRZMNFPLNO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439984570 928656697 /nfs/dbraw/zinc/65/66/97/928656697.db2.gz AHNZQRZMNFPLNO-HNNXBMFYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439986031 928657136 /nfs/dbraw/zinc/65/71/36/928657136.db2.gz DBVISJRXTYVGIJ-RISCZKNCSA-N 2 1 318.393 -1.295 20 0 DAADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439986031 928657145 /nfs/dbraw/zinc/65/71/45/928657145.db2.gz DBVISJRXTYVGIJ-RISCZKNCSA-N 2 1 318.393 -1.295 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001440019690 928668705 /nfs/dbraw/zinc/66/87/05/928668705.db2.gz ZDRKKQGMCKWRSJ-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001440019690 928668707 /nfs/dbraw/zinc/66/87/07/928668707.db2.gz ZDRKKQGMCKWRSJ-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001440019690 928668711 /nfs/dbraw/zinc/66/87/11/928668711.db2.gz ZDRKKQGMCKWRSJ-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001440019690 928668713 /nfs/dbraw/zinc/66/87/13/928668713.db2.gz ZDRKKQGMCKWRSJ-BXUZGUMPSA-N 2 1 300.403 -1.245 20 0 DAADMP CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001440023583 928668817 /nfs/dbraw/zinc/66/88/17/928668817.db2.gz NFEHGKMVUHKATK-XJKSGUPXSA-N 2 1 324.425 -1.134 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440023616 928670025 /nfs/dbraw/zinc/67/00/25/928670025.db2.gz ORKKNQIZXRCDCX-INIZCTEOSA-N 2 1 324.425 -1.277 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440023616 928670030 /nfs/dbraw/zinc/67/00/30/928670030.db2.gz ORKKNQIZXRCDCX-INIZCTEOSA-N 2 1 324.425 -1.277 20 0 DAADMP CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001440023580 928670197 /nfs/dbraw/zinc/67/01/97/928670197.db2.gz NFEHGKMVUHKATK-CZUORRHYSA-N 2 1 324.425 -1.134 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001440027187 928672720 /nfs/dbraw/zinc/67/27/20/928672720.db2.gz ZDXHKUCWCFBSBF-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001440027187 928672726 /nfs/dbraw/zinc/67/27/26/928672726.db2.gz ZDXHKUCWCFBSBF-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440027187 928672733 /nfs/dbraw/zinc/67/27/33/928672733.db2.gz ZDXHKUCWCFBSBF-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440027187 928672740 /nfs/dbraw/zinc/67/27/40/928672740.db2.gz ZDXHKUCWCFBSBF-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001440196938 928703526 /nfs/dbraw/zinc/70/35/26/928703526.db2.gz AAEUPKHJPVPEEY-NWDGAFQWSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001440196938 928703534 /nfs/dbraw/zinc/70/35/34/928703534.db2.gz AAEUPKHJPVPEEY-NWDGAFQWSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001440196941 928703830 /nfs/dbraw/zinc/70/38/30/928703830.db2.gz AAEUPKHJPVPEEY-VXGBXAGGSA-N 2 1 316.402 -2.009 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001440196941 928703839 /nfs/dbraw/zinc/70/38/39/928703839.db2.gz AAEUPKHJPVPEEY-VXGBXAGGSA-N 2 1 316.402 -2.009 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001440204021 928705093 /nfs/dbraw/zinc/70/50/93/928705093.db2.gz GISGYQIOGLUAFB-VXGBXAGGSA-N 2 1 300.403 -1.388 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440454706 928724078 /nfs/dbraw/zinc/72/40/78/928724078.db2.gz MAFZWAMTFXSHBV-GFCCVEGCSA-N 2 1 300.403 -1.291 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440454706 928724083 /nfs/dbraw/zinc/72/40/83/928724083.db2.gz MAFZWAMTFXSHBV-GFCCVEGCSA-N 2 1 300.403 -1.291 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440592861 928732704 /nfs/dbraw/zinc/73/27/04/928732704.db2.gz AYKPLCVFEMONKD-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001440761562 928742515 /nfs/dbraw/zinc/74/25/15/928742515.db2.gz QPXOZMZLUUDNOX-HSOILSAZSA-N 2 1 311.386 -1.383 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001441183839 928773800 /nfs/dbraw/zinc/77/38/00/928773800.db2.gz GDEKOPZHCNCDRL-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001441183839 928773806 /nfs/dbraw/zinc/77/38/06/928773806.db2.gz GDEKOPZHCNCDRL-STQMWFEESA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001441183831 928774004 /nfs/dbraw/zinc/77/40/04/928774004.db2.gz GDEKOPZHCNCDRL-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001441183831 928774015 /nfs/dbraw/zinc/77/40/15/928774015.db2.gz GDEKOPZHCNCDRL-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001441358542 928784438 /nfs/dbraw/zinc/78/44/38/928784438.db2.gz SOBFEUJVDJZSBA-XYPYZODXSA-N 2 1 322.369 -1.129 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001441441965 928789079 /nfs/dbraw/zinc/78/90/79/928789079.db2.gz SMFQVLQMXYKJMH-LMLFDSFASA-N 2 1 311.386 -1.242 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)NC(N)=O ZINC001441441961 928789833 /nfs/dbraw/zinc/78/98/33/928789833.db2.gz SMFQVLQMXYKJMH-GWOFURMSSA-N 2 1 311.386 -1.242 20 0 DAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441704527 928825833 /nfs/dbraw/zinc/82/58/33/928825833.db2.gz CKNKXAAQANFWKL-LLVKDONJSA-N 2 1 300.403 -1.374 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441719983 928838796 /nfs/dbraw/zinc/83/87/96/928838796.db2.gz LPCQRDZBTCKMTK-VXGBXAGGSA-N 2 1 309.370 -1.463 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441781943 928862351 /nfs/dbraw/zinc/86/23/51/928862351.db2.gz QCHYZCDJAJJKRP-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001441783605 928862394 /nfs/dbraw/zinc/86/23/94/928862394.db2.gz UQIDVGLGGUSJCB-WCQYABFASA-N 2 1 312.418 -1.032 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441827706 928872149 /nfs/dbraw/zinc/87/21/49/928872149.db2.gz OMSZDNHSQFVYHX-NWDGAFQWSA-N 2 1 300.403 -1.328 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441827701 928872495 /nfs/dbraw/zinc/87/24/95/928872495.db2.gz OMSZDNHSQFVYHX-NEPJUHHUSA-N 2 1 300.403 -1.328 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001442033884 928913110 /nfs/dbraw/zinc/91/31/10/928913110.db2.gz MPUGZDUIACPZTE-JTQLQIEISA-N 2 1 317.390 -2.070 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001442095402 928928124 /nfs/dbraw/zinc/92/81/24/928928124.db2.gz OSGYZBOIFAUXQW-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001442095402 928928140 /nfs/dbraw/zinc/92/81/40/928928140.db2.gz OSGYZBOIFAUXQW-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001442095402 928928154 /nfs/dbraw/zinc/92/81/54/928928154.db2.gz OSGYZBOIFAUXQW-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134912 928929390 /nfs/dbraw/zinc/92/93/90/928929390.db2.gz IBEVSUUCLLMRQU-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134912 928929402 /nfs/dbraw/zinc/92/94/02/928929402.db2.gz IBEVSUUCLLMRQU-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC(N)=O ZINC001442716370 928962989 /nfs/dbraw/zinc/96/29/89/928962989.db2.gz JIKPOVDJFUZLFC-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC(N)=O ZINC001442716370 928962997 /nfs/dbraw/zinc/96/29/97/928962997.db2.gz JIKPOVDJFUZLFC-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC(=O)NC(N)=O ZINC001442716370 928963005 /nfs/dbraw/zinc/96/30/05/928963005.db2.gz JIKPOVDJFUZLFC-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(=O)NC(N)=O ZINC001442716370 928963010 /nfs/dbraw/zinc/96/30/10/928963010.db2.gz JIKPOVDJFUZLFC-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP Cn1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)nc1=O ZINC001442883565 928974504 /nfs/dbraw/zinc/97/45/04/928974504.db2.gz SCBJAZAKZLJWOP-NSHDSACASA-N 2 1 310.402 -1.002 20 0 DAADMP Cn1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)nc1=O ZINC001442883565 928974512 /nfs/dbraw/zinc/97/45/12/928974512.db2.gz SCBJAZAKZLJWOP-NSHDSACASA-N 2 1 310.402 -1.002 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001444189911 929083349 /nfs/dbraw/zinc/08/33/49/929083349.db2.gz FAYGDSOMDWWCGR-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001444189908 929083658 /nfs/dbraw/zinc/08/36/58/929083658.db2.gz FAYGDSOMDWWCGR-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444310574 929110569 /nfs/dbraw/zinc/11/05/69/929110569.db2.gz OOEQISOJFWPDHE-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444310574 929110577 /nfs/dbraw/zinc/11/05/77/929110577.db2.gz OOEQISOJFWPDHE-NEPJUHHUSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444310720 929110769 /nfs/dbraw/zinc/11/07/69/929110769.db2.gz PFQSMAWXRWCMNB-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445162852 929172865 /nfs/dbraw/zinc/17/28/65/929172865.db2.gz SUHYKMPDHQBATD-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001445193393 929181950 /nfs/dbraw/zinc/18/19/50/929181950.db2.gz OVJCAEHHYGAESZ-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001445226657 929194230 /nfs/dbraw/zinc/19/42/30/929194230.db2.gz BXLOYPZZMWVPDK-AAEUAGOBSA-N 2 1 323.397 -1.433 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001445229221 929194788 /nfs/dbraw/zinc/19/47/88/929194788.db2.gz GUUMCEUUPRHDOZ-SNVBAGLBSA-N 2 1 311.390 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001445229218 929194832 /nfs/dbraw/zinc/19/48/32/929194832.db2.gz GUUMCEUUPRHDOZ-JTQLQIEISA-N 2 1 311.390 -1.881 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445237830 929197114 /nfs/dbraw/zinc/19/71/14/929197114.db2.gz SAFVUXGQJJDBSF-XUXIUFHCSA-N 2 1 317.430 -1.209 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001445260171 929204157 /nfs/dbraw/zinc/20/41/57/929204157.db2.gz KNBOGPZUKNIZFW-JQWIXIFHSA-N 2 1 313.406 -1.637 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445272292 929209742 /nfs/dbraw/zinc/20/97/42/929209742.db2.gz OVFHOMNUDICROL-NEPJUHHUSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445276447 929210170 /nfs/dbraw/zinc/21/01/70/929210170.db2.gz MJADCNAVZCXCQA-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445276450 929210804 /nfs/dbraw/zinc/21/08/04/929210804.db2.gz MJADCNAVZCXCQA-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445278022 929213424 /nfs/dbraw/zinc/21/34/24/929213424.db2.gz WZQIIKYRVKHIKW-NWDGAFQWSA-N 2 1 300.403 -1.517 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001445493168 929226656 /nfs/dbraw/zinc/22/66/56/929226656.db2.gz ATKMVARVCRTQGU-JHJVBQTASA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001445493168 929226670 /nfs/dbraw/zinc/22/66/70/929226670.db2.gz ATKMVARVCRTQGU-JHJVBQTASA-N 2 1 303.403 -1.191 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001445660949 929247369 /nfs/dbraw/zinc/24/73/69/929247369.db2.gz GIZJTCVHFKCHPY-UPJWGTAASA-N 2 1 312.414 -1.422 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001445663549 929249317 /nfs/dbraw/zinc/24/93/17/929249317.db2.gz OGSSVBUWRCJYCZ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001446701425 929302958 /nfs/dbraw/zinc/30/29/58/929302958.db2.gz REOGUAOFWGYSSJ-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001446701425 929302971 /nfs/dbraw/zinc/30/29/71/929302971.db2.gz REOGUAOFWGYSSJ-OLZOCXBDSA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001446701432 929303771 /nfs/dbraw/zinc/30/37/71/929303771.db2.gz REOGUAOFWGYSSJ-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001446701432 929303785 /nfs/dbraw/zinc/30/37/85/929303785.db2.gz REOGUAOFWGYSSJ-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(N)=O ZINC001448013466 929422949 /nfs/dbraw/zinc/42/29/49/929422949.db2.gz FPOVYDUWQDXVRO-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC(N)=O ZINC001448013466 929422961 /nfs/dbraw/zinc/42/29/61/929422961.db2.gz FPOVYDUWQDXVRO-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001448013466 929422972 /nfs/dbraw/zinc/42/29/72/929422972.db2.gz FPOVYDUWQDXVRO-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001448013466 929422981 /nfs/dbraw/zinc/42/29/81/929422981.db2.gz FPOVYDUWQDXVRO-HBNTYKKESA-N 2 1 313.402 -1.042 20 0 DAADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448853483 929495744 /nfs/dbraw/zinc/49/57/44/929495744.db2.gz BWTQTZPKMVUHSY-NWDGAFQWSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448853483 929495751 /nfs/dbraw/zinc/49/57/51/929495751.db2.gz BWTQTZPKMVUHSY-NWDGAFQWSA-N 2 1 300.403 -1.341 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448860379 929497861 /nfs/dbraw/zinc/49/78/61/929497861.db2.gz HKBVKEWMVJVOIC-NWDGAFQWSA-N 2 1 312.414 -1.184 20 0 DAADMP C[C@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913138 929513951 /nfs/dbraw/zinc/51/39/51/929513951.db2.gz VMLUCLWQGKQLBT-QWRGUYRKSA-N 2 1 302.419 -1.095 20 0 DAADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913124 929514146 /nfs/dbraw/zinc/51/41/46/929514146.db2.gz VMLUCLWQGKQLBT-GHMZBOCLSA-N 2 1 302.419 -1.095 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915313 929514737 /nfs/dbraw/zinc/51/47/37/929514737.db2.gz YRMUSBVHMSVMDL-VHSXEESVSA-N 2 1 315.374 -2.410 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001448915313 929514744 /nfs/dbraw/zinc/51/47/44/929514744.db2.gz YRMUSBVHMSVMDL-VHSXEESVSA-N 2 1 315.374 -2.410 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001448945945 929522115 /nfs/dbraw/zinc/52/21/15/929522115.db2.gz BPDPNHPDKANMMJ-SNVBAGLBSA-N 2 1 317.390 -2.151 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001448953157 929524574 /nfs/dbraw/zinc/52/45/74/929524574.db2.gz VFSDOTAGKHEXCW-NXEZZACHSA-N 2 1 317.390 -2.023 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001449135494 929549266 /nfs/dbraw/zinc/54/92/66/929549266.db2.gz GIWLZLJUSGVUQF-VXGBXAGGSA-N 2 1 309.370 -1.511 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[NH+]1CCCC1 ZINC001449196894 929566847 /nfs/dbraw/zinc/56/68/47/929566847.db2.gz URHMGLFABSNUCB-ZDUSSCGKSA-N 2 1 310.402 -1.180 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCO)C1 ZINC001449238350 929572481 /nfs/dbraw/zinc/57/24/81/929572481.db2.gz WVEQAFIOSUSGAT-ZIAGYGMSSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCCO)C1 ZINC001449238350 929572485 /nfs/dbraw/zinc/57/24/85/929572485.db2.gz WVEQAFIOSUSGAT-ZIAGYGMSSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)C1 ZINC001449238350 929572489 /nfs/dbraw/zinc/57/24/89/929572489.db2.gz WVEQAFIOSUSGAT-ZIAGYGMSSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238350 929572493 /nfs/dbraw/zinc/57/24/93/929572493.db2.gz WVEQAFIOSUSGAT-ZIAGYGMSSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO)C1 ZINC001449238338 929573146 /nfs/dbraw/zinc/57/31/46/929573146.db2.gz WVEQAFIOSUSGAT-KBPBESRZSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO)C1 ZINC001449238338 929573157 /nfs/dbraw/zinc/57/31/57/929573157.db2.gz WVEQAFIOSUSGAT-KBPBESRZSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)C1 ZINC001449238338 929573165 /nfs/dbraw/zinc/57/31/65/929573165.db2.gz WVEQAFIOSUSGAT-KBPBESRZSA-N 2 1 317.430 -1.159 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238338 929573178 /nfs/dbraw/zinc/57/31/78/929573178.db2.gz WVEQAFIOSUSGAT-KBPBESRZSA-N 2 1 317.430 -1.159 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449250294 929575507 /nfs/dbraw/zinc/57/55/07/929575507.db2.gz WMHVMPHJEVCRGL-ZIAGYGMSSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449250294 929575513 /nfs/dbraw/zinc/57/55/13/929575513.db2.gz WMHVMPHJEVCRGL-ZIAGYGMSSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449250294 929575523 /nfs/dbraw/zinc/57/55/23/929575523.db2.gz WMHVMPHJEVCRGL-ZIAGYGMSSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449250290 929576905 /nfs/dbraw/zinc/57/69/05/929576905.db2.gz WMHVMPHJEVCRGL-UONOGXRCSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449250290 929576912 /nfs/dbraw/zinc/57/69/12/929576912.db2.gz WMHVMPHJEVCRGL-UONOGXRCSA-N 2 1 324.429 -1.019 20 0 DAADMP CN(C[C@H](O)C[NH+](C)CCn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449250290 929576922 /nfs/dbraw/zinc/57/69/22/929576922.db2.gz WMHVMPHJEVCRGL-UONOGXRCSA-N 2 1 324.429 -1.019 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001521504478 929663769 /nfs/dbraw/zinc/66/37/69/929663769.db2.gz VAMNSDODQCNPNO-STQMWFEESA-N 2 1 311.430 -1.454 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001522872276 929709890 /nfs/dbraw/zinc/70/98/90/929709890.db2.gz XFKIMFMEFRDCND-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001522872276 929709899 /nfs/dbraw/zinc/70/98/99/929709899.db2.gz XFKIMFMEFRDCND-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001522872276 929709910 /nfs/dbraw/zinc/70/99/10/929709910.db2.gz XFKIMFMEFRDCND-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001522872276 929709916 /nfs/dbraw/zinc/70/99/16/929709916.db2.gz XFKIMFMEFRDCND-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548557352 930031459 /nfs/dbraw/zinc/03/14/59/930031459.db2.gz LHVBUOJGLNOSCL-STQMWFEESA-N 2 1 309.414 -1.687 20 0 DAADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548556966 930031709 /nfs/dbraw/zinc/03/17/09/930031709.db2.gz HVUHNKAQKAZALR-XJKSGUPXSA-N 2 1 324.425 -1.086 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625642 930033883 /nfs/dbraw/zinc/03/38/83/930033883.db2.gz VSGQIWHKYXYAQE-JSGCOSHPSA-N 2 1 323.441 -1.299 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625642 930033894 /nfs/dbraw/zinc/03/38/94/930033894.db2.gz VSGQIWHKYXYAQE-JSGCOSHPSA-N 2 1 323.441 -1.299 20 0 DAADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646956 930034786 /nfs/dbraw/zinc/03/47/86/930034786.db2.gz LNCFASCZRZICQI-UONOGXRCSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646956 930034797 /nfs/dbraw/zinc/03/47/97/930034797.db2.gz LNCFASCZRZICQI-UONOGXRCSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646955 930036106 /nfs/dbraw/zinc/03/61/06/930036106.db2.gz LNCFASCZRZICQI-KGLIPLIRSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646955 930036115 /nfs/dbraw/zinc/03/61/15/930036115.db2.gz LNCFASCZRZICQI-KGLIPLIRSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548724601 930039161 /nfs/dbraw/zinc/03/91/61/930039161.db2.gz QHROGHMQMOSPSL-MGPQQGTHSA-N 2 1 323.441 -1.047 20 0 DAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548724592 930040533 /nfs/dbraw/zinc/04/05/33/930040533.db2.gz QHROGHMQMOSPSL-HZSPNIEDSA-N 2 1 323.441 -1.047 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC001548700841 930041206 /nfs/dbraw/zinc/04/12/06/930041206.db2.gz DQWFYGLKMJVAOG-QLFBSQMISA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC001548700841 930041217 /nfs/dbraw/zinc/04/12/17/930041217.db2.gz DQWFYGLKMJVAOG-QLFBSQMISA-N 2 1 307.442 -1.119 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC001548700841 930041222 /nfs/dbraw/zinc/04/12/22/930041222.db2.gz DQWFYGLKMJVAOG-QLFBSQMISA-N 2 1 307.442 -1.119 20 0 DAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001549044657 930046625 /nfs/dbraw/zinc/04/66/25/930046625.db2.gz GWOKROTWWYCAGT-NWDGAFQWSA-N 2 1 320.397 -1.239 20 0 DAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001549045393 930047126 /nfs/dbraw/zinc/04/71/26/930047126.db2.gz VPRJRBPTUYSGAD-DGCLKSJQSA-N 2 1 322.413 -1.008 20 0 DAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001549044654 930048476 /nfs/dbraw/zinc/04/84/76/930048476.db2.gz GWOKROTWWYCAGT-NEPJUHHUSA-N 2 1 320.397 -1.239 20 0 DAADMP C[NH+](C)[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1n1ccnn1 ZINC001549714458 930058746 /nfs/dbraw/zinc/05/87/46/930058746.db2.gz MFOKSISXSGHPKU-ZIAGYGMSSA-N 2 1 321.429 -1.161 20 0 DAADMP CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2 ZINC001551410447 930064550 /nfs/dbraw/zinc/06/45/50/930064550.db2.gz QFDNNLBDFOADCZ-DOMZBBRYSA-N 2 1 310.398 -1.497 20 0 DAADMP CNC(=O)[C@@]12C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2 ZINC001551411992 930067397 /nfs/dbraw/zinc/06/73/97/930067397.db2.gz UUZPEMRMRNMRLO-BBRMVZONSA-N 2 1 324.425 -1.107 20 0 DAADMP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC001552086635 930069363 /nfs/dbraw/zinc/06/93/63/930069363.db2.gz OLGAJYQJGIXKGK-AAEUAGOBSA-N 2 1 308.386 -1.246 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412566 930076673 /nfs/dbraw/zinc/07/66/73/930076673.db2.gz VEMGDQVLXMBGQU-RWMBFGLXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CCN1 ZINC000662953183 545649795 /nfs/dbraw/zinc/64/97/95/545649795.db2.gz LFQZNKZILRKWLX-CHWSQXEVSA-N 2 1 310.398 -1.260 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000351553050 545722618 /nfs/dbraw/zinc/72/26/18/545722618.db2.gz CWVDLUMAPDFNJM-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000351553287 545722663 /nfs/dbraw/zinc/72/26/63/545722663.db2.gz AOVZWQJLBKYYRZ-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659641528 545733922 /nfs/dbraw/zinc/73/39/22/545733922.db2.gz GTGLQSCRXRDSCQ-JTQLQIEISA-N 2 1 319.431 -1.777 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188719837 200292875 /nfs/dbraw/zinc/29/28/75/200292875.db2.gz YMJRXZJYMCSJTH-UHFFFAOYSA-N 2 1 320.397 -1.051 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161479 781949637 /nfs/dbraw/zinc/94/96/37/781949637.db2.gz IYRLCSJGMGZDKB-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161479 781949649 /nfs/dbraw/zinc/94/96/49/781949649.db2.gz IYRLCSJGMGZDKB-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1C ZINC000423672377 545772184 /nfs/dbraw/zinc/77/21/84/545772184.db2.gz YDNAHPQSKURJHA-XQQFMLRXSA-N 2 1 312.414 -1.424 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1C ZINC000423672377 545772190 /nfs/dbraw/zinc/77/21/90/545772190.db2.gz YDNAHPQSKURJHA-XQQFMLRXSA-N 2 1 312.414 -1.424 20 0 DAADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424036683 545776371 /nfs/dbraw/zinc/77/63/71/545776371.db2.gz FIPDYOFJRPUUJA-NXEZZACHSA-N 2 1 304.416 -1.585 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000643577494 372768859 /nfs/dbraw/zinc/76/88/59/372768859.db2.gz LGBZSLRFWONBMN-GFCCVEGCSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000643577494 372768867 /nfs/dbraw/zinc/76/88/67/372768867.db2.gz LGBZSLRFWONBMN-GFCCVEGCSA-N 2 1 312.414 -1.278 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000625483715 372821571 /nfs/dbraw/zinc/82/15/71/372821571.db2.gz UMFFZYIFANDNQM-UHFFFAOYSA-N 2 1 309.370 -1.244 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000642785674 372809412 /nfs/dbraw/zinc/80/94/12/372809412.db2.gz CRMXVKJDJANNPW-KBPBESRZSA-N 2 1 323.441 -1.312 20 0 DAADMP COCC[N@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC000632254865 372836494 /nfs/dbraw/zinc/83/64/94/372836494.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 1 321.443 -1.043 20 0 DAADMP COCCN1CC[C@@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC000632254865 372836500 /nfs/dbraw/zinc/83/65/00/372836500.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 1 321.443 -1.043 20 0 DAADMP CN1CCO[C@H](CS(=O)(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000632259495 372840060 /nfs/dbraw/zinc/84/00/60/372840060.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 1 321.443 -1.041 20 0 DAADMP CN1CCO[C@H](CS(=O)(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000632259495 372840064 /nfs/dbraw/zinc/84/00/64/372840064.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 1 321.443 -1.041 20 0 DAADMP CC(C)C[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000040824733 372847069 /nfs/dbraw/zinc/84/70/69/372847069.db2.gz MPHJSIWIAPRJRC-LBPRGKRZSA-N 2 1 300.403 -1.076 20 0 DAADMP CC(C)C[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000040824735 372848062 /nfs/dbraw/zinc/84/80/62/372848062.db2.gz MPHJSIWIAPRJRC-GFCCVEGCSA-N 2 1 300.403 -1.076 20 0 DAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C1 ZINC000642925086 372863895 /nfs/dbraw/zinc/86/38/95/372863895.db2.gz YPLHAEMTHWZIDS-CYBMUJFWSA-N 2 1 309.414 -1.687 20 0 DAADMP CN(CC(=O)N(C)Cc1cnn(C)c1)CC(=O)N1CCNCC1 ZINC000583444355 372870042 /nfs/dbraw/zinc/87/00/42/372870042.db2.gz XICSTGJPTFHSGE-UHFFFAOYSA-N 2 1 322.413 -1.258 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627365691 372916212 /nfs/dbraw/zinc/91/62/12/372916212.db2.gz WTMWLVDOORPLJW-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000575160352 372921522 /nfs/dbraw/zinc/92/15/22/372921522.db2.gz YLCFABZJAGJQRX-MJBXVCDLSA-N 2 1 323.441 -1.169 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000601344200 372940380 /nfs/dbraw/zinc/94/03/80/372940380.db2.gz VFPVOUMHJFGRJO-MNOVXSKESA-N 2 1 321.399 -1.859 20 0 DAADMP C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000601343810 372940464 /nfs/dbraw/zinc/94/04/64/372940464.db2.gz ROGFHTJGXGOYIL-QWRGUYRKSA-N 2 1 316.427 -1.346 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000602515796 373063556 /nfs/dbraw/zinc/06/35/56/373063556.db2.gz ZTQQSVRVNDOTJG-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000602515796 373063564 /nfs/dbraw/zinc/06/35/64/373063564.db2.gz ZTQQSVRVNDOTJG-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@@H](O)C[NH3+])c(=O)n2C ZINC000563216339 373114060 /nfs/dbraw/zinc/11/40/60/373114060.db2.gz YXTZEWNEDRENSW-JTQLQIEISA-N 2 1 324.385 -1.925 20 0 DAADMP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000563619781 373139725 /nfs/dbraw/zinc/13/97/25/373139725.db2.gz HDRWHEHNSNUMNK-QWRGUYRKSA-N 2 1 314.386 -1.420 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000571185375 373142569 /nfs/dbraw/zinc/14/25/69/373142569.db2.gz FHQFDAYWTIJONL-URBCHYCLSA-N 2 1 310.398 -1.481 20 0 DAADMP C[C@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[NH2+]CCO1 ZINC000638175350 373210475 /nfs/dbraw/zinc/21/04/75/373210475.db2.gz ZGDPWNQMHQZCBD-SWLSCSKDSA-N 2 1 310.398 -1.212 20 0 DAADMP C[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[NH2+]CCO1 ZINC000638175348 373212616 /nfs/dbraw/zinc/21/26/16/373212616.db2.gz ZGDPWNQMHQZCBD-DOMZBBRYSA-N 2 1 310.398 -1.212 20 0 DAADMP [NH3+][C@@H]1CC=C(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349087 373214433 /nfs/dbraw/zinc/21/44/33/373214433.db2.gz GKEJYVDVQJIVTR-LLVKDONJSA-N 2 1 314.411 -1.520 20 0 DAADMP [NH3+][C@H]1CC=C(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349088 373214600 /nfs/dbraw/zinc/21/46/00/373214600.db2.gz GKEJYVDVQJIVTR-NSHDSACASA-N 2 1 314.411 -1.520 20 0 DAADMP [NH3+]CCCOCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000627487157 373236244 /nfs/dbraw/zinc/23/62/44/373236244.db2.gz VYUZIWREVLPPBK-UHFFFAOYSA-N 2 1 318.443 -1.367 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1CC(=O)NC1=O ZINC000617505960 373264471 /nfs/dbraw/zinc/26/44/71/373264471.db2.gz WIXIUSCXHMIPLK-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1CC(=O)NC1=O ZINC000617505960 373264478 /nfs/dbraw/zinc/26/44/78/373264478.db2.gz WIXIUSCXHMIPLK-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP COCC[N@H+](C)C[C@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051505 373310450 /nfs/dbraw/zinc/31/04/50/373310450.db2.gz OUCQNEFHZJMEDR-AWEZNQCLSA-N 2 1 316.446 -1.369 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051505 373310454 /nfs/dbraw/zinc/31/04/54/373310454.db2.gz OUCQNEFHZJMEDR-AWEZNQCLSA-N 2 1 316.446 -1.369 20 0 DAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000633116141 373314764 /nfs/dbraw/zinc/31/47/64/373314764.db2.gz PJSFCIQJSHOKAC-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000633146657 373318158 /nfs/dbraw/zinc/31/81/58/373318158.db2.gz PSGZFGJEXAYETI-WUHRBBMRSA-N 2 1 312.414 -1.152 20 0 DAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000633146657 373318161 /nfs/dbraw/zinc/31/81/61/373318161.db2.gz PSGZFGJEXAYETI-WUHRBBMRSA-N 2 1 312.414 -1.152 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262322816 373334904 /nfs/dbraw/zinc/33/49/04/373334904.db2.gz FLYOPYRBAPYQTR-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CC(C)(C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424047209 373348248 /nfs/dbraw/zinc/34/82/48/373348248.db2.gz WWRXQFPZWKZEBK-UHFFFAOYSA-N 2 1 304.416 -1.583 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423539520 373348780 /nfs/dbraw/zinc/34/87/80/373348780.db2.gz OVYZLDWYJBHGGY-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423539520 373348791 /nfs/dbraw/zinc/34/87/91/373348791.db2.gz OVYZLDWYJBHGGY-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544019 373359160 /nfs/dbraw/zinc/35/91/60/373359160.db2.gz VFSWUKZZWSGQQT-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544019 373359166 /nfs/dbraw/zinc/35/91/66/373359166.db2.gz VFSWUKZZWSGQQT-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544019 373359168 /nfs/dbraw/zinc/35/91/68/373359168.db2.gz VFSWUKZZWSGQQT-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000629805357 373409026 /nfs/dbraw/zinc/40/90/26/373409026.db2.gz YNACDKXILMMJCY-STQMWFEESA-N 2 1 312.414 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000629809582 373411131 /nfs/dbraw/zinc/41/11/31/373411131.db2.gz SCCLYJXRIQARGC-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000629809581 373411366 /nfs/dbraw/zinc/41/13/66/373411366.db2.gz SCCLYJXRIQARGC-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1=O ZINC000629913581 373413955 /nfs/dbraw/zinc/41/39/55/373413955.db2.gz LLISRGCUCCIGHN-STQMWFEESA-N 2 1 312.414 -1.421 20 0 DAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629820436 373414011 /nfs/dbraw/zinc/41/40/11/373414011.db2.gz XGQMGBXKDCHISR-UHFFFAOYSA-N 2 1 300.403 -1.027 20 0 DAADMP COCC[C@@H]([NH3+])Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837939 373418488 /nfs/dbraw/zinc/41/84/88/373418488.db2.gz ZQUAAOMGIUAQEY-GFCCVEGCSA-N 2 1 310.402 -1.042 20 0 DAADMP Cn1c2ncn(CC[N@@H+](C)CCOCC[NH3+])c2c(=O)n(C)c1=O ZINC000629577967 373399482 /nfs/dbraw/zinc/39/94/82/373399482.db2.gz MBZSWZOIUVPCOE-UHFFFAOYSA-N 2 1 324.385 -1.659 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000578738756 373583786 /nfs/dbraw/zinc/58/37/86/373583786.db2.gz SQGYBCZVWWPVIY-DGAVXFQQSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC000578738756 373583793 /nfs/dbraw/zinc/58/37/93/373583793.db2.gz SQGYBCZVWWPVIY-DGAVXFQQSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000578738758 373584866 /nfs/dbraw/zinc/58/48/66/373584866.db2.gz SQGYBCZVWWPVIY-RQJABVFESA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000578738758 373584876 /nfs/dbraw/zinc/58/48/76/373584876.db2.gz SQGYBCZVWWPVIY-RQJABVFESA-N 2 1 324.425 -1.280 20 0 DAADMP CC(C)[NH2+]CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579351989 373590386 /nfs/dbraw/zinc/59/03/86/373590386.db2.gz JOIHSPNBBAGKFO-UHFFFAOYSA-N 2 1 318.443 -1.180 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568235193 373541879 /nfs/dbraw/zinc/54/18/79/373541879.db2.gz JPUJRKFCQLNKQI-CYBMUJFWSA-N 2 1 313.446 -1.064 20 0 DAADMP CCN1CC[NH+](CCC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000572963652 373551051 /nfs/dbraw/zinc/55/10/51/373551051.db2.gz KRQAKCADFRIDCP-UHFFFAOYSA-N 2 1 311.430 -1.438 20 0 DAADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574452542 373560726 /nfs/dbraw/zinc/56/07/26/373560726.db2.gz BRCKSQXHUBIJEO-LLVKDONJSA-N 2 1 304.416 -1.439 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000574414498 373562468 /nfs/dbraw/zinc/56/24/68/373562468.db2.gz WCLKIHSKPZANOS-LBPRGKRZSA-N 2 1 300.403 -1.122 20 0 DAADMP O=C(C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000575987237 373566861 /nfs/dbraw/zinc/56/68/61/373566861.db2.gz IWTXRWNGMNMBOF-UHFFFAOYSA-N 2 1 316.427 -1.568 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC000576714105 373570250 /nfs/dbraw/zinc/57/02/50/373570250.db2.gz MRDOOOWHUFNJSQ-GFCCVEGCSA-N 2 1 304.387 -1.075 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC000576714111 373571440 /nfs/dbraw/zinc/57/14/40/373571440.db2.gz MRDOOOWHUFNJSQ-LBPRGKRZSA-N 2 1 304.387 -1.075 20 0 DAADMP [NH3+]CC(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580645785 373573532 /nfs/dbraw/zinc/57/35/32/373573532.db2.gz ZFVGCRMPPXLBEW-UHFFFAOYSA-N 2 1 319.387 -3.493 20 0 DAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000577047953 373575141 /nfs/dbraw/zinc/57/51/41/373575141.db2.gz ACYSOFVYANFYQG-CQSZACIVSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000627294958 373632869 /nfs/dbraw/zinc/63/28/69/373632869.db2.gz PUBKOMCGWBCADL-GXSJLCMTSA-N 2 1 308.386 -1.031 20 0 DAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000627353337 373658078 /nfs/dbraw/zinc/65/80/78/373658078.db2.gz ZLWFUHUTIPMXTA-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621839287 373649385 /nfs/dbraw/zinc/64/93/85/373649385.db2.gz QNJMUNDZEXXMMU-WOSRLPQWSA-N 2 1 323.441 -1.312 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCOCC1 ZINC000627346614 373654112 /nfs/dbraw/zinc/65/41/12/373654112.db2.gz YAVKIKZRUNWMCF-RWMBFGLXSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627349672 373655162 /nfs/dbraw/zinc/65/51/62/373655162.db2.gz VVLVGOCLHQWPQO-WZRBSPASSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627349670 373655872 /nfs/dbraw/zinc/65/58/72/373655872.db2.gz VVLVGOCLHQWPQO-NQBHXWOUSA-N 2 1 310.398 -1.310 20 0 DAADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000581653035 373602345 /nfs/dbraw/zinc/60/23/45/373602345.db2.gz CKUMHGCBVFAIHP-MELADBBJSA-N 2 1 324.425 -1.062 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000627349262 373656008 /nfs/dbraw/zinc/65/60/08/373656008.db2.gz HZVGQJTXMAYYLL-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP CN(C(=O)C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000581825331 373604828 /nfs/dbraw/zinc/60/48/28/373604828.db2.gz QEYOGCWYMPCDAI-UHFFFAOYSA-N 2 1 311.430 -1.358 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000627349263 373656231 /nfs/dbraw/zinc/65/62/31/373656231.db2.gz HZVGQJTXMAYYLL-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000627349261 373656856 /nfs/dbraw/zinc/65/68/56/373656856.db2.gz HZVGQJTXMAYYLL-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627356061 373669895 /nfs/dbraw/zinc/66/98/95/373669895.db2.gz XRSKQDZPYYZIHJ-NEPJUHHUSA-N 2 1 316.402 -1.745 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627356061 373669902 /nfs/dbraw/zinc/66/99/02/373669902.db2.gz XRSKQDZPYYZIHJ-NEPJUHHUSA-N 2 1 316.402 -1.745 20 0 DAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627357847 373670703 /nfs/dbraw/zinc/67/07/03/373670703.db2.gz SFLKSILMRYXMJG-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000627356062 373671857 /nfs/dbraw/zinc/67/18/57/373671857.db2.gz XRSKQDZPYYZIHJ-NWDGAFQWSA-N 2 1 316.402 -1.745 20 0 DAADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000627356062 373671868 /nfs/dbraw/zinc/67/18/68/373671868.db2.gz XRSKQDZPYYZIHJ-NWDGAFQWSA-N 2 1 316.402 -1.745 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000627461808 373677486 /nfs/dbraw/zinc/67/74/86/373677486.db2.gz ZVNBJIOSVLMLHB-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627464241 373679928 /nfs/dbraw/zinc/67/99/28/373679928.db2.gz VLURXVZTEVOGON-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473378 373682480 /nfs/dbraw/zinc/68/24/80/373682480.db2.gz MHOKKXJJHSWCPJ-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475678 373683853 /nfs/dbraw/zinc/68/38/53/373683853.db2.gz RYDBCKSIWMXRKY-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476480 373684682 /nfs/dbraw/zinc/68/46/82/373684682.db2.gz GBUAMHWEPBHBMK-MROQNXINSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000631840736 373698848 /nfs/dbraw/zinc/69/88/48/373698848.db2.gz VBDGWOWOPPYJPJ-GHMZBOCLSA-N 2 1 320.397 -1.040 20 0 DAADMP CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631901628 373699214 /nfs/dbraw/zinc/69/92/14/373699214.db2.gz JRUMSCLKMGMCES-UHFFFAOYSA-N 2 1 318.443 -1.226 20 0 DAADMP COCCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631923557 373701977 /nfs/dbraw/zinc/70/19/77/373701977.db2.gz VZOQWMAGZPICHK-GFCCVEGCSA-N 2 1 309.432 -1.138 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098978 373728987 /nfs/dbraw/zinc/72/89/87/373728987.db2.gz HIWLLVVGOAZHOP-AGIUHOORSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098978 373728994 /nfs/dbraw/zinc/72/89/94/373728994.db2.gz HIWLLVVGOAZHOP-AGIUHOORSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000633111445 373730733 /nfs/dbraw/zinc/73/07/33/373730733.db2.gz QDQSIMYCYDUQEX-FVCCEPFGSA-N 2 1 310.398 -1.683 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000633116138 373731245 /nfs/dbraw/zinc/73/12/45/373731245.db2.gz PJSFCIQJSHOKAC-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[N@H+]1CCO ZINC000633113105 373731329 /nfs/dbraw/zinc/73/13/29/373731329.db2.gz CIXOFGPYJXWVCA-KPWCQOOUSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[N@@H+]1CCO ZINC000633113105 373731332 /nfs/dbraw/zinc/73/13/32/373731332.db2.gz CIXOFGPYJXWVCA-KPWCQOOUSA-N 2 1 324.425 -1.137 20 0 DAADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102968 545815456 /nfs/dbraw/zinc/81/54/56/545815456.db2.gz RMZNBPYTJMUURU-FRRDWIJNSA-N 2 1 310.398 -1.396 20 0 DAADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463800 782005479 /nfs/dbraw/zinc/00/54/79/782005479.db2.gz YNEQLODIEDKJBP-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463800 782005490 /nfs/dbraw/zinc/00/54/90/782005490.db2.gz YNEQLODIEDKJBP-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653114777 409328554 /nfs/dbraw/zinc/32/85/54/409328554.db2.gz WGLFCCFVSOAYFE-XEZPLFJOSA-N 2 1 324.425 -1.074 20 0 DAADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092173 409328773 /nfs/dbraw/zinc/32/87/73/409328773.db2.gz NXQBJTPREZCPIZ-NSHDSACASA-N 2 1 316.427 -1.568 20 0 DAADMP [NH3+]CCOCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092184 409328297 /nfs/dbraw/zinc/32/82/97/409328297.db2.gz QRCSVGBCDBCLIW-UHFFFAOYSA-N 2 1 306.388 -2.593 20 0 DAADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647885647 409400575 /nfs/dbraw/zinc/40/05/75/409400575.db2.gz AQRMNMMUJYSSFF-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647877615 409400724 /nfs/dbraw/zinc/40/07/24/409400724.db2.gz WZRFFVCPYAAZHR-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178274 409342664 /nfs/dbraw/zinc/34/26/64/409342664.db2.gz KVBUROQBCZIZTC-GXSJLCMTSA-N 2 1 318.399 -2.845 20 0 DAADMP CC(C)([NH3+])CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178241 409343449 /nfs/dbraw/zinc/34/34/49/409343449.db2.gz HZEPBAYRVBJUPM-UHFFFAOYSA-N 2 1 318.443 -1.050 20 0 DAADMP CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000647891556 409402168 /nfs/dbraw/zinc/40/21/68/409402168.db2.gz PVUGWONISFOYJK-GFCCVEGCSA-N 2 1 323.397 -1.223 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652735552 409406696 /nfs/dbraw/zinc/40/66/96/409406696.db2.gz NEWZKVMSGFETAM-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652735552 409406703 /nfs/dbraw/zinc/40/67/03/409406703.db2.gz NEWZKVMSGFETAM-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000330441742 409418532 /nfs/dbraw/zinc/41/85/32/409418532.db2.gz SKPFXUDECUKDQZ-GFCCVEGCSA-N 2 1 318.443 -1.097 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000330441742 409418537 /nfs/dbraw/zinc/41/85/37/409418537.db2.gz SKPFXUDECUKDQZ-GFCCVEGCSA-N 2 1 318.443 -1.097 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(C)CC2)[N@@H+](C)C1 ZINC000330589135 409421988 /nfs/dbraw/zinc/42/19/88/409421988.db2.gz ZIYDKDONTWSBHB-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCCS1(=O)=O ZINC000647995282 409427051 /nfs/dbraw/zinc/42/70/51/409427051.db2.gz LRNHJUAJPBSRCU-UHFFFAOYSA-N 2 1 318.443 -1.224 20 0 DAADMP CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000347973344 409449154 /nfs/dbraw/zinc/44/91/54/409449154.db2.gz UGWHIUHBOGJUDS-CYBMUJFWSA-N 2 1 311.430 -1.488 20 0 DAADMP CN(CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@@H]1O ZINC000352799734 409472805 /nfs/dbraw/zinc/47/28/05/409472805.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 2 1 316.398 -1.614 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354695856 409480634 /nfs/dbraw/zinc/48/06/34/409480634.db2.gz RUOJAOQFZIZDSP-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000355151329 409482542 /nfs/dbraw/zinc/48/25/42/409482542.db2.gz SUXKXFXOIIZJLO-TZMCWYRMSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355151329 409482547 /nfs/dbraw/zinc/48/25/47/409482547.db2.gz SUXKXFXOIIZJLO-TZMCWYRMSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355151329 409482555 /nfs/dbraw/zinc/48/25/55/409482555.db2.gz SUXKXFXOIIZJLO-TZMCWYRMSA-N 2 1 323.441 -1.299 20 0 DAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355302976 409483318 /nfs/dbraw/zinc/48/33/18/409483318.db2.gz WJFUPJGWFHHDRD-OLZOCXBDSA-N 2 1 313.446 -1.195 20 0 DAADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc[nH+]1 ZINC000357900636 409491928 /nfs/dbraw/zinc/49/19/28/409491928.db2.gz CCTZRTFVZQSCFF-NWDGAFQWSA-N 2 1 320.397 -1.086 20 0 DAADMP CC1(OCC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[NH2+]C1 ZINC000648110815 409493552 /nfs/dbraw/zinc/49/35/52/409493552.db2.gz RUTSDJTZUWIAEY-GFCCVEGCSA-N 2 1 310.398 -1.212 20 0 DAADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643328 409567490 /nfs/dbraw/zinc/56/74/90/409567490.db2.gz XFNFNPGJJBBQHJ-LLVKDONJSA-N 2 1 306.432 -1.287 20 0 DAADMP C[C@]1(C(N)=O)CC[NH+](CC(O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556031 409511080 /nfs/dbraw/zinc/51/10/80/409511080.db2.gz DTAZAAUUSUNNGZ-GJZGRUSLSA-N 2 1 312.414 -1.258 20 0 DAADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000370293406 409513165 /nfs/dbraw/zinc/51/31/65/409513165.db2.gz FRWIUXNFLWJSST-UPJWGTAASA-N 2 1 310.398 -1.085 20 0 DAADMP O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372357009 409515019 /nfs/dbraw/zinc/51/50/19/409515019.db2.gz NSZVJYONNJWQRN-KBPBESRZSA-N 2 1 312.414 -1.814 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698372 409519726 /nfs/dbraw/zinc/51/97/26/409519726.db2.gz KATVRQCXZNKSIV-UHFFFAOYSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[NH2+]CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418314481 409524518 /nfs/dbraw/zinc/52/45/18/409524518.db2.gz DZMKWVHKVVWIGG-UHFFFAOYSA-N 2 1 319.431 -1.775 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000659700933 409526673 /nfs/dbraw/zinc/52/66/73/409526673.db2.gz XBGABOBWUMABPD-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000659700925 409527187 /nfs/dbraw/zinc/52/71/87/409527187.db2.gz XBGABOBWUMABPD-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000659738184 409533763 /nfs/dbraw/zinc/53/37/63/409533763.db2.gz BEQLPUSKJBSGLM-QWHCGFSZSA-N 2 1 311.430 -1.312 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000419992888 409538052 /nfs/dbraw/zinc/53/80/52/409538052.db2.gz DCTGNRAGCIVEMZ-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000419992888 409538062 /nfs/dbraw/zinc/53/80/62/409538062.db2.gz DCTGNRAGCIVEMZ-MNOVXSKESA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189848 409540230 /nfs/dbraw/zinc/54/02/30/409540230.db2.gz FCUOYBXNQLJTKJ-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189848 409540243 /nfs/dbraw/zinc/54/02/43/409540243.db2.gz FCUOYBXNQLJTKJ-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000419987643 409540574 /nfs/dbraw/zinc/54/05/74/409540574.db2.gz YOQOAUONHRUTDV-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000419987643 409540585 /nfs/dbraw/zinc/54/05/85/409540585.db2.gz YOQOAUONHRUTDV-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423354172 409546872 /nfs/dbraw/zinc/54/68/72/409546872.db2.gz FOZVBZLVAOEHPN-CHWSQXEVSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423354172 409546879 /nfs/dbraw/zinc/54/68/79/409546879.db2.gz FOZVBZLVAOEHPN-CHWSQXEVSA-N 2 1 312.414 -1.029 20 0 DAADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000515059977 409549851 /nfs/dbraw/zinc/54/98/51/409549851.db2.gz AVXKLCGCYWBMRL-SECBINFHSA-N 2 1 323.397 -1.092 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778303 409623578 /nfs/dbraw/zinc/62/35/78/409623578.db2.gz SFOOPEQXOCVCMP-AWEZNQCLSA-N 2 1 316.446 -1.369 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778304 409625352 /nfs/dbraw/zinc/62/53/52/409625352.db2.gz SFOOPEQXOCVCMP-CQSZACIVSA-N 2 1 316.446 -1.369 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659711383 409694433 /nfs/dbraw/zinc/69/44/33/409694433.db2.gz XMAQBJCIDRMQJI-CYBMUJFWSA-N 2 1 311.430 -1.392 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000659736161 409696517 /nfs/dbraw/zinc/69/65/17/409696517.db2.gz ZOUNOGYYKFYMEG-NWDGAFQWSA-N 2 1 310.398 -1.349 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659755677 409696949 /nfs/dbraw/zinc/69/69/49/409696949.db2.gz KSBZLQIVPAESPH-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000659731503 409697200 /nfs/dbraw/zinc/69/72/00/409697200.db2.gz KTYJMACHAKPSNA-UONOGXRCSA-N 2 1 323.441 -1.297 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659755679 409697431 /nfs/dbraw/zinc/69/74/31/409697431.db2.gz KSBZLQIVPAESPH-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249690 409709414 /nfs/dbraw/zinc/70/94/14/409709414.db2.gz YCWHPWMIPMNCRJ-GFCCVEGCSA-N 2 1 318.443 -1.069 20 0 DAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249691 409710637 /nfs/dbraw/zinc/71/06/37/409710637.db2.gz YCWHPWMIPMNCRJ-LBPRGKRZSA-N 2 1 318.443 -1.069 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@H+](C)CCO1 ZINC000659696165 409688816 /nfs/dbraw/zinc/68/88/16/409688816.db2.gz JQQSKCLYSXLOKU-NGWKBDRKSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@@H+](C)CCO1 ZINC000659696165 409688826 /nfs/dbraw/zinc/68/88/26/409688826.db2.gz JQQSKCLYSXLOKU-NGWKBDRKSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@H+](C)CCO1 ZINC000659696162 409689458 /nfs/dbraw/zinc/68/94/58/409689458.db2.gz JQQSKCLYSXLOKU-AKUZOMFGSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000659696162 409689464 /nfs/dbraw/zinc/68/94/64/409689464.db2.gz JQQSKCLYSXLOKU-AKUZOMFGSA-N 2 1 310.398 -1.229 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000659688646 409689609 /nfs/dbraw/zinc/68/96/09/409689609.db2.gz DPTJCNWLWHWTCJ-LBPRGKRZSA-N 2 1 313.446 -1.147 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659707281 409689706 /nfs/dbraw/zinc/68/97/06/409689706.db2.gz UFPUTBYTLGTGPK-IJLUTSLNSA-N 2 1 316.377 -1.279 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000659709750 409689861 /nfs/dbraw/zinc/68/98/61/409689861.db2.gz LNSLBWDCNHTDHE-OLZOCXBDSA-N 2 1 313.446 -1.290 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000659709753 409690030 /nfs/dbraw/zinc/69/00/30/409690030.db2.gz LNSLBWDCNHTDHE-STQMWFEESA-N 2 1 313.446 -1.290 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659706097 409690060 /nfs/dbraw/zinc/69/00/60/409690060.db2.gz HDCSTWBWYKMROQ-UHFFFAOYSA-N 2 1 310.398 -1.307 20 0 DAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682656 409690341 /nfs/dbraw/zinc/69/03/41/409690341.db2.gz MVZQYYQAEFHURS-STQMWFEESA-N 2 1 323.441 -1.251 20 0 DAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682656 409690346 /nfs/dbraw/zinc/69/03/46/409690346.db2.gz MVZQYYQAEFHURS-STQMWFEESA-N 2 1 323.441 -1.251 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659695704 409690489 /nfs/dbraw/zinc/69/04/89/409690489.db2.gz DBJPZVZJUGLBPB-GHMZBOCLSA-N 2 1 304.366 -1.422 20 0 DAADMP CC[C@@H]([NH2+]C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662579054 409714173 /nfs/dbraw/zinc/71/41/73/409714173.db2.gz YFQKAZLBDNIITL-LLVKDONJSA-N 2 1 304.416 -1.570 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193781064 782015718 /nfs/dbraw/zinc/01/57/18/782015718.db2.gz IDMITAFFEPGDPY-MGPQQGTHSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193781064 782015730 /nfs/dbraw/zinc/01/57/30/782015730.db2.gz IDMITAFFEPGDPY-MGPQQGTHSA-N 2 1 315.414 -1.503 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766829 782016016 /nfs/dbraw/zinc/01/60/16/782016016.db2.gz YUQRVYWFUNFSSL-YNEHKIRRSA-N 2 1 315.414 -1.361 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001144 782027575 /nfs/dbraw/zinc/02/75/75/782027575.db2.gz FHEJARMWWIQSDS-GHMZBOCLSA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001144 782027583 /nfs/dbraw/zinc/02/75/83/782027583.db2.gz FHEJARMWWIQSDS-GHMZBOCLSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001144 782027591 /nfs/dbraw/zinc/02/75/91/782027591.db2.gz FHEJARMWWIQSDS-GHMZBOCLSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001144 782027598 /nfs/dbraw/zinc/02/75/98/782027598.db2.gz FHEJARMWWIQSDS-GHMZBOCLSA-N 2 1 311.386 -1.334 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001194095804 782028693 /nfs/dbraw/zinc/02/86/93/782028693.db2.gz RDGSAXKRDXQRSG-FDYHWXHSSA-N 2 1 303.403 -1.505 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001194244030 782032047 /nfs/dbraw/zinc/03/20/47/782032047.db2.gz IDTDPDUNAYLFHD-YNEHKIRRSA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001194244030 782032056 /nfs/dbraw/zinc/03/20/56/782032056.db2.gz IDTDPDUNAYLFHD-YNEHKIRRSA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001194244030 782032065 /nfs/dbraw/zinc/03/20/65/782032065.db2.gz IDTDPDUNAYLFHD-YNEHKIRRSA-N 2 1 317.430 -1.115 20 0 DAADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331995197 262515105 /nfs/dbraw/zinc/51/51/05/262515105.db2.gz PYQMIVFIEAEQFY-NXEZZACHSA-N 2 1 319.431 -1.649 20 0 DAADMP O=C(C[N@H+]1CCC[C@H](N2CCNCC2=O)C1)N1CCOCC1 ZINC000362827741 263229753 /nfs/dbraw/zinc/22/97/53/263229753.db2.gz UZQYZDJTHYDCRW-ZDUSSCGKSA-N 2 1 310.398 -1.259 20 0 DAADMP O=C(CC[N@@H+]1CCO[C@@H](Cn2cncn2)C1)N1CC[NH2+]CC1 ZINC000262148470 263229875 /nfs/dbraw/zinc/22/98/75/263229875.db2.gz PAFKAQXQWHPUGZ-CYBMUJFWSA-N 2 1 308.386 -1.199 20 0 DAADMP O=C(CC[N@H+]1CCO[C@@H](Cn2cncn2)C1)N1CC[NH2+]CC1 ZINC000262148470 263229878 /nfs/dbraw/zinc/22/98/78/263229878.db2.gz PAFKAQXQWHPUGZ-CYBMUJFWSA-N 2 1 308.386 -1.199 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000419306983 263230739 /nfs/dbraw/zinc/23/07/39/263230739.db2.gz ZGZHMIBGACITST-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423539529 263235922 /nfs/dbraw/zinc/23/59/22/263235922.db2.gz OVYZLDWYJBHGGY-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423539529 263235924 /nfs/dbraw/zinc/23/59/24/263235924.db2.gz OVYZLDWYJBHGGY-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000332177284 263240723 /nfs/dbraw/zinc/24/07/23/263240723.db2.gz UNBSZZOMEDOLEU-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424037715 263241459 /nfs/dbraw/zinc/24/14/59/263241459.db2.gz HDTPYWRZDWIACU-UHFFFAOYSA-N 2 1 318.443 -1.228 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424037715 263241460 /nfs/dbraw/zinc/24/14/60/263241460.db2.gz HDTPYWRZDWIACU-UHFFFAOYSA-N 2 1 318.443 -1.228 20 0 DAADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000419365425 263242809 /nfs/dbraw/zinc/24/28/09/263242809.db2.gz XKSBLMQYJGEOPS-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000424037841 263244650 /nfs/dbraw/zinc/24/46/50/263244650.db2.gz HOHXTTBTGCYETM-MFKMUULPSA-N 2 1 314.411 -1.816 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000332597785 263244838 /nfs/dbraw/zinc/24/48/38/263244838.db2.gz MMTQQPWEPGLVJS-QWHCGFSZSA-N 2 1 310.398 -1.131 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000332597785 263244841 /nfs/dbraw/zinc/24/48/41/263244841.db2.gz MMTQQPWEPGLVJS-QWHCGFSZSA-N 2 1 310.398 -1.131 20 0 DAADMP O=C([C@H]1C[NH2+]CCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046813 263247667 /nfs/dbraw/zinc/24/76/67/263247667.db2.gz WJMZYLYAXBQJHB-LLVKDONJSA-N 2 1 318.399 -2.579 20 0 DAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430965853 263250348 /nfs/dbraw/zinc/25/03/48/263250348.db2.gz LMQBVBREUVQFLU-ZDUSSCGKSA-N 2 1 311.430 -1.501 20 0 DAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430965853 263250349 /nfs/dbraw/zinc/25/03/49/263250349.db2.gz LMQBVBREUVQFLU-ZDUSSCGKSA-N 2 1 311.430 -1.501 20 0 DAADMP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H](C)[NH3+] ZINC000424036689 263258593 /nfs/dbraw/zinc/25/85/93/263258593.db2.gz FIPDYOFJRPUUJA-ZJUUUORDSA-N 2 1 304.416 -1.585 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000419987635 263260042 /nfs/dbraw/zinc/26/00/42/263260042.db2.gz YOQOAUONHRUTDV-AVGNSLFASA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000419987635 263260044 /nfs/dbraw/zinc/26/00/44/263260044.db2.gz YOQOAUONHRUTDV-AVGNSLFASA-N 2 1 314.430 -1.128 20 0 DAADMP CN(CCCS(=O)(=O)N(C)C)CC(=O)N1CCNCC1 ZINC000430604097 263261944 /nfs/dbraw/zinc/26/19/44/263261944.db2.gz LYBJYSAHERAXCX-UHFFFAOYSA-N 2 1 306.432 -1.369 20 0 DAADMP CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000408092415 263262013 /nfs/dbraw/zinc/26/20/13/263262013.db2.gz YEOOTSKGOYBQND-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000436063609 263262021 /nfs/dbraw/zinc/26/20/21/263262021.db2.gz UODOTMFQCRYKDC-NSHDSACASA-N 2 1 311.386 -1.142 20 0 DAADMP C[NH2+]C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430917439 263267493 /nfs/dbraw/zinc/26/74/93/263267493.db2.gz DGXAIAACBBSEGI-NSHDSACASA-N 2 1 320.397 -1.025 20 0 DAADMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430917439 263267494 /nfs/dbraw/zinc/26/74/94/263267494.db2.gz DGXAIAACBBSEGI-NSHDSACASA-N 2 1 320.397 -1.025 20 0 DAADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cc[nH+]1 ZINC000357900625 263276586 /nfs/dbraw/zinc/27/65/86/263276586.db2.gz CCTZRTFVZQSCFF-NEPJUHHUSA-N 2 1 320.397 -1.086 20 0 DAADMP CCN1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000347973345 263281127 /nfs/dbraw/zinc/28/11/27/263281127.db2.gz UGWHIUHBOGJUDS-ZDUSSCGKSA-N 2 1 311.430 -1.488 20 0 DAADMP CCN1CCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000347973345 263281129 /nfs/dbraw/zinc/28/11/29/263281129.db2.gz UGWHIUHBOGJUDS-ZDUSSCGKSA-N 2 1 311.430 -1.488 20 0 DAADMP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419694323 263282622 /nfs/dbraw/zinc/28/26/22/263282622.db2.gz KOGNFJUROAWGFN-XBFCOCLRSA-N 2 1 324.425 -1.089 20 0 DAADMP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615788 263282641 /nfs/dbraw/zinc/28/26/41/263282641.db2.gz DCRDFJJVBISMCK-NSHDSACASA-N 2 1 311.386 -1.285 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000362784210 263283208 /nfs/dbraw/zinc/28/32/08/263283208.db2.gz AOUDGWOASMGLIZ-STQMWFEESA-N 2 1 312.414 -1.251 20 0 DAADMP CNC(=O)[C@H](C)C[NH+](C)CC(O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000194601506 263288425 /nfs/dbraw/zinc/28/84/25/263288425.db2.gz LZYOVHCSMZWUDE-VXGBXAGGSA-N 2 1 316.446 -1.025 20 0 DAADMP CNC(=O)[C@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000194601506 263288427 /nfs/dbraw/zinc/28/84/27/263288427.db2.gz LZYOVHCSMZWUDE-VXGBXAGGSA-N 2 1 316.446 -1.025 20 0 DAADMP C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000514939723 263288739 /nfs/dbraw/zinc/28/87/39/263288739.db2.gz MEFBRUSVIMIBQL-ZDUSSCGKSA-N 2 1 316.427 -1.426 20 0 DAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355302978 263289429 /nfs/dbraw/zinc/28/94/29/263289429.db2.gz WJFUPJGWFHHDRD-STQMWFEESA-N 2 1 313.446 -1.195 20 0 DAADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000366993253 263297053 /nfs/dbraw/zinc/29/70/53/263297053.db2.gz BKSRYKVYPZCIEJ-LBPRGKRZSA-N 2 1 318.443 -1.097 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000366993253 263297054 /nfs/dbraw/zinc/29/70/54/263297054.db2.gz BKSRYKVYPZCIEJ-LBPRGKRZSA-N 2 1 318.443 -1.097 20 0 DAADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040116 263298000 /nfs/dbraw/zinc/29/80/00/263298000.db2.gz LBCRZMMHKBIQKE-PWSUYJOCSA-N 2 1 318.443 -1.194 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512169326 263300301 /nfs/dbraw/zinc/30/03/01/263300301.db2.gz XCKIXSRNFPTLRU-AAVRWANBSA-N 2 1 304.387 -1.614 20 0 DAADMP CN1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC000331702443 263300683 /nfs/dbraw/zinc/30/06/83/263300683.db2.gz FXAVBJBWPFFTLK-MGPQQGTHSA-N 2 1 324.425 -1.014 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835544 263310670 /nfs/dbraw/zinc/31/06/70/263310670.db2.gz AISWETNFBNYJPO-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424029077 263311545 /nfs/dbraw/zinc/31/15/45/263311545.db2.gz OVUCLXQPFNKFOS-LLVKDONJSA-N 2 1 304.416 -1.440 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357930966 263312883 /nfs/dbraw/zinc/31/28/83/263312883.db2.gz WCFORBFNTCSUGC-UPJWGTAASA-N 2 1 312.414 -1.232 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073638951 263313811 /nfs/dbraw/zinc/31/38/11/263313811.db2.gz QPEZKRKTTKCONQ-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH2+][C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331954480 263314898 /nfs/dbraw/zinc/31/48/98/263314898.db2.gz INRDGDVVAZMFAJ-SNVBAGLBSA-N 2 1 319.431 -1.777 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419352000 263319644 /nfs/dbraw/zinc/31/96/44/263319644.db2.gz IGRLPCFVIDQCAN-NEPJUHHUSA-N 2 1 300.403 -1.124 20 0 DAADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000419925724 263322947 /nfs/dbraw/zinc/32/29/47/263322947.db2.gz AKORVKZSLWOTBF-GFCCVEGCSA-N 2 1 314.430 -1.127 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419721353 263325018 /nfs/dbraw/zinc/32/50/18/263325018.db2.gz GWYTZNLYINARAY-CYBMUJFWSA-N 2 1 312.414 -1.101 20 0 DAADMP COCCN1CCN(C(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000423042608 263326917 /nfs/dbraw/zinc/32/69/17/263326917.db2.gz ZUGJNGLAMKQLFZ-UHFFFAOYSA-N 2 1 312.414 -1.013 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701914 782076338 /nfs/dbraw/zinc/07/63/38/782076338.db2.gz SYXKFLYFSKLWHQ-YNEHKIRRSA-N 2 1 303.403 -1.503 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195859403 782086260 /nfs/dbraw/zinc/08/62/60/782086260.db2.gz IPZOPTYGYVIXGA-CHWSQXEVSA-N 2 1 312.414 -1.374 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001195859403 782086266 /nfs/dbraw/zinc/08/62/66/782086266.db2.gz IPZOPTYGYVIXGA-CHWSQXEVSA-N 2 1 312.414 -1.374 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001195869874 782087210 /nfs/dbraw/zinc/08/72/10/782087210.db2.gz FNZRJDSYIKGJDP-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001195869874 782087219 /nfs/dbraw/zinc/08/72/19/782087219.db2.gz FNZRJDSYIKGJDP-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001195981220 782087931 /nfs/dbraw/zinc/08/79/31/782087931.db2.gz PLYSVXVXDQXSCM-MGPQQGTHSA-N 2 1 317.430 -1.257 20 0 DAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001195981220 782087941 /nfs/dbraw/zinc/08/79/41/782087941.db2.gz PLYSVXVXDQXSCM-MGPQQGTHSA-N 2 1 317.430 -1.257 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981291 782088693 /nfs/dbraw/zinc/08/86/93/782088693.db2.gz SXODHOSFOBTYGD-REWJHTLYSA-N 2 1 317.430 -1.259 20 0 DAADMP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000565304490 333217682 /nfs/dbraw/zinc/21/76/82/333217682.db2.gz SLXPUKULIDVURF-ZDUSSCGKSA-N 2 1 311.430 -1.488 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000582231683 336285974 /nfs/dbraw/zinc/28/59/74/336285974.db2.gz IYROZVDOQYXWKH-LBPRGKRZSA-N 2 1 323.397 -2.161 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582253065 336395446 /nfs/dbraw/zinc/39/54/46/336395446.db2.gz BWXPXRJUZDSPBD-NWDGAFQWSA-N 2 1 313.402 -1.482 20 0 DAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000582664006 337117776 /nfs/dbraw/zinc/11/77/76/337117776.db2.gz STYZZEMWWDBDMN-SNVBAGLBSA-N 2 1 300.359 -1.843 20 0 DAADMP O=C(CC[NH2+]C1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566571419 341562044 /nfs/dbraw/zinc/56/20/44/341562044.db2.gz APINRMKYHROMOI-UHFFFAOYSA-N 2 1 316.427 -1.426 20 0 DAADMP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954447 782117173 /nfs/dbraw/zinc/11/71/73/782117173.db2.gz XZOUTYJVFVRUJF-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954447 782117177 /nfs/dbraw/zinc/11/71/77/782117177.db2.gz XZOUTYJVFVRUJF-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001197493459 782134152 /nfs/dbraw/zinc/13/41/52/782134152.db2.gz OCPZIDNTAHVONB-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197493459 782134162 /nfs/dbraw/zinc/13/41/62/782134162.db2.gz OCPZIDNTAHVONB-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197493459 782134166 /nfs/dbraw/zinc/13/41/66/782134166.db2.gz OCPZIDNTAHVONB-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825782 782142566 /nfs/dbraw/zinc/14/25/66/782142566.db2.gz IJCNBYMZHHNHPN-YNEHKIRRSA-N 2 1 303.403 -1.239 20 0 DAADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653019 782160523 /nfs/dbraw/zinc/16/05/23/782160523.db2.gz FAUHHCZARXUGDJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653019 782160525 /nfs/dbraw/zinc/16/05/25/782160525.db2.gz FAUHHCZARXUGDJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198653019 782160527 /nfs/dbraw/zinc/16/05/27/782160527.db2.gz FAUHHCZARXUGDJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198653019 782160529 /nfs/dbraw/zinc/16/05/29/782160529.db2.gz FAUHHCZARXUGDJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CC(=O)N1CCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000387889342 545640987 /nfs/dbraw/zinc/64/09/87/545640987.db2.gz QXSHFOQBPAFOCN-UHFFFAOYSA-N 2 1 311.430 -1.486 20 0 DAADMP CC(=O)N1CCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000387889342 545640988 /nfs/dbraw/zinc/64/09/88/545640988.db2.gz QXSHFOQBPAFOCN-UHFFFAOYSA-N 2 1 311.430 -1.486 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672004379 545656806 /nfs/dbraw/zinc/65/68/06/545656806.db2.gz BLGCQCUDLQJZRX-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672004379 545656809 /nfs/dbraw/zinc/65/68/09/545656809.db2.gz BLGCQCUDLQJZRX-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672004379 545656812 /nfs/dbraw/zinc/65/68/12/545656812.db2.gz BLGCQCUDLQJZRX-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331635562 545727424 /nfs/dbraw/zinc/72/74/24/545727424.db2.gz UALUTFNHCIEVQH-CQSZACIVSA-N 2 1 323.441 -1.296 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331635562 545727430 /nfs/dbraw/zinc/72/74/30/545727430.db2.gz UALUTFNHCIEVQH-CQSZACIVSA-N 2 1 323.441 -1.296 20 0 DAADMP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332090786 545729930 /nfs/dbraw/zinc/72/99/30/545729930.db2.gz BDZJBZWDDGMGRC-MQYQWHSLSA-N 2 1 324.425 -1.280 20 0 DAADMP CC[C@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332033839 545730347 /nfs/dbraw/zinc/73/03/47/545730347.db2.gz WKZIUFSTDQELFM-JTQLQIEISA-N 2 1 319.431 -1.648 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357930969 545738397 /nfs/dbraw/zinc/73/83/97/545738397.db2.gz WCFORBFNTCSUGC-XQQFMLRXSA-N 2 1 312.414 -1.232 20 0 DAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419231350 545766428 /nfs/dbraw/zinc/76/64/28/545766428.db2.gz ZOMFYLXNTKSRNN-CYBMUJFWSA-N 2 1 310.398 -1.059 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649343069 545801638 /nfs/dbraw/zinc/80/16/38/545801638.db2.gz AERBSQVMKJDETP-UHFFFAOYSA-N 2 1 312.414 -1.013 20 0 DAADMP [NH3+]CCOCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000568632029 545807872 /nfs/dbraw/zinc/80/78/72/545807872.db2.gz GSUUPLVLNBPAKZ-UHFFFAOYSA-N 2 1 312.370 -1.745 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000656019593 545810055 /nfs/dbraw/zinc/81/00/55/545810055.db2.gz HCGJACPQIWQMBF-RFQIPJPRSA-N 2 1 324.425 -1.232 20 0 DAADMP C[C@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000656023726 545810804 /nfs/dbraw/zinc/81/08/04/545810804.db2.gz DGMXGUOOAGUMEE-ZENOOKHLSA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025329 545811512 /nfs/dbraw/zinc/81/15/12/545811512.db2.gz HFZZPDAHOUCJCB-RVMXOQNASA-N 2 1 310.398 -1.622 20 0 DAADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025330 545812038 /nfs/dbraw/zinc/81/20/38/545812038.db2.gz HFZZPDAHOUCJCB-WUHRBBMRSA-N 2 1 310.398 -1.622 20 0 DAADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656068986 545812766 /nfs/dbraw/zinc/81/27/66/545812766.db2.gz MPVOOGCXBMVMDQ-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656085726 545814725 /nfs/dbraw/zinc/81/47/25/545814725.db2.gz MEJYREKPKJSWLV-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085726 545814730 /nfs/dbraw/zinc/81/47/30/545814730.db2.gz MEJYREKPKJSWLV-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085726 545814736 /nfs/dbraw/zinc/81/47/36/545814736.db2.gz MEJYREKPKJSWLV-HZSPNIEDSA-N 2 1 324.425 -1.184 20 0 DAADMP CCCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000656105254 545814787 /nfs/dbraw/zinc/81/47/87/545814787.db2.gz ZWKHLGZTUCYCEQ-MELADBBJSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656101977 545816037 /nfs/dbraw/zinc/81/60/37/545816037.db2.gz AGAOUAMHVIAODQ-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104266 545816988 /nfs/dbraw/zinc/81/69/88/545816988.db2.gz MNACRJKFURLCIR-YIYPIFLZSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000656104002 545817089 /nfs/dbraw/zinc/81/70/89/545817089.db2.gz FMHKSBYTPLTJQD-MROQNXINSA-N 2 1 310.398 -1.527 20 0 DAADMP [NH3+]CC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104036 545817362 /nfs/dbraw/zinc/81/73/62/545817362.db2.gz GEEAHJYZIOHJLN-QWHCGFSZSA-N 2 1 310.398 -1.539 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656104288 545817480 /nfs/dbraw/zinc/81/74/80/545817480.db2.gz MXAOHZBFOIRBNV-QJPTWQEYSA-N 2 1 312.370 -2.550 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656104289 545817589 /nfs/dbraw/zinc/81/75/89/545817589.db2.gz MXAOHZBFOIRBNV-TUAOUCFPSA-N 2 1 312.370 -2.550 20 0 DAADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304066 545820524 /nfs/dbraw/zinc/82/05/24/545820524.db2.gz PRUPLRDTEAMOFJ-KWCYVHTRSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656304066 545820530 /nfs/dbraw/zinc/82/05/30/545820530.db2.gz PRUPLRDTEAMOFJ-KWCYVHTRSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656304066 545820539 /nfs/dbraw/zinc/82/05/39/545820539.db2.gz PRUPLRDTEAMOFJ-KWCYVHTRSA-N 2 1 322.409 -1.383 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398463 545830679 /nfs/dbraw/zinc/83/06/79/545830679.db2.gz NJMQYRYXVQRCTF-FRRDWIJNSA-N 2 1 310.398 -1.166 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902686 545835763 /nfs/dbraw/zinc/83/57/63/545835763.db2.gz CUYTVDZOQZSXLO-CQSZACIVSA-N 2 1 324.425 -1.182 20 0 DAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662907717 545839646 /nfs/dbraw/zinc/83/96/46/545839646.db2.gz VZSGRANPXDBJOE-OLZOCXBDSA-N 2 1 309.414 -1.639 20 0 DAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662908134 545840035 /nfs/dbraw/zinc/84/00/35/545840035.db2.gz ZEEOJLPRUBJLEP-ZIAGYGMSSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662907718 545840236 /nfs/dbraw/zinc/84/02/36/545840236.db2.gz VZSGRANPXDBJOE-QWHCGFSZSA-N 2 1 309.414 -1.639 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001199943841 782188377 /nfs/dbraw/zinc/18/83/77/782188377.db2.gz SCUYEBPCWZJTLE-CQSZACIVSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001199943841 782188390 /nfs/dbraw/zinc/18/83/90/782188390.db2.gz SCUYEBPCWZJTLE-CQSZACIVSA-N 2 1 315.414 -1.094 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943659 782189158 /nfs/dbraw/zinc/18/91/58/782189158.db2.gz OGLBPOLTHFWBIY-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943659 782189163 /nfs/dbraw/zinc/18/91/63/782189163.db2.gz OGLBPOLTHFWBIY-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199944104 782189252 /nfs/dbraw/zinc/18/92/52/782189252.db2.gz VFCOBUDLYXTBTE-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944104 782189259 /nfs/dbraw/zinc/18/92/59/782189259.db2.gz VFCOBUDLYXTBTE-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028546 662311275 /nfs/dbraw/zinc/31/12/75/662311275.db2.gz PWUXNSSJZNSHBE-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028546 662311278 /nfs/dbraw/zinc/31/12/78/662311278.db2.gz PWUXNSSJZNSHBE-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028546 662311280 /nfs/dbraw/zinc/31/12/80/662311280.db2.gz PWUXNSSJZNSHBE-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028546 662311281 /nfs/dbraw/zinc/31/12/81/662311281.db2.gz PWUXNSSJZNSHBE-VXGBXAGGSA-N 2 1 323.397 -1.320 20 0 DAADMP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001021047736 662349173 /nfs/dbraw/zinc/34/91/73/662349173.db2.gz NBQVATXZRCGRIZ-GMTAPVOTSA-N 2 1 308.386 -1.203 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021080059 662354174 /nfs/dbraw/zinc/35/41/74/662354174.db2.gz ILLPDEHMJTUTPY-CYDGBPFRSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021080059 662354176 /nfs/dbraw/zinc/35/41/76/662354176.db2.gz ILLPDEHMJTUTPY-CYDGBPFRSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021906367 662382836 /nfs/dbraw/zinc/38/28/36/662382836.db2.gz LMZUHUSIQSGFPU-TUAOUCFPSA-N 2 1 323.397 -1.131 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021927171 662382846 /nfs/dbraw/zinc/38/28/46/662382846.db2.gz CAVKPYXJEMUPLY-XQHKEYJVSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021927171 662382848 /nfs/dbraw/zinc/38/28/48/662382848.db2.gz CAVKPYXJEMUPLY-XQHKEYJVSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021927294 662383263 /nfs/dbraw/zinc/38/32/63/662383263.db2.gz CTEZTLVTHRLZLC-XQQFMLRXSA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021927294 662383265 /nfs/dbraw/zinc/38/32/65/662383265.db2.gz CTEZTLVTHRLZLC-XQQFMLRXSA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021926661 662383272 /nfs/dbraw/zinc/38/32/72/662383272.db2.gz RJCNQLOVGRYIRV-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001021926661 662383273 /nfs/dbraw/zinc/38/32/73/662383273.db2.gz RJCNQLOVGRYIRV-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928767 662383300 /nfs/dbraw/zinc/38/33/00/662383300.db2.gz SUNYQFYBNHYYAA-WRWGMCAJSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928767 662383301 /nfs/dbraw/zinc/38/33/01/662383301.db2.gz SUNYQFYBNHYYAA-WRWGMCAJSA-N 2 1 324.381 -1.641 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)O1 ZINC001022276612 662389694 /nfs/dbraw/zinc/38/96/94/662389694.db2.gz NTTVMICESWBFBV-UJPOAAIJSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)O1 ZINC001022276612 662389696 /nfs/dbraw/zinc/38/96/96/662389696.db2.gz NTTVMICESWBFBV-UJPOAAIJSA-N 2 1 310.398 -1.169 20 0 DAADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969412 662397233 /nfs/dbraw/zinc/39/72/33/662397233.db2.gz MHGYSTVHBXQRNI-BWAOXVRWSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969412 662397235 /nfs/dbraw/zinc/39/72/35/662397235.db2.gz MHGYSTVHBXQRNI-BWAOXVRWSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969412 662397237 /nfs/dbraw/zinc/39/72/37/662397237.db2.gz MHGYSTVHBXQRNI-BWAOXVRWSA-N 2 1 322.409 -1.132 20 0 DAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969412 662397240 /nfs/dbraw/zinc/39/72/40/662397240.db2.gz MHGYSTVHBXQRNI-BWAOXVRWSA-N 2 1 322.409 -1.132 20 0 DAADMP CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969415 662397308 /nfs/dbraw/zinc/39/73/08/662397308.db2.gz MHGYSTVHBXQRNI-WULFKBJJSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969415 662397310 /nfs/dbraw/zinc/39/73/10/662397310.db2.gz MHGYSTVHBXQRNI-WULFKBJJSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969415 662397312 /nfs/dbraw/zinc/39/73/12/662397312.db2.gz MHGYSTVHBXQRNI-WULFKBJJSA-N 2 1 322.409 -1.132 20 0 DAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969415 662397313 /nfs/dbraw/zinc/39/73/13/662397313.db2.gz MHGYSTVHBXQRNI-WULFKBJJSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926398484 662403552 /nfs/dbraw/zinc/40/35/52/662403552.db2.gz VSCRNOLMLDJZIV-UONOGXRCSA-N 2 1 323.441 -1.440 20 0 DAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926411129 662405857 /nfs/dbraw/zinc/40/58/57/662405857.db2.gz UKIYWQOOZMEVHI-MRXNPFEDSA-N 2 1 323.441 -1.438 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023086334 662428726 /nfs/dbraw/zinc/42/87/26/662428726.db2.gz IKFRPBYQIFAGBT-YFKTTZPYSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)C1 ZINC001024417069 662472937 /nfs/dbraw/zinc/47/29/37/662472937.db2.gz JNONIJJXZZROIM-JHJVBQTASA-N 2 1 321.381 -1.477 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001024411279 662473279 /nfs/dbraw/zinc/47/32/79/662473279.db2.gz IGRFAECOUZXAFA-JHJVBQTASA-N 2 1 321.381 -1.335 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719346 662527822 /nfs/dbraw/zinc/52/78/22/662527822.db2.gz JQZIUNJOALDXAX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719346 662527827 /nfs/dbraw/zinc/52/78/27/662527827.db2.gz JQZIUNJOALDXAX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719346 662527830 /nfs/dbraw/zinc/52/78/30/662527830.db2.gz JQZIUNJOALDXAX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719346 662527834 /nfs/dbraw/zinc/52/78/34/662527834.db2.gz JQZIUNJOALDXAX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000314238997 662533472 /nfs/dbraw/zinc/53/34/72/662533472.db2.gz XCKWPLHGONRSRW-XQQFMLRXSA-N 2 1 319.427 -1.243 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001019772813 662535702 /nfs/dbraw/zinc/53/57/02/662535702.db2.gz SHCRPFZIAVCKRL-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147807 662542610 /nfs/dbraw/zinc/54/26/10/662542610.db2.gz OHNJMQLVQBXBBQ-LBELIVKGSA-N 2 1 310.398 -1.373 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145821 662542706 /nfs/dbraw/zinc/54/27/06/662542706.db2.gz MGVOBBGWZXKKLF-BYNIDDHOSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145821 662542708 /nfs/dbraw/zinc/54/27/08/662542708.db2.gz MGVOBBGWZXKKLF-BYNIDDHOSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145821 662542711 /nfs/dbraw/zinc/54/27/11/662542711.db2.gz MGVOBBGWZXKKLF-BYNIDDHOSA-N 2 1 320.393 -1.210 20 0 DAADMP OC[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000930511933 662542941 /nfs/dbraw/zinc/54/29/41/662542941.db2.gz PTPXSPMVGUNDLZ-ZYOSVBKOSA-N 2 1 302.415 -1.129 20 0 DAADMP OC[C@@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@H](O)CO)C2)C1 ZINC000930511933 662542943 /nfs/dbraw/zinc/54/29/43/662542943.db2.gz PTPXSPMVGUNDLZ-ZYOSVBKOSA-N 2 1 302.415 -1.129 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145824 662543118 /nfs/dbraw/zinc/54/31/18/662543118.db2.gz MGVOBBGWZXKKLF-YCGPCKTQSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145824 662543120 /nfs/dbraw/zinc/54/31/20/662543120.db2.gz MGVOBBGWZXKKLF-YCGPCKTQSA-N 2 1 320.393 -1.210 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026145824 662543121 /nfs/dbraw/zinc/54/31/21/662543121.db2.gz MGVOBBGWZXKKLF-YCGPCKTQSA-N 2 1 320.393 -1.210 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133091 662618294 /nfs/dbraw/zinc/61/82/94/662618294.db2.gz KOBXOWGHFKBJJH-CABCVRRESA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133091 662618295 /nfs/dbraw/zinc/61/82/95/662618295.db2.gz KOBXOWGHFKBJJH-CABCVRRESA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133091 662618296 /nfs/dbraw/zinc/61/82/96/662618296.db2.gz KOBXOWGHFKBJJH-CABCVRRESA-N 2 1 300.447 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC)C[C@H]32)C1 ZINC000979076596 662619689 /nfs/dbraw/zinc/61/96/89/662619689.db2.gz YYGHZURGLUEDKR-YIYPIFLZSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC)C[C@H]32)C1 ZINC000979076596 662619690 /nfs/dbraw/zinc/61/96/90/662619690.db2.gz YYGHZURGLUEDKR-YIYPIFLZSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076596 662619691 /nfs/dbraw/zinc/61/96/91/662619691.db2.gz YYGHZURGLUEDKR-YIYPIFLZSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076596 662619692 /nfs/dbraw/zinc/61/96/92/662619692.db2.gz YYGHZURGLUEDKR-YIYPIFLZSA-N 2 1 324.425 -1.253 20 0 DAADMP CN1CCO[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653040 /nfs/dbraw/zinc/65/30/40/662653040.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 2 1 324.425 -1.027 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629847 662681931 /nfs/dbraw/zinc/68/19/31/662681931.db2.gz UOHRZLLAFMHPLD-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629847 662681932 /nfs/dbraw/zinc/68/19/32/662681932.db2.gz UOHRZLLAFMHPLD-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629847 662681934 /nfs/dbraw/zinc/68/19/34/662681934.db2.gz UOHRZLLAFMHPLD-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629847 662681936 /nfs/dbraw/zinc/68/19/36/662681936.db2.gz UOHRZLLAFMHPLD-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)CC1=O ZINC000924984636 662692014 /nfs/dbraw/zinc/69/20/14/662692014.db2.gz WTXYLFMMGHGWGR-JHJVBQTASA-N 2 1 312.414 -1.422 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CC1=O ZINC000924984635 662692153 /nfs/dbraw/zinc/69/21/53/662692153.db2.gz WTXYLFMMGHGWGR-FRRDWIJNSA-N 2 1 312.414 -1.422 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000983392055 662694095 /nfs/dbraw/zinc/69/40/95/662694095.db2.gz SFPCOLFGMFSFQU-FDYHWXHSSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000983392055 662694096 /nfs/dbraw/zinc/69/40/96/662694096.db2.gz SFPCOLFGMFSFQU-FDYHWXHSSA-N 2 1 310.398 -1.310 20 0 DAADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000897617415 662744736 /nfs/dbraw/zinc/74/47/36/662744736.db2.gz PCKKNCWPHDVNCD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000897617415 662744738 /nfs/dbraw/zinc/74/47/38/662744738.db2.gz PCKKNCWPHDVNCD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000897617415 662744741 /nfs/dbraw/zinc/74/47/41/662744741.db2.gz PCKKNCWPHDVNCD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000897617415 662744733 /nfs/dbraw/zinc/74/47/33/662744733.db2.gz PCKKNCWPHDVNCD-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617102 662767475 /nfs/dbraw/zinc/76/74/75/662767475.db2.gz LHGUCSZTCLGVQR-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617102 662767479 /nfs/dbraw/zinc/76/74/79/662767479.db2.gz LHGUCSZTCLGVQR-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990617102 662767483 /nfs/dbraw/zinc/76/74/83/662767483.db2.gz LHGUCSZTCLGVQR-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990617102 662767486 /nfs/dbraw/zinc/76/74/86/662767486.db2.gz LHGUCSZTCLGVQR-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000990618090 662768459 /nfs/dbraw/zinc/76/84/59/662768459.db2.gz RGJVAXXUGGHDRP-ZDUSSCGKSA-N 2 1 322.409 -1.260 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000990618090 662768461 /nfs/dbraw/zinc/76/84/61/662768461.db2.gz RGJVAXXUGGHDRP-ZDUSSCGKSA-N 2 1 322.409 -1.260 20 0 DAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000903713240 662790344 /nfs/dbraw/zinc/79/03/44/662790344.db2.gz JEPPHIPVNSCITH-LBPRGKRZSA-N 2 1 318.443 -1.191 20 0 DAADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CS(N)(=O)=O ZINC000903827168 662790626 /nfs/dbraw/zinc/79/06/26/662790626.db2.gz POWXGOIOKJVKGS-NEPJUHHUSA-N 2 1 318.443 -1.335 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756475 662790712 /nfs/dbraw/zinc/79/07/12/662790712.db2.gz SBFDRMWLDODQDR-XUJVJEKNSA-N 2 1 308.382 -1.602 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756475 662790714 /nfs/dbraw/zinc/79/07/14/662790714.db2.gz SBFDRMWLDODQDR-XUJVJEKNSA-N 2 1 308.382 -1.602 20 0 DAADMP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755936 662790718 /nfs/dbraw/zinc/79/07/18/662790718.db2.gz MYEDDKBVDHRMBZ-STQMWFEESA-N 2 1 322.409 -1.212 20 0 DAADMP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2C1=O ZINC000903755936 662790719 /nfs/dbraw/zinc/79/07/19/662790719.db2.gz MYEDDKBVDHRMBZ-STQMWFEESA-N 2 1 322.409 -1.212 20 0 DAADMP CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)[C@@H](C[NH3+])C1 ZINC000904955908 662792353 /nfs/dbraw/zinc/79/23/53/662792353.db2.gz IMTANUZZQOWKBX-WWGRRREGSA-N 2 1 323.441 -1.502 20 0 DAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904985344 662793432 /nfs/dbraw/zinc/79/34/32/662793432.db2.gz ACFRJLTULFMHOJ-FRRDWIJNSA-N 2 1 310.398 -1.396 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986065 662793739 /nfs/dbraw/zinc/79/37/39/662793739.db2.gz FMOKXWLEDVZMLE-STQMWFEESA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904989645 662794062 /nfs/dbraw/zinc/79/40/62/662794062.db2.gz MNJAKSQXIFSVQX-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000910974912 663135240 /nfs/dbraw/zinc/13/52/40/663135240.db2.gz AYQKYXRZBRSNLZ-MWLCHTKSSA-N 2 1 308.386 -1.174 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000911031346 663135614 /nfs/dbraw/zinc/13/56/14/663135614.db2.gz POMUUQZIDNLGDW-UPJWGTAASA-N 2 1 311.430 -1.598 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911032390 663135684 /nfs/dbraw/zinc/13/56/84/663135684.db2.gz UFBIFSXAVFARIA-ZENOOKHLSA-N 2 1 323.441 -1.312 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911032387 663135782 /nfs/dbraw/zinc/13/57/82/663135782.db2.gz UFBIFSXAVFARIA-IOASZLSFSA-N 2 1 323.441 -1.312 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911071927 663136754 /nfs/dbraw/zinc/13/67/54/663136754.db2.gz DLXWJZYSAUKNCQ-XHDPSFHLSA-N 2 1 310.398 -1.349 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1[NH3+] ZINC000911147012 663137299 /nfs/dbraw/zinc/13/72/99/663137299.db2.gz DQNWNVKABWAZLI-YVECIDJPSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000911139133 663137674 /nfs/dbraw/zinc/13/76/74/663137674.db2.gz XDOGPDLMFJKMLO-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000911147377 663137742 /nfs/dbraw/zinc/13/77/42/663137742.db2.gz QKIVOJNSNVCHMH-STQMWFEESA-N 2 1 323.441 -1.251 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911148477 663137749 /nfs/dbraw/zinc/13/77/49/663137749.db2.gz PESLKOBAYMIASG-RFGFWPKPSA-N 2 1 324.425 -1.063 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911147814 663137777 /nfs/dbraw/zinc/13/77/77/663137777.db2.gz JQZFDONIBOBSID-QSLWVIQJSA-N 2 1 322.409 -1.025 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000911148934 663137849 /nfs/dbraw/zinc/13/78/49/663137849.db2.gz SYSUEHMUCAEKTH-RWMBFGLXSA-N 2 1 310.398 -1.085 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911147813 663137870 /nfs/dbraw/zinc/13/78/70/663137870.db2.gz JQZFDONIBOBSID-PEBLQZBPSA-N 2 1 322.409 -1.025 20 0 DAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187283 663138094 /nfs/dbraw/zinc/13/80/94/663138094.db2.gz NYNWXUHSDXOIEE-JHJVBQTASA-N 2 1 312.414 -1.063 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911157403 663138232 /nfs/dbraw/zinc/13/82/32/663138232.db2.gz UYQMOHOURWPNBH-NEPJUHHUSA-N 2 1 300.403 -1.348 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000911163529 663138248 /nfs/dbraw/zinc/13/82/48/663138248.db2.gz WHSVFRSIGGASPC-LBELIVKGSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163529 663138254 /nfs/dbraw/zinc/13/82/54/663138254.db2.gz WHSVFRSIGGASPC-LBELIVKGSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161063 663138272 /nfs/dbraw/zinc/13/82/72/663138272.db2.gz FBCTXJDMNHJGNQ-RQJABVFESA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161063 663138277 /nfs/dbraw/zinc/13/82/77/663138277.db2.gz FBCTXJDMNHJGNQ-RQJABVFESA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000911161062 663138501 /nfs/dbraw/zinc/13/85/01/663138501.db2.gz FBCTXJDMNHJGNQ-IGQOVBAYSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161062 663138505 /nfs/dbraw/zinc/13/85/05/663138505.db2.gz FBCTXJDMNHJGNQ-IGQOVBAYSA-N 2 1 324.425 -1.110 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[N@@H+](C)C1CC1 ZINC000911206590 663139584 /nfs/dbraw/zinc/13/95/84/663139584.db2.gz QPJZREFALSFKQV-NHYWBVRUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[N@@H+](C)C1CC1 ZINC000911206589 663139619 /nfs/dbraw/zinc/13/96/19/663139619.db2.gz QPJZREFALSFKQV-IAQYHMDHSA-N 2 1 312.414 -1.103 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911230538 663140104 /nfs/dbraw/zinc/14/01/04/663140104.db2.gz HETJMBYYLAOAFN-HAQNSBGRSA-N 2 1 300.403 -1.076 20 0 DAADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911271277 663140340 /nfs/dbraw/zinc/14/03/40/663140340.db2.gz ZUDFVXYTVHYMSP-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911269553 663140468 /nfs/dbraw/zinc/14/04/68/663140468.db2.gz LMMMQVSTRSSUHI-ZIAGYGMSSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911223681 663140502 /nfs/dbraw/zinc/14/05/02/663140502.db2.gz RHIJYMOUYQLIOY-AWEZNQCLSA-N 2 1 323.441 -1.392 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911255905 663141036 /nfs/dbraw/zinc/14/10/36/663141036.db2.gz NYGRFXMOQCATEU-UHFFFAOYSA-N 2 1 313.446 -1.144 20 0 DAADMP CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911282476 663141401 /nfs/dbraw/zinc/14/14/01/663141401.db2.gz QZZWKCUTDWZGRR-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000911312073 663141493 /nfs/dbraw/zinc/14/14/93/663141493.db2.gz UHWYAUKPTDNEDT-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911286968 663141932 /nfs/dbraw/zinc/14/19/32/663141932.db2.gz BHWNAINIRKLAHA-MELADBBJSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000911311262 663142030 /nfs/dbraw/zinc/14/20/30/663142030.db2.gz QOMUCRJDHCRFEZ-XUJVJEKNSA-N 2 1 310.398 -1.499 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC000911312438 663142427 /nfs/dbraw/zinc/14/24/27/663142427.db2.gz XLVMKPKIBYOXOS-WWGRRREGSA-N 2 1 324.425 -1.109 20 0 DAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)C1 ZINC000911503495 663147538 /nfs/dbraw/zinc/14/75/38/663147538.db2.gz NPJPNMRNBVKJCR-ZDUSSCGKSA-N 2 1 323.441 -1.168 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000911507342 663148097 /nfs/dbraw/zinc/14/80/97/663148097.db2.gz VNOUSLHHGXSBGJ-RYUDHWBXSA-N 2 1 310.398 -1.349 20 0 DAADMP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196916 663156360 /nfs/dbraw/zinc/15/63/60/663156360.db2.gz VFRQIRYEWFHLQR-ZIAGYGMSSA-N 2 1 301.387 -1.700 20 0 DAADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196916 663156362 /nfs/dbraw/zinc/15/63/62/663156362.db2.gz VFRQIRYEWFHLQR-ZIAGYGMSSA-N 2 1 301.387 -1.700 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC000913184338 663156655 /nfs/dbraw/zinc/15/66/55/663156655.db2.gz OWXILCXCXDAFGC-AWEZNQCLSA-N 2 1 311.386 -1.475 20 0 DAADMP CN1CC[N@H+](C)CC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196342 663156755 /nfs/dbraw/zinc/15/67/55/663156755.db2.gz MJSGCEDPYCIHCK-CQSZACIVSA-N 2 1 300.403 -2.053 20 0 DAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913196342 663156756 /nfs/dbraw/zinc/15/67/56/663156756.db2.gz MJSGCEDPYCIHCK-CQSZACIVSA-N 2 1 300.403 -2.053 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991722542 663186498 /nfs/dbraw/zinc/18/64/98/663186498.db2.gz PIRCJRJQUKBUSU-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991722542 663186500 /nfs/dbraw/zinc/18/65/00/663186500.db2.gz PIRCJRJQUKBUSU-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991722542 663186504 /nfs/dbraw/zinc/18/65/04/663186504.db2.gz PIRCJRJQUKBUSU-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722542 663186508 /nfs/dbraw/zinc/18/65/08/663186508.db2.gz PIRCJRJQUKBUSU-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915903 663238685 /nfs/dbraw/zinc/23/86/85/663238685.db2.gz SBLANKNWEMWLMS-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915903 663238694 /nfs/dbraw/zinc/23/86/94/663238694.db2.gz SBLANKNWEMWLMS-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000913915903 663238703 /nfs/dbraw/zinc/23/87/03/663238703.db2.gz SBLANKNWEMWLMS-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000992599047 663241199 /nfs/dbraw/zinc/24/11/99/663241199.db2.gz LDTZHEMFWNKURP-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000992599047 663241200 /nfs/dbraw/zinc/24/12/00/663241200.db2.gz LDTZHEMFWNKURP-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000992599047 663241201 /nfs/dbraw/zinc/24/12/01/663241201.db2.gz LDTZHEMFWNKURP-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599047 663241204 /nfs/dbraw/zinc/24/12/04/663241204.db2.gz LDTZHEMFWNKURP-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+](C)C ZINC000919313078 663299865 /nfs/dbraw/zinc/29/98/65/663299865.db2.gz ORGNNBGRIGHCMS-UHFFFAOYSA-N 2 1 320.459 -1.026 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031584985 663300968 /nfs/dbraw/zinc/30/09/68/663300968.db2.gz NPSFXOWUPPAWIR-LBPRGKRZSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031584985 663300972 /nfs/dbraw/zinc/30/09/72/663300972.db2.gz NPSFXOWUPPAWIR-LBPRGKRZSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182088 663444965 /nfs/dbraw/zinc/44/49/65/663444965.db2.gz DQRQGPREKIUSLK-VXGBXAGGSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182088 663444969 /nfs/dbraw/zinc/44/49/69/663444969.db2.gz DQRQGPREKIUSLK-VXGBXAGGSA-N 2 1 308.382 -1.209 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432879 663486950 /nfs/dbraw/zinc/48/69/50/663486950.db2.gz FVXITNYDAFDWAH-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000996432879 663486952 /nfs/dbraw/zinc/48/69/52/663486952.db2.gz FVXITNYDAFDWAH-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000996432879 663486954 /nfs/dbraw/zinc/48/69/54/663486954.db2.gz FVXITNYDAFDWAH-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000996432879 663486955 /nfs/dbraw/zinc/48/69/55/663486955.db2.gz FVXITNYDAFDWAH-GXTWGEPZSA-N 2 1 324.425 -1.014 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996622906 663489875 /nfs/dbraw/zinc/48/98/75/663489875.db2.gz TYXQHACWHJBRRL-CHWSQXEVSA-N 2 1 310.398 -1.085 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996671513 663490353 /nfs/dbraw/zinc/49/03/53/663490353.db2.gz OOHRBHXMQAMWSY-ZDUSSCGKSA-N 2 1 322.413 -1.121 20 0 DAADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1 ZINC000999142961 663556657 /nfs/dbraw/zinc/55/66/57/663556657.db2.gz IGFXUJBKZSBHBC-RRHJKOLHSA-N 2 1 322.409 -1.086 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865053 663568250 /nfs/dbraw/zinc/56/82/50/663568250.db2.gz RUPGYWJDCMPATN-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865053 663568251 /nfs/dbraw/zinc/56/82/51/663568251.db2.gz RUPGYWJDCMPATN-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000999865053 663568252 /nfs/dbraw/zinc/56/82/52/663568252.db2.gz RUPGYWJDCMPATN-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000999865053 663568253 /nfs/dbraw/zinc/56/82/53/663568253.db2.gz RUPGYWJDCMPATN-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536624 663583164 /nfs/dbraw/zinc/58/31/64/663583164.db2.gz RICHMDBHJGXPKW-HZSPNIEDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536624 663583168 /nfs/dbraw/zinc/58/31/68/663583168.db2.gz RICHMDBHJGXPKW-HZSPNIEDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536624 663583170 /nfs/dbraw/zinc/58/31/70/663583170.db2.gz RICHMDBHJGXPKW-HZSPNIEDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536624 663583174 /nfs/dbraw/zinc/58/31/74/663583174.db2.gz RICHMDBHJGXPKW-HZSPNIEDSA-N 2 1 324.425 -1.027 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312095 663600834 /nfs/dbraw/zinc/60/08/34/663600834.db2.gz RJUBDFJMMDYEJQ-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312095 663600837 /nfs/dbraw/zinc/60/08/37/663600837.db2.gz RJUBDFJMMDYEJQ-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001312095 663600841 /nfs/dbraw/zinc/60/08/41/663600841.db2.gz RJUBDFJMMDYEJQ-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001312095 663600844 /nfs/dbraw/zinc/60/08/44/663600844.db2.gz RJUBDFJMMDYEJQ-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)CCOCCO ZINC000922111825 663621880 /nfs/dbraw/zinc/62/18/80/663621880.db2.gz NGXNUDKWXNEMOQ-CQSZACIVSA-N 2 1 315.414 -1.236 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922111379 663622076 /nfs/dbraw/zinc/62/20/76/663622076.db2.gz UNTWWTWORCJSIN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922111379 663622077 /nfs/dbraw/zinc/62/20/77/663622077.db2.gz UNTWWTWORCJSIN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC[N@H+](C)CCOCCO)O1 ZINC000922111379 663622079 /nfs/dbraw/zinc/62/20/79/663622079.db2.gz UNTWWTWORCJSIN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922111379 663622082 /nfs/dbraw/zinc/62/20/82/663622082.db2.gz UNTWWTWORCJSIN-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[NH+](CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)CCOCCO ZINC000922129228 663623022 /nfs/dbraw/zinc/62/30/22/663623022.db2.gz POGJSGQIJISGDE-HNNXBMFYSA-N 2 1 317.430 -1.110 20 0 DAADMP C[N@@H+](CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)CCOCCO ZINC000922129228 663623020 /nfs/dbraw/zinc/62/30/20/663623020.db2.gz POGJSGQIJISGDE-HNNXBMFYSA-N 2 1 317.430 -1.110 20 0 DAADMP C[NH+](CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CCOCCO ZINC000922129228 663623023 /nfs/dbraw/zinc/62/30/23/663623023.db2.gz POGJSGQIJISGDE-HNNXBMFYSA-N 2 1 317.430 -1.110 20 0 DAADMP C[NH2+]C[C@@](C)(O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437026 663697221 /nfs/dbraw/zinc/69/72/21/663697221.db2.gz MJANKCSGDLIXRK-GFCCVEGCSA-N 2 1 306.432 -2.124 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918722 663698278 /nfs/dbraw/zinc/69/82/78/663698278.db2.gz PXYPOZOLUMZDQY-CHWSQXEVSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842163900 663876727 /nfs/dbraw/zinc/87/67/27/663876727.db2.gz ALCMVLBGMGVJHQ-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842163897 663877030 /nfs/dbraw/zinc/87/70/30/663877030.db2.gz ALCMVLBGMGVJHQ-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+][C@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000842514302 663877089 /nfs/dbraw/zinc/87/70/89/663877089.db2.gz WEWANPGIVFKYDM-GFCCVEGCSA-N 2 1 316.427 -1.440 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842163895 663877098 /nfs/dbraw/zinc/87/70/98/663877098.db2.gz ALCMVLBGMGVJHQ-AGIUHOORSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164735 663877151 /nfs/dbraw/zinc/87/71/51/663877151.db2.gz NZJATXPEHKTLQH-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000842512253 663877255 /nfs/dbraw/zinc/87/72/55/663877255.db2.gz JDXYHTPNPBFSCO-GFCCVEGCSA-N 2 1 320.390 -1.866 20 0 DAADMP [NH3+]CCCCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842511805 663877326 /nfs/dbraw/zinc/87/73/26/663877326.db2.gz GFHMRBQLAHTGPI-UHFFFAOYSA-N 2 1 318.443 -1.049 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1=O ZINC000846358724 663886894 /nfs/dbraw/zinc/88/68/94/663886894.db2.gz YVMHIDDQAAFHFH-UHFFFAOYSA-N 2 1 312.414 -1.059 20 0 DAADMP [NH3+]CCCCCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848613807 663892354 /nfs/dbraw/zinc/89/23/54/663892354.db2.gz LUHBARWVIYTDOM-QWHCGFSZSA-N 2 1 312.414 -1.101 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848637637 663892473 /nfs/dbraw/zinc/89/24/73/663892473.db2.gz UTXUQJABNFCDEY-XQHKEYJVSA-N 2 1 308.382 -1.916 20 0 DAADMP NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000849012975 663893108 /nfs/dbraw/zinc/89/31/08/663893108.db2.gz CKRPFHQWIACDMT-NEPJUHHUSA-N 2 1 313.402 -1.144 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851685789 663896327 /nfs/dbraw/zinc/89/63/27/663896327.db2.gz WFHMPKAPXHIJLX-BTJONVMOSA-N 2 1 322.409 -1.085 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852870823 663899016 /nfs/dbraw/zinc/89/90/16/663899016.db2.gz YLZDRVLQODWBEO-NSHDSACASA-N 2 1 311.386 -1.288 20 0 DAADMP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)=NO1 ZINC000852876599 663899026 /nfs/dbraw/zinc/89/90/26/663899026.db2.gz MOIRGDHIWFPMCN-GHMZBOCLSA-N 2 1 309.370 -1.487 20 0 DAADMP C[Si](C)(CC[NH+]1C[C@@H](O)[C@@H](O)C1)CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000859154025 663911861 /nfs/dbraw/zinc/91/18/61/663911861.db2.gz UAYPARDMMIOVOG-KPWCQOOUSA-N 2 1 318.490 -1.230 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000861750777 663918193 /nfs/dbraw/zinc/91/81/93/663918193.db2.gz BZLZAWOXWDNIPO-RYUDHWBXSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000863752474 663925822 /nfs/dbraw/zinc/92/58/22/663925822.db2.gz XQGCOKOJHZZSCU-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000863773945 663926767 /nfs/dbraw/zinc/92/67/67/663926767.db2.gz MMIJNPZXSVVAOY-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000863773945 663926769 /nfs/dbraw/zinc/92/67/69/663926769.db2.gz MMIJNPZXSVVAOY-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000863774204 663927076 /nfs/dbraw/zinc/92/70/76/663927076.db2.gz ROASAZQTKTZLSN-UTUOFQBUSA-N 2 1 300.403 -1.295 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000863774204 663927078 /nfs/dbraw/zinc/92/70/78/663927078.db2.gz ROASAZQTKTZLSN-UTUOFQBUSA-N 2 1 300.403 -1.295 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000863773944 663927170 /nfs/dbraw/zinc/92/71/70/663927170.db2.gz MMIJNPZXSVVAOY-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000863773944 663927173 /nfs/dbraw/zinc/92/71/73/663927173.db2.gz MMIJNPZXSVVAOY-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP CS(=O)(=O)NCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709239 663931338 /nfs/dbraw/zinc/93/13/38/663931338.db2.gz JKEUQCUHLJEMOD-AXFHLTTASA-N 2 1 318.399 -1.598 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709239 663931340 /nfs/dbraw/zinc/93/13/40/663931340.db2.gz JKEUQCUHLJEMOD-AXFHLTTASA-N 2 1 318.399 -1.598 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000866717458 663932050 /nfs/dbraw/zinc/93/20/50/663932050.db2.gz GEZMWXVKNAFUEY-JSGCOSHPSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000866717458 663932051 /nfs/dbraw/zinc/93/20/51/663932051.db2.gz GEZMWXVKNAFUEY-JSGCOSHPSA-N 2 1 310.398 -1.212 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868397627 663933888 /nfs/dbraw/zinc/93/38/88/663933888.db2.gz YSECYTVZQDIIFB-QWHCGFSZSA-N 2 1 312.414 -1.027 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[C@H](C[NH3+])C1 ZINC000868385676 663933988 /nfs/dbraw/zinc/93/39/88/663933988.db2.gz WRIBAGSXLFVMRI-MGPQQGTHSA-N 2 1 323.441 -1.360 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC[C@H]21 ZINC000868387367 663933993 /nfs/dbraw/zinc/93/39/93/663933993.db2.gz BORWFQRWJZOABY-JHJVBQTASA-N 2 1 310.398 -1.275 20 0 DAADMP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000923622199 663938004 /nfs/dbraw/zinc/93/80/04/663938004.db2.gz VAHYWANZNLUUNJ-CHWSQXEVSA-N 2 1 320.459 -1.087 20 0 DAADMP CC[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000923622199 663938007 /nfs/dbraw/zinc/93/80/07/663938007.db2.gz VAHYWANZNLUUNJ-CHWSQXEVSA-N 2 1 320.459 -1.087 20 0 DAADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232931 663939217 /nfs/dbraw/zinc/93/92/17/663939217.db2.gz JUDYVAAPSHPDQH-HIFRSBDPSA-N 2 1 313.398 -1.341 20 0 DAADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232931 663939219 /nfs/dbraw/zinc/93/92/19/663939219.db2.gz JUDYVAAPSHPDQH-HIFRSBDPSA-N 2 1 313.398 -1.341 20 0 DAADMP O=C1COC[C@@]2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872232820 663939339 /nfs/dbraw/zinc/93/93/39/663939339.db2.gz HNLMBQUAOAKXEZ-DZGCQCFKSA-N 2 1 313.398 -1.340 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876754057 663946818 /nfs/dbraw/zinc/94/68/18/663946818.db2.gz AXMHGFYQPWSJLL-GXTWGEPZSA-N 2 1 301.387 -1.172 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)C1 ZINC000876898757 663948746 /nfs/dbraw/zinc/94/87/46/663948746.db2.gz CXVTZDXWAWHSBX-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)C1 ZINC000876898757 663948748 /nfs/dbraw/zinc/94/87/48/663948748.db2.gz CXVTZDXWAWHSBX-NEPJUHHUSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C ZINC000876902229 663948772 /nfs/dbraw/zinc/94/87/72/663948772.db2.gz CEJOKAQVVRFPRC-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C ZINC000876902229 663948774 /nfs/dbraw/zinc/94/87/74/663948774.db2.gz CEJOKAQVVRFPRC-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884562666 663964905 /nfs/dbraw/zinc/96/49/05/663964905.db2.gz HGWBGCZPRMWMFM-SWLSCSKDSA-N 2 1 312.414 -1.251 20 0 DAADMP CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000884562913 663965109 /nfs/dbraw/zinc/96/51/09/663965109.db2.gz OHBJLNRDAKTWEU-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884559987 663965148 /nfs/dbraw/zinc/96/51/48/663965148.db2.gz KNGKSMSRYYIUNC-XQHKEYJVSA-N 2 1 310.398 -1.086 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884560355 663965173 /nfs/dbraw/zinc/96/51/73/663965173.db2.gz VOTVVUSGUCXIBE-QNWHQSFQSA-N 2 1 308.382 -1.462 20 0 DAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000884652176 663965547 /nfs/dbraw/zinc/96/55/47/663965547.db2.gz LWXXIIPXBJFAID-XJKSGUPXSA-N 2 1 324.425 -1.107 20 0 DAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884603714 663965910 /nfs/dbraw/zinc/96/59/10/663965910.db2.gz PMYVCMRYMGSZRP-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000884725395 663966248 /nfs/dbraw/zinc/96/62/48/663966248.db2.gz IKWHWFYNKBGIJM-AGIUHOORSA-N 2 1 310.398 -1.356 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884811887 663967876 /nfs/dbraw/zinc/96/78/76/663967876.db2.gz IDIFSZRDENVCLQ-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884811887 663967880 /nfs/dbraw/zinc/96/78/80/663967880.db2.gz IDIFSZRDENVCLQ-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887070771 663976133 /nfs/dbraw/zinc/97/61/33/663976133.db2.gz SPGGHHJNUSKYPN-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000926313151 663981390 /nfs/dbraw/zinc/98/13/90/663981390.db2.gz RNLKFFMRUDAWBQ-INIZCTEOSA-N 2 1 324.425 -1.147 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926295212 663981701 /nfs/dbraw/zinc/98/17/01/663981701.db2.gz MJOPNZIPIZNJCL-HNNXBMFYSA-N 2 1 312.414 -1.147 20 0 DAADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926337487 663982274 /nfs/dbraw/zinc/98/22/74/663982274.db2.gz PXVLAOMBNJOZQE-KBPBESRZSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926337488 663982518 /nfs/dbraw/zinc/98/25/18/663982518.db2.gz PXVLAOMBNJOZQE-KGLIPLIRSA-N 2 1 323.441 -1.297 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000926319138 663982604 /nfs/dbraw/zinc/98/26/04/663982604.db2.gz DREDDASXOMROFQ-XJKSGUPXSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000926319138 663982609 /nfs/dbraw/zinc/98/26/09/663982609.db2.gz DREDDASXOMROFQ-XJKSGUPXSA-N 2 1 324.425 -1.005 20 0 DAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926383369 663983325 /nfs/dbraw/zinc/98/33/25/663983325.db2.gz STNNPMUXYSKIEO-CYBMUJFWSA-N 2 1 311.430 -1.440 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000926355273 663983569 /nfs/dbraw/zinc/98/35/69/663983569.db2.gz FBFLXWWOAIFATO-MGPQQGTHSA-N 2 1 324.425 -1.027 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926358580 663983835 /nfs/dbraw/zinc/98/38/35/663983835.db2.gz BCALFPQYCUINGC-HNNXBMFYSA-N 2 1 312.414 -1.149 20 0 DAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926413031 663984199 /nfs/dbraw/zinc/98/41/99/663984199.db2.gz LPXGWPRBFJTBDN-OAHLLOKOSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426939 663984268 /nfs/dbraw/zinc/98/42/68/663984268.db2.gz ATKNTMYPDYRVPG-RNJOBUHISA-N 2 1 310.398 -1.765 20 0 DAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1(C)C ZINC000926400311 663984682 /nfs/dbraw/zinc/98/46/82/663984682.db2.gz LLNSIZKAVJFRCR-HNNXBMFYSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1(C)C ZINC000926400311 663984685 /nfs/dbraw/zinc/98/46/85/663984685.db2.gz LLNSIZKAVJFRCR-HNNXBMFYSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1 ZINC000926411276 663984711 /nfs/dbraw/zinc/98/47/11/663984711.db2.gz CWOOAZRFPOUWRC-HOTGVXAUSA-N 2 1 324.425 -1.147 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948808 664000009 /nfs/dbraw/zinc/00/00/09/664000009.db2.gz UENMEBGYFPHALW-NWDGAFQWSA-N 2 1 309.432 -1.464 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954318797 664142834 /nfs/dbraw/zinc/14/28/34/664142834.db2.gz ZUIVZCKOQDWZFQ-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954318797 664142840 /nfs/dbraw/zinc/14/28/40/664142840.db2.gz ZUIVZCKOQDWZFQ-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000954318797 664142842 /nfs/dbraw/zinc/14/28/42/664142842.db2.gz ZUIVZCKOQDWZFQ-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000954318797 664142845 /nfs/dbraw/zinc/14/28/45/664142845.db2.gz ZUIVZCKOQDWZFQ-GXTWGEPZSA-N 2 1 324.425 -1.062 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214950 664248470 /nfs/dbraw/zinc/24/84/70/664248470.db2.gz PMDMZYYUZCLAAN-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214950 664248471 /nfs/dbraw/zinc/24/84/71/664248471.db2.gz PMDMZYYUZCLAAN-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375461 664262361 /nfs/dbraw/zinc/26/23/61/664262361.db2.gz UJGOMRYJRGEXND-STQMWFEESA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375461 664262362 /nfs/dbraw/zinc/26/23/62/664262362.db2.gz UJGOMRYJRGEXND-STQMWFEESA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592951 664280407 /nfs/dbraw/zinc/28/04/07/664280407.db2.gz YZVYMYMMSMHCHC-NWDGAFQWSA-N 2 1 310.398 -1.763 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592951 664280409 /nfs/dbraw/zinc/28/04/09/664280409.db2.gz YZVYMYMMSMHCHC-NWDGAFQWSA-N 2 1 310.398 -1.763 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591769 664280685 /nfs/dbraw/zinc/28/06/85/664280685.db2.gz IHRKIGIZVSYGMB-QWHCGFSZSA-N 2 1 324.425 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591769 664280688 /nfs/dbraw/zinc/28/06/88/664280688.db2.gz IHRKIGIZVSYGMB-QWHCGFSZSA-N 2 1 324.425 -1.421 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963382549 664390159 /nfs/dbraw/zinc/39/01/59/664390159.db2.gz JGZNKUHTJWEVRW-MCIONIFRSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000967923721 664467583 /nfs/dbraw/zinc/46/75/83/664467583.db2.gz BPIPXDXNGMIYAV-VXGBXAGGSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250812 664573139 /nfs/dbraw/zinc/57/31/39/664573139.db2.gz QXESPRPRPQHYHN-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250812 664573142 /nfs/dbraw/zinc/57/31/42/664573142.db2.gz QXESPRPRPQHYHN-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250812 664573145 /nfs/dbraw/zinc/57/31/45/664573145.db2.gz QXESPRPRPQHYHN-NWDGAFQWSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020046015 664608211 /nfs/dbraw/zinc/60/82/11/664608211.db2.gz RJCNQLOVGRYIRV-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020046015 664608212 /nfs/dbraw/zinc/60/82/12/664608212.db2.gz RJCNQLOVGRYIRV-JHJVBQTASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046073 664608485 /nfs/dbraw/zinc/60/84/85/664608485.db2.gz SUNYQFYBNHYYAA-KKOKHZNYSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046073 664608487 /nfs/dbraw/zinc/60/84/87/664608487.db2.gz SUNYQFYBNHYYAA-KKOKHZNYSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000912992918 677821200 /nfs/dbraw/zinc/82/12/00/677821200.db2.gz OIPQWUVENOYSGS-TYNCELHUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992918 677821203 /nfs/dbraw/zinc/82/12/03/677821203.db2.gz OIPQWUVENOYSGS-TYNCELHUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992918 677821205 /nfs/dbraw/zinc/82/12/05/677821205.db2.gz OIPQWUVENOYSGS-TYNCELHUSA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C1C[NH+](C2CCOCC2)C1 ZINC000913178186 677822249 /nfs/dbraw/zinc/82/22/49/677822249.db2.gz DMOBXNJNWPOPIB-HNNXBMFYSA-N 2 1 313.398 -1.436 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001077618576 677869661 /nfs/dbraw/zinc/86/96/61/677869661.db2.gz MVYXSTHDZLVDLP-ZIAGYGMSSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001077618576 677869664 /nfs/dbraw/zinc/86/96/64/677869664.db2.gz MVYXSTHDZLVDLP-ZIAGYGMSSA-N 2 1 322.413 -1.219 20 0 DAADMP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C2 ZINC001077682597 677873772 /nfs/dbraw/zinc/87/37/72/677873772.db2.gz AZQDBTZUOAJRPH-IACUBPJLSA-N 2 1 308.382 -1.092 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999352190 677890163 /nfs/dbraw/zinc/89/01/63/677890163.db2.gz IZIXENIQYGIAOS-OLZOCXBDSA-N 2 1 322.413 -1.121 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999352187 677890324 /nfs/dbraw/zinc/89/03/24/677890324.db2.gz IZIXENIQYGIAOS-CHWSQXEVSA-N 2 1 322.413 -1.121 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564082 678174082 /nfs/dbraw/zinc/17/40/82/678174082.db2.gz QKEFCVYYOAKRSX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564082 678174085 /nfs/dbraw/zinc/17/40/85/678174085.db2.gz QKEFCVYYOAKRSX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073564082 678174086 /nfs/dbraw/zinc/17/40/86/678174086.db2.gz QKEFCVYYOAKRSX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564082 678174088 /nfs/dbraw/zinc/17/40/88/678174088.db2.gz QKEFCVYYOAKRSX-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)O1 ZINC001073660640 678177472 /nfs/dbraw/zinc/17/74/72/678177472.db2.gz KQRXBBOKSRXVGH-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)O1 ZINC001073660640 678177473 /nfs/dbraw/zinc/17/74/73/678177473.db2.gz KQRXBBOKSRXVGH-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)O1 ZINC001073660640 678177475 /nfs/dbraw/zinc/17/74/75/678177475.db2.gz KQRXBBOKSRXVGH-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073660640 678177477 /nfs/dbraw/zinc/17/74/77/678177477.db2.gz KQRXBBOKSRXVGH-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896325 678183080 /nfs/dbraw/zinc/18/30/80/678183080.db2.gz PUQRQXOXAWKZEU-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073896325 678183083 /nfs/dbraw/zinc/18/30/83/678183083.db2.gz PUQRQXOXAWKZEU-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073896325 678183086 /nfs/dbraw/zinc/18/30/86/678183086.db2.gz PUQRQXOXAWKZEU-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896325 678183088 /nfs/dbraw/zinc/18/30/88/678183088.db2.gz PUQRQXOXAWKZEU-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091505 678314636 /nfs/dbraw/zinc/31/46/36/678314636.db2.gz BJFWLYLGRKDWHS-STQMWFEESA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091505 678314638 /nfs/dbraw/zinc/31/46/38/678314638.db2.gz BJFWLYLGRKDWHS-STQMWFEESA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042091505 678314640 /nfs/dbraw/zinc/31/46/40/678314640.db2.gz BJFWLYLGRKDWHS-STQMWFEESA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042103485 678315385 /nfs/dbraw/zinc/31/53/85/678315385.db2.gz GAYUAGBMJWKHNZ-LBPRGKRZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043114757 678365030 /nfs/dbraw/zinc/36/50/30/678365030.db2.gz ARVHYKZYVHALTG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001043114757 678365034 /nfs/dbraw/zinc/36/50/34/678365034.db2.gz ARVHYKZYVHALTG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001043114757 678365037 /nfs/dbraw/zinc/36/50/37/678365037.db2.gz ARVHYKZYVHALTG-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717149 678470091 /nfs/dbraw/zinc/47/00/91/678470091.db2.gz VUIIFZWWARNXPY-UHFFFAOYSA-N 2 1 323.397 -1.167 20 0 DAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001045713947 678470108 /nfs/dbraw/zinc/47/01/08/678470108.db2.gz SIXJZDIEYPPOID-LBPRGKRZSA-N 2 1 312.414 -1.421 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009901 678473079 /nfs/dbraw/zinc/47/30/79/678473079.db2.gz FTROADXHNBTZAZ-ZIAGYGMSSA-N 2 1 323.441 -1.216 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009901 678473081 /nfs/dbraw/zinc/47/30/81/678473081.db2.gz FTROADXHNBTZAZ-ZIAGYGMSSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046009901 678473084 /nfs/dbraw/zinc/47/30/84/678473084.db2.gz FTROADXHNBTZAZ-ZIAGYGMSSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046009901 678473087 /nfs/dbraw/zinc/47/30/87/678473087.db2.gz FTROADXHNBTZAZ-ZIAGYGMSSA-N 2 1 323.441 -1.216 20 0 DAADMP C[C@]1(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1 ZINC001046501142 678483544 /nfs/dbraw/zinc/48/35/44/678483544.db2.gz KQTPFKRSENTZJL-IAWSLSPSSA-N 2 1 322.409 -1.085 20 0 DAADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001047428163 678518565 /nfs/dbraw/zinc/51/85/65/678518565.db2.gz BOCIGRGXQJIDDF-MROQNXINSA-N 2 1 301.387 -1.799 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833455 678562270 /nfs/dbraw/zinc/56/22/70/678562270.db2.gz ODGDADKOJXRSCC-RQJABVFESA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833455 678562272 /nfs/dbraw/zinc/56/22/72/678562272.db2.gz ODGDADKOJXRSCC-RQJABVFESA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833455 678562275 /nfs/dbraw/zinc/56/22/75/678562275.db2.gz ODGDADKOJXRSCC-RQJABVFESA-N 2 1 322.409 -1.275 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891911 678565755 /nfs/dbraw/zinc/56/57/55/678565755.db2.gz VTZSKEJHINEHFN-YIYPIFLZSA-N 2 1 324.425 -1.158 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891911 678565758 /nfs/dbraw/zinc/56/57/58/678565758.db2.gz VTZSKEJHINEHFN-YIYPIFLZSA-N 2 1 324.425 -1.158 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891911 678565760 /nfs/dbraw/zinc/56/57/60/678565760.db2.gz VTZSKEJHINEHFN-YIYPIFLZSA-N 2 1 324.425 -1.158 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891911 678565762 /nfs/dbraw/zinc/56/57/62/678565762.db2.gz VTZSKEJHINEHFN-YIYPIFLZSA-N 2 1 324.425 -1.158 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051495059 678759141 /nfs/dbraw/zinc/75/91/41/678759141.db2.gz ZDOCAHJFKJNDAU-NEPJUHHUSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495059 678759146 /nfs/dbraw/zinc/75/91/46/678759146.db2.gz ZDOCAHJFKJNDAU-NEPJUHHUSA-N 2 1 323.401 -1.379 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051714365 678767400 /nfs/dbraw/zinc/76/74/00/678767400.db2.gz FPDNZONGWIDNQO-OLZOCXBDSA-N 2 1 321.381 -1.103 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051933202 678780337 /nfs/dbraw/zinc/78/03/37/678780337.db2.gz FVRZDTUQNXNIIU-STQMWFEESA-N 2 1 321.381 -1.103 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051933199 678780388 /nfs/dbraw/zinc/78/03/88/678780388.db2.gz FVRZDTUQNXNIIU-CHWSQXEVSA-N 2 1 321.381 -1.103 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076534 678853569 /nfs/dbraw/zinc/85/35/69/678853569.db2.gz RKFZVQVLLZLVQX-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076534 678853574 /nfs/dbraw/zinc/85/35/74/678853574.db2.gz RKFZVQVLLZLVQX-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076534 678853579 /nfs/dbraw/zinc/85/35/79/678853579.db2.gz RKFZVQVLLZLVQX-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076534 678853584 /nfs/dbraw/zinc/85/35/84/678853584.db2.gz RKFZVQVLLZLVQX-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070158675 678856752 /nfs/dbraw/zinc/85/67/52/678856752.db2.gz UQYAPDJMEUVYFN-UPJWGTAASA-N 2 1 308.386 -1.294 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070158673 678857079 /nfs/dbraw/zinc/85/70/79/678857079.db2.gz UQYAPDJMEUVYFN-AGIUHOORSA-N 2 1 308.386 -1.294 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390743000 678859893 /nfs/dbraw/zinc/85/98/93/678859893.db2.gz SKENVBVSEAXIRW-ZIAGYGMSSA-N 2 1 316.446 -1.288 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001200183469 782193162 /nfs/dbraw/zinc/19/31/62/782193162.db2.gz YLPCCDVNDXQSCZ-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001200183469 782193168 /nfs/dbraw/zinc/19/31/68/782193168.db2.gz YLPCCDVNDXQSCZ-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115160473 782198159 /nfs/dbraw/zinc/19/81/59/782198159.db2.gz WJGXKZCIUJOZHW-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115160473 782198162 /nfs/dbraw/zinc/19/81/62/782198162.db2.gz WJGXKZCIUJOZHW-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115160473 782198164 /nfs/dbraw/zinc/19/81/64/782198164.db2.gz WJGXKZCIUJOZHW-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115160473 782198165 /nfs/dbraw/zinc/19/81/65/782198165.db2.gz WJGXKZCIUJOZHW-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)O1 ZINC001200787176 782207835 /nfs/dbraw/zinc/20/78/35/782207835.db2.gz NTNQBCLNVMWAAF-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)O1 ZINC001200787176 782207840 /nfs/dbraw/zinc/20/78/40/782207840.db2.gz NTNQBCLNVMWAAF-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201631903 782221059 /nfs/dbraw/zinc/22/10/59/782221059.db2.gz MBSQXHQXWHDCMD-UHFFFAOYSA-N 2 1 322.369 -1.033 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201640423 782221314 /nfs/dbraw/zinc/22/13/14/782221314.db2.gz YFZPFEMEPKZEBM-CQSZACIVSA-N 2 1 315.414 -1.092 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O ZINC001273909725 782222325 /nfs/dbraw/zinc/22/23/25/782222325.db2.gz KHRRSGSBUAAVEA-VSQXVHSFSA-N 2 1 318.443 -1.108 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O ZINC001273909724 782222915 /nfs/dbraw/zinc/22/29/15/782222915.db2.gz KHRRSGSBUAAVEA-PCAWENJQSA-N 2 1 318.443 -1.108 20 0 DAADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001273910062 782222935 /nfs/dbraw/zinc/22/29/35/782222935.db2.gz MDSQHQSAFSZLEH-CBZSPVTBSA-N 2 1 311.386 -1.074 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060225 782227134 /nfs/dbraw/zinc/22/71/34/782227134.db2.gz VPWCFNZKPTXTIS-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001273926982 782228184 /nfs/dbraw/zinc/22/81/84/782228184.db2.gz APRHLBCQXAZIPU-LDIIPZEWSA-N 2 1 310.398 -1.190 20 0 DAADMP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001273926982 782228194 /nfs/dbraw/zinc/22/81/94/782228194.db2.gz APRHLBCQXAZIPU-LDIIPZEWSA-N 2 1 310.398 -1.190 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274566992 782282906 /nfs/dbraw/zinc/28/29/06/782282906.db2.gz WRLNDAUMNDJCNX-UHFFFAOYSA-N 2 1 315.414 -1.356 20 0 DAADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274564632 782283583 /nfs/dbraw/zinc/28/35/83/782283583.db2.gz KMAQIBDQCUGWHP-JSGCOSHPSA-N 2 1 301.387 -1.796 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001111406913 782357482 /nfs/dbraw/zinc/35/74/82/782357482.db2.gz GRFXFLDEIFIEBN-QCNOEVLYSA-N 2 1 323.397 -1.146 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114774840 782377075 /nfs/dbraw/zinc/37/70/75/782377075.db2.gz VOXRUQNWYXIHPS-VIKVFOODSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114774840 782377085 /nfs/dbraw/zinc/37/70/85/782377085.db2.gz VOXRUQNWYXIHPS-VIKVFOODSA-N 2 1 324.425 -1.157 20 0 DAADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832719 782379655 /nfs/dbraw/zinc/37/96/55/782379655.db2.gz WSZDBEAAOGWPAK-PUHVVEEASA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832719 782379664 /nfs/dbraw/zinc/37/96/64/782379664.db2.gz WSZDBEAAOGWPAK-PUHVVEEASA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832719 782379674 /nfs/dbraw/zinc/37/96/74/782379674.db2.gz WSZDBEAAOGWPAK-PUHVVEEASA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114832719 782379682 /nfs/dbraw/zinc/37/96/82/782379682.db2.gz WSZDBEAAOGWPAK-PUHVVEEASA-N 2 1 323.397 -1.288 20 0 DAADMP Cn1cc(C[N@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321378 782380315 /nfs/dbraw/zinc/38/03/15/782380315.db2.gz IBOQXMRFNYAFLI-OKILXGFUSA-N 2 1 321.425 -1.096 20 0 DAADMP Cn1cc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321378 782380325 /nfs/dbraw/zinc/38/03/25/782380325.db2.gz IBOQXMRFNYAFLI-OKILXGFUSA-N 2 1 321.425 -1.096 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114849814 782382328 /nfs/dbraw/zinc/38/23/28/782382328.db2.gz YIUHCOWDJWPVRK-MIZYBKAJSA-N 2 1 311.386 -1.432 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114849814 782382339 /nfs/dbraw/zinc/38/23/39/782382339.db2.gz YIUHCOWDJWPVRK-MIZYBKAJSA-N 2 1 311.386 -1.432 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099975262 782518735 /nfs/dbraw/zinc/51/87/35/782518735.db2.gz ZVBFNTOBCSDELD-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099986853 782524998 /nfs/dbraw/zinc/52/49/98/782524998.db2.gz QFJPHMHGGFGROT-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036392 782533113 /nfs/dbraw/zinc/53/31/13/782533113.db2.gz FXLMNVNHLISSHL-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036392 782533123 /nfs/dbraw/zinc/53/31/23/782533123.db2.gz FXLMNVNHLISSHL-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100036364 782534782 /nfs/dbraw/zinc/53/47/82/782534782.db2.gz FLKVKTYXTLUFPC-KBPBESRZSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100036364 782534790 /nfs/dbraw/zinc/53/47/90/782534790.db2.gz FLKVKTYXTLUFPC-KBPBESRZSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100064265 782543972 /nfs/dbraw/zinc/54/39/72/782543972.db2.gz KPIQWPSNWVXQCS-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100064265 782543981 /nfs/dbraw/zinc/54/39/81/782543981.db2.gz KPIQWPSNWVXQCS-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100064265 782543988 /nfs/dbraw/zinc/54/39/88/782543988.db2.gz KPIQWPSNWVXQCS-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100509567 782576195 /nfs/dbraw/zinc/57/61/95/782576195.db2.gz NCEDBMMOTRBHMJ-UHFFFAOYSA-N 2 1 322.369 -1.129 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242964 782647654 /nfs/dbraw/zinc/64/76/54/782647654.db2.gz HAPDWTYQMZQCJZ-DCQANWLSSA-N 2 1 323.397 -1.288 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242964 782647660 /nfs/dbraw/zinc/64/76/60/782647660.db2.gz HAPDWTYQMZQCJZ-DCQANWLSSA-N 2 1 323.397 -1.288 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115126722 782644018 /nfs/dbraw/zinc/64/40/18/782644018.db2.gz SSOQEGBGCWNXFI-KZVDOYCCSA-N 2 1 310.398 -1.501 20 0 DAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001118331344 782715083 /nfs/dbraw/zinc/71/50/83/782715083.db2.gz PSNJLFVZSGMNAH-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP OC[C@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726392 /nfs/dbraw/zinc/72/63/92/782726392.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 2 1 314.426 -1.107 20 0 DAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001118925901 782740668 /nfs/dbraw/zinc/74/06/68/782740668.db2.gz WZYBJNYDJXQOQN-CYBMUJFWSA-N 2 1 311.430 -1.393 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001119294980 782751374 /nfs/dbraw/zinc/75/13/74/782751374.db2.gz PRXDYRDLIPZSGW-LBPRGKRZSA-N 2 1 313.446 -1.018 20 0 DAADMP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCN(CC[NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001209976261 775144848 /nfs/dbraw/zinc/14/48/48/775144848.db2.gz KGXXVUPLTUDIDF-RNJOBUHISA-N 2 1 301.387 -1.200 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001266585274 775158324 /nfs/dbraw/zinc/15/83/24/775158324.db2.gz XTAZTOXWNBVHNH-JHJVBQTASA-N 2 1 301.387 -1.437 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)C1 ZINC001266585274 775158328 /nfs/dbraw/zinc/15/83/28/775158328.db2.gz XTAZTOXWNBVHNH-JHJVBQTASA-N 2 1 301.387 -1.437 20 0 DAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666798 775168046 /nfs/dbraw/zinc/16/80/46/775168046.db2.gz DRIZJUJZIQWFSE-SECBINFHSA-N 2 1 301.347 -2.440 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266989158 775193423 /nfs/dbraw/zinc/19/34/23/775193423.db2.gz UDFDVGGQFCQLLK-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263491 775219695 /nfs/dbraw/zinc/21/96/95/775219695.db2.gz JYXCOLAIMNDTMP-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263491 775219706 /nfs/dbraw/zinc/21/97/06/775219706.db2.gz JYXCOLAIMNDTMP-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCOCCO)C1 ZINC001267263491 775219717 /nfs/dbraw/zinc/21/97/17/775219717.db2.gz JYXCOLAIMNDTMP-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263491 775219723 /nfs/dbraw/zinc/21/97/23/775219723.db2.gz JYXCOLAIMNDTMP-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267359166 775230313 /nfs/dbraw/zinc/23/03/13/775230313.db2.gz CFUWRKYHJFDZLM-NSHDSACASA-N 2 1 322.431 -2.086 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267359166 775230318 /nfs/dbraw/zinc/23/03/18/775230318.db2.gz CFUWRKYHJFDZLM-NSHDSACASA-N 2 1 322.431 -2.086 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267455661 775241209 /nfs/dbraw/zinc/24/12/09/775241209.db2.gz ARBQDTVWGPZUPK-NSHDSACASA-N 2 1 313.402 -1.168 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105327124 775309833 /nfs/dbraw/zinc/30/98/33/775309833.db2.gz SZORKLAYHJLIRX-RISCZKNCSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327124 775309847 /nfs/dbraw/zinc/30/98/47/775309847.db2.gz SZORKLAYHJLIRX-RISCZKNCSA-N 2 1 322.413 -1.059 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105327124 775309859 /nfs/dbraw/zinc/30/98/59/775309859.db2.gz SZORKLAYHJLIRX-RISCZKNCSA-N 2 1 322.413 -1.059 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268520870 775394716 /nfs/dbraw/zinc/39/47/16/775394716.db2.gz KVBOLTWMAINANO-FGTRRKKMSA-N 2 1 301.387 -1.414 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268520870 775394727 /nfs/dbraw/zinc/39/47/27/775394727.db2.gz KVBOLTWMAINANO-FGTRRKKMSA-N 2 1 301.387 -1.414 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001268568552 775400173 /nfs/dbraw/zinc/40/01/73/775400173.db2.gz UMRIDFKFYFSCLK-IHWYPQMZSA-N 2 1 308.342 -1.352 20 0 DAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268699278 775416895 /nfs/dbraw/zinc/41/68/95/775416895.db2.gz HBTORIIXEQBQFD-WDEREUQCSA-N 2 1 311.386 -1.273 20 0 DAADMP CNC(=O)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001268881192 775428155 /nfs/dbraw/zinc/42/81/55/775428155.db2.gz PBBVJVAWSFQCRD-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001268995823 775432888 /nfs/dbraw/zinc/43/28/88/775432888.db2.gz CBTUQKPDTNSZFA-UHFFFAOYSA-N 2 1 324.429 -1.176 20 0 DAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247708 775451260 /nfs/dbraw/zinc/45/12/60/775451260.db2.gz JGNCJZUVWSIPIU-ZDUSSCGKSA-N 2 1 324.425 -1.061 20 0 DAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272243488 775663150 /nfs/dbraw/zinc/66/31/50/775663150.db2.gz TUBAWQHXGFFFJT-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417615 775733087 /nfs/dbraw/zinc/73/30/87/775733087.db2.gz VXQCIUBXOYODRU-ZDUSSCGKSA-N 2 1 303.403 -1.188 20 0 DAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417344 775734181 /nfs/dbraw/zinc/73/41/81/775734181.db2.gz RLVATUHFZPLACY-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168423884 775738910 /nfs/dbraw/zinc/73/89/10/775738910.db2.gz CYPXCWKIQDQVJR-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP Cn1cnnc1C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001272295315 775746053 /nfs/dbraw/zinc/74/60/53/775746053.db2.gz PAQSDDRGBOSEEJ-UHFFFAOYSA-N 2 1 322.413 -1.179 20 0 DAADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272389488 775756054 /nfs/dbraw/zinc/75/60/54/775756054.db2.gz OQPHNQDTPXGTRY-OLZOCXBDSA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)OCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272389488 775756066 /nfs/dbraw/zinc/75/60/66/775756066.db2.gz OQPHNQDTPXGTRY-OLZOCXBDSA-N 2 1 303.403 -1.191 20 0 DAADMP CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001122376651 775784586 /nfs/dbraw/zinc/78/45/86/775784586.db2.gz DOEIWDLYDGPCLH-ZDUSSCGKSA-N 2 1 311.430 -1.440 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124838695 775830742 /nfs/dbraw/zinc/83/07/42/775830742.db2.gz YRHSTGGUVFYODN-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124873556 775832088 /nfs/dbraw/zinc/83/20/88/775832088.db2.gz YAXDWQXUBLRGAV-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872575 775832513 /nfs/dbraw/zinc/83/25/13/775832513.db2.gz KQRNEJBVECTKDX-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124873233 775832537 /nfs/dbraw/zinc/83/25/37/775832537.db2.gz UGEHHCBFZNQZOD-LLVKDONJSA-N 2 1 311.386 -2.255 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001107008960 775835177 /nfs/dbraw/zinc/83/51/77/775835177.db2.gz DZJDSUAXPHRKMR-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)C1 ZINC001107008960 775835187 /nfs/dbraw/zinc/83/51/87/775835187.db2.gz DZJDSUAXPHRKMR-JHJVBQTASA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203915 775839474 /nfs/dbraw/zinc/83/94/74/775839474.db2.gz VFQVVJJYLDCWAF-DTWKUNHWSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203915 775839477 /nfs/dbraw/zinc/83/94/77/775839477.db2.gz VFQVVJJYLDCWAF-DTWKUNHWSA-N 2 1 301.347 -2.394 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccco2)C1 ZINC001125220606 775840952 /nfs/dbraw/zinc/84/09/52/775840952.db2.gz KDJNJPVUTIUGKR-CYBMUJFWSA-N 2 1 324.381 -1.068 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccco2)C1 ZINC001125220606 775840962 /nfs/dbraw/zinc/84/09/62/775840962.db2.gz KDJNJPVUTIUGKR-CYBMUJFWSA-N 2 1 324.381 -1.068 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001125221147 775841369 /nfs/dbraw/zinc/84/13/69/775841369.db2.gz NMBPMUXBKDMGAY-VXGBXAGGSA-N 2 1 308.386 -1.198 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001125221147 775841375 /nfs/dbraw/zinc/84/13/75/775841375.db2.gz NMBPMUXBKDMGAY-VXGBXAGGSA-N 2 1 308.386 -1.198 20 0 DAADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125219794 775841678 /nfs/dbraw/zinc/84/16/78/775841678.db2.gz BWHJNLGTXFZSIX-LBPRGKRZSA-N 2 1 315.418 -1.270 20 0 DAADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125219794 775841683 /nfs/dbraw/zinc/84/16/83/775841683.db2.gz BWHJNLGTXFZSIX-LBPRGKRZSA-N 2 1 315.418 -1.270 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001125220692 775841825 /nfs/dbraw/zinc/84/18/25/775841825.db2.gz KTRWNFKYJDCWFV-SNVBAGLBSA-N 2 1 313.358 -2.425 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001125220692 775841831 /nfs/dbraw/zinc/84/18/31/775841831.db2.gz KTRWNFKYJDCWFV-SNVBAGLBSA-N 2 1 313.358 -2.425 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001125220486 775841905 /nfs/dbraw/zinc/84/19/05/775841905.db2.gz IGIBTNOEIIVVOR-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001125220486 775841911 /nfs/dbraw/zinc/84/19/11/775841911.db2.gz IGIBTNOEIIVVOR-LLVKDONJSA-N 2 1 307.416 -1.543 20 0 DAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125227210 775842351 /nfs/dbraw/zinc/84/23/51/775842351.db2.gz OIPCGKXQJGPKHS-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125227210 775842359 /nfs/dbraw/zinc/84/23/59/775842359.db2.gz OIPCGKXQJGPKHS-WCQYABFASA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125227211 775842471 /nfs/dbraw/zinc/84/24/71/775842471.db2.gz OIPCGKXQJGPKHS-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125227211 775842480 /nfs/dbraw/zinc/84/24/80/775842480.db2.gz OIPCGKXQJGPKHS-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779158 775862773 /nfs/dbraw/zinc/86/27/73/775862773.db2.gz JQTBKRCDYOEFJI-UWVGGRQHSA-N 2 1 313.358 -2.250 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779267 775863218 /nfs/dbraw/zinc/86/32/18/775863218.db2.gz KJGITXRFNAXTRM-RYUDHWBXSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779267 775863223 /nfs/dbraw/zinc/86/32/23/775863223.db2.gz KJGITXRFNAXTRM-RYUDHWBXSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779972 775863366 /nfs/dbraw/zinc/86/33/66/775863366.db2.gz UOLIYJREQDZQSL-MNOVXSKESA-N 2 1 309.374 -1.721 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779972 775863370 /nfs/dbraw/zinc/86/33/70/775863370.db2.gz UOLIYJREQDZQSL-MNOVXSKESA-N 2 1 309.374 -1.721 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778872 775863599 /nfs/dbraw/zinc/86/35/99/775863599.db2.gz HHVJXGXAKZNQOQ-STQMWFEESA-N 2 1 301.387 -1.436 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779266 775863966 /nfs/dbraw/zinc/86/39/66/775863966.db2.gz KJGITXRFNAXTRM-NWDGAFQWSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779266 775863974 /nfs/dbraw/zinc/86/39/74/775863974.db2.gz KJGITXRFNAXTRM-NWDGAFQWSA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC001127779324 775864094 /nfs/dbraw/zinc/86/40/94/775864094.db2.gz LGPWOCAJQIEOQF-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780216 775864653 /nfs/dbraw/zinc/86/46/53/775864653.db2.gz XDYHPNXFDUBYFY-AAEUAGOBSA-N 2 1 308.386 -1.116 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780054 775864783 /nfs/dbraw/zinc/86/47/83/775864783.db2.gz VERDFCOPPCSHMB-NWDGAFQWSA-N 2 1 319.427 -1.400 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1 ZINC001127777789 775864806 /nfs/dbraw/zinc/86/48/06/775864806.db2.gz BQNARQAIKAHUHT-STQMWFEESA-N 2 1 310.398 -1.166 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779910 775864832 /nfs/dbraw/zinc/86/48/32/775864832.db2.gz SRHOTISEDNXAMC-OLZOCXBDSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779910 775864837 /nfs/dbraw/zinc/86/48/37/775864837.db2.gz SRHOTISEDNXAMC-OLZOCXBDSA-N 2 1 308.386 -1.116 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129205600 776055105 /nfs/dbraw/zinc/05/51/05/776055105.db2.gz XOOUNGRPZHVTCZ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129205600 776055111 /nfs/dbraw/zinc/05/51/11/776055111.db2.gz XOOUNGRPZHVTCZ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954888 776144575 /nfs/dbraw/zinc/14/45/75/776144575.db2.gz MWCMIXQIAPPTKH-MJBXVCDLSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954888 776144579 /nfs/dbraw/zinc/14/45/79/776144579.db2.gz MWCMIXQIAPPTKH-MJBXVCDLSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954888 776144581 /nfs/dbraw/zinc/14/45/81/776144581.db2.gz MWCMIXQIAPPTKH-MJBXVCDLSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954888 776144584 /nfs/dbraw/zinc/14/45/84/776144584.db2.gz MWCMIXQIAPPTKH-MJBXVCDLSA-N 2 1 322.413 -1.219 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001084078058 776156510 /nfs/dbraw/zinc/15/65/10/776156510.db2.gz LRAOLIMUHRNOGL-AGIUHOORSA-N 2 1 301.387 -1.485 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053030 776159137 /nfs/dbraw/zinc/15/91/37/776159137.db2.gz QIFORIGQPMDVIE-UPJWGTAASA-N 2 1 310.398 -1.668 20 0 DAADMP CN(C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052804 776159261 /nfs/dbraw/zinc/15/92/61/776159261.db2.gz IDMQVBQMYNCVEF-YUTCNCBUSA-N 2 1 324.425 -1.280 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099987212 776216116 /nfs/dbraw/zinc/21/61/16/776216116.db2.gz WMAAGMAXEAXQBM-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099987212 776216123 /nfs/dbraw/zinc/21/61/23/776216123.db2.gz WMAAGMAXEAXQBM-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099986933 776216897 /nfs/dbraw/zinc/21/68/97/776216897.db2.gz RJDCZCVEDHXLNE-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001273358974 776220127 /nfs/dbraw/zinc/22/01/27/776220127.db2.gz PYHFXJQRTSXSMW-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001273358974 776220133 /nfs/dbraw/zinc/22/01/33/776220133.db2.gz PYHFXJQRTSXSMW-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091894 776240038 /nfs/dbraw/zinc/24/00/38/776240038.db2.gz RNWMVADBWKKROY-XQHKEYJVSA-N 2 1 310.398 -1.181 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086152331 776245235 /nfs/dbraw/zinc/24/52/35/776245235.db2.gz AWXTVWIYMPQGFQ-JUDIDYJCSA-N 2 1 322.409 -1.181 20 0 DAADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001129329097 776256672 /nfs/dbraw/zinc/25/66/72/776256672.db2.gz URRNRIAJSAWGPW-LLVKDONJSA-N 2 1 313.402 -1.135 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086331918 776257263 /nfs/dbraw/zinc/25/72/63/776257263.db2.gz LAOSETBQHJSXAT-LPWJVIDDSA-N 2 1 310.398 -1.310 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086331918 776257270 /nfs/dbraw/zinc/25/72/70/776257270.db2.gz LAOSETBQHJSXAT-LPWJVIDDSA-N 2 1 310.398 -1.310 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373278 776258344 /nfs/dbraw/zinc/25/83/44/776258344.db2.gz RNWMVADBWKKROY-ZDEQEGDKSA-N 2 1 310.398 -1.181 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100084144 776262195 /nfs/dbraw/zinc/26/21/95/776262195.db2.gz XWVSMLBIFUTYCQ-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100084144 776262199 /nfs/dbraw/zinc/26/21/99/776262199.db2.gz XWVSMLBIFUTYCQ-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100084144 776262204 /nfs/dbraw/zinc/26/22/04/776262204.db2.gz XWVSMLBIFUTYCQ-KBPBESRZSA-N 2 1 317.430 -1.112 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001156124884 776271095 /nfs/dbraw/zinc/27/10/95/776271095.db2.gz ANILKJLAUYMHOE-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001156124884 776271105 /nfs/dbraw/zinc/27/11/05/776271105.db2.gz ANILKJLAUYMHOE-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001156124883 776271692 /nfs/dbraw/zinc/27/16/92/776271692.db2.gz ANILKJLAUYMHOE-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001156124883 776271700 /nfs/dbraw/zinc/27/17/00/776271700.db2.gz ANILKJLAUYMHOE-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146332 776273239 /nfs/dbraw/zinc/27/32/39/776273239.db2.gz WKDWCDMFWLNIAX-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146332 776273245 /nfs/dbraw/zinc/27/32/45/776273245.db2.gz WKDWCDMFWLNIAX-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129385019 776328152 /nfs/dbraw/zinc/32/81/52/776328152.db2.gz CLQXPXDGRKNDSF-CHWSQXEVSA-N 2 1 322.413 -1.250 20 0 DAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129385024 776329687 /nfs/dbraw/zinc/32/96/87/776329687.db2.gz CLXHQRPDSXCNPK-LBPRGKRZSA-N 2 1 310.402 -1.393 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387487 776330626 /nfs/dbraw/zinc/33/06/26/776330626.db2.gz VGUNGMQMZFORMS-NWDGAFQWSA-N 2 1 310.402 -1.346 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(=O)N(C)C ZINC001129386506 776330711 /nfs/dbraw/zinc/33/07/11/776330711.db2.gz MIPDIPBLJDPQSY-STQMWFEESA-N 2 1 324.429 -1.004 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386085 776330751 /nfs/dbraw/zinc/33/07/51/776330751.db2.gz JSNOYQZOCZPGJH-QWHCGFSZSA-N 2 1 313.402 -1.474 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129387197 776332696 /nfs/dbraw/zinc/33/26/96/776332696.db2.gz TXJOCAIPHOGLBW-RYUDHWBXSA-N 2 1 308.386 -1.592 20 0 DAADMP COC[C@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545589 776412321 /nfs/dbraw/zinc/41/23/21/776412321.db2.gz WVONLGMJZHVDBG-CYBMUJFWSA-N 2 1 303.403 -1.284 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001170222440 776425277 /nfs/dbraw/zinc/42/52/77/776425277.db2.gz JJZMWSPRDMBDQF-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180711 776495226 /nfs/dbraw/zinc/49/52/26/776495226.db2.gz VILZCEHQQDERKR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180711 776495235 /nfs/dbraw/zinc/49/52/35/776495235.db2.gz VILZCEHQQDERKR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137249 776495832 /nfs/dbraw/zinc/49/58/32/776495832.db2.gz PPBOOJCFAAEJSC-NEPJUHHUSA-N 2 1 323.401 -1.555 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521949 776571521 /nfs/dbraw/zinc/57/15/21/776571521.db2.gz MVGFVRMJBANBEG-BVWOZKJXSA-N 2 1 310.398 -1.310 20 0 DAADMP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519281 776571864 /nfs/dbraw/zinc/57/18/64/776571864.db2.gz CJYFPSKBUGUPGY-WVIDZAQPSA-N 2 1 308.382 -1.556 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC1 ZINC001131520312 776573529 /nfs/dbraw/zinc/57/35/29/776573529.db2.gz XGLKQIDUTLLQRV-UYJPIKCFSA-N 2 1 322.409 -1.212 20 0 DAADMP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520237 776574683 /nfs/dbraw/zinc/57/46/83/776574683.db2.gz VQKGBMKFQKATSA-BWAOXVRWSA-N 2 1 322.409 -1.166 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520473 776575396 /nfs/dbraw/zinc/57/53/96/776575396.db2.gz YXBDVTXLVNIMMM-QRJNDHJOSA-N 2 1 320.397 -1.116 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132849048 776643433 /nfs/dbraw/zinc/64/34/33/776643433.db2.gz ZYDSYAXGLWCDCZ-NEPJUHHUSA-N 2 1 300.403 -1.064 20 0 DAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001132848991 776643663 /nfs/dbraw/zinc/64/36/63/776643663.db2.gz YCULTBPHHDMJOH-ZDUSSCGKSA-N 2 1 303.403 -1.190 20 0 DAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133823661 776678520 /nfs/dbraw/zinc/67/85/20/776678520.db2.gz LOIYBTVYVGVZQO-NSHDSACASA-N 2 1 311.386 -1.272 20 0 DAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133823660 776678768 /nfs/dbraw/zinc/67/87/68/776678768.db2.gz LOIYBTVYVGVZQO-LLVKDONJSA-N 2 1 311.386 -1.272 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001133845682 776679249 /nfs/dbraw/zinc/67/92/49/776679249.db2.gz LPFMIFZLRWOFEF-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001133850668 776679654 /nfs/dbraw/zinc/67/96/54/776679654.db2.gz PLJGLNMTIYMQMK-LLVKDONJSA-N 2 1 306.432 -1.417 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870633 776680475 /nfs/dbraw/zinc/68/04/75/776680475.db2.gz UZERSURZBFOFCZ-QWRGUYRKSA-N 2 1 313.402 -1.264 20 0 DAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001133865745 776680855 /nfs/dbraw/zinc/68/08/55/776680855.db2.gz GAVITUMGEPIJIB-JTQLQIEISA-N 2 1 322.369 -1.345 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133863509 776680943 /nfs/dbraw/zinc/68/09/43/776680943.db2.gz MXQYEVXIZWYRSV-GHMZBOCLSA-N 2 1 311.386 -1.558 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133862647 776681640 /nfs/dbraw/zinc/68/16/40/776681640.db2.gz DYGJOPVMNOXIIS-WDEREUQCSA-N 2 1 306.432 -1.561 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095967 776735592 /nfs/dbraw/zinc/73/55/92/776735592.db2.gz YCEKHCODLVJXOD-GHMZBOCLSA-N 2 1 311.386 -1.096 20 0 DAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341155 776751363 /nfs/dbraw/zinc/75/13/63/776751363.db2.gz PKDOLMOESONRPE-UHFFFAOYSA-N 2 1 321.443 -1.151 20 0 DAADMP COC(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c(S(N)(=O)=O)c1 ZINC001170898760 776781475 /nfs/dbraw/zinc/78/14/75/776781475.db2.gz VIFYJWOWDHMPPN-VIFPVBQESA-N 2 1 317.371 -1.049 20 0 DAADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791045 /nfs/dbraw/zinc/79/10/45/776791045.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CCN(CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791052 /nfs/dbraw/zinc/79/10/52/776791052.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792064 /nfs/dbraw/zinc/79/20/64/776792064.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 1 312.414 -1.245 20 0 DAADMP CC1(C)CCN(CC(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792073 /nfs/dbraw/zinc/79/20/73/776792073.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119618337 779508901 /nfs/dbraw/zinc/50/89/01/779508901.db2.gz HEBBCEDGLUORIV-CHWSQXEVSA-N 2 1 311.430 -1.406 20 0 DAADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119618339 779509189 /nfs/dbraw/zinc/50/91/89/779509189.db2.gz HEBBCEDGLUORIV-QWHCGFSZSA-N 2 1 311.430 -1.406 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@@H]21 ZINC001119705818 779511823 /nfs/dbraw/zinc/51/18/23/779511823.db2.gz ZXGGMJNGFSOOKL-XUJVJEKNSA-N 2 1 310.398 -1.539 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001120456341 779522531 /nfs/dbraw/zinc/52/25/31/779522531.db2.gz UIMJZRWZHYASJM-XUXIUFHCSA-N 2 1 324.425 -1.103 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001120514990 779523160 /nfs/dbraw/zinc/52/31/60/779523160.db2.gz MBGXGEVKWUQCCG-STQMWFEESA-N 2 1 311.430 -1.454 20 0 DAADMP Cn1c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001124867419 779603886 /nfs/dbraw/zinc/60/38/86/779603886.db2.gz VPUHOGNIAWLFLU-LBPRGKRZSA-N 2 1 323.397 -1.616 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001125209859 779607793 /nfs/dbraw/zinc/60/77/93/779607793.db2.gz ZNLHLFAQQUWXDE-QWHCGFSZSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001125209859 779607798 /nfs/dbraw/zinc/60/77/98/779607798.db2.gz ZNLHLFAQQUWXDE-QWHCGFSZSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001125209857 779608470 /nfs/dbraw/zinc/60/84/70/779608470.db2.gz ZNLHLFAQQUWXDE-OLZOCXBDSA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001125209857 779608472 /nfs/dbraw/zinc/60/84/72/779608472.db2.gz ZNLHLFAQQUWXDE-OLZOCXBDSA-N 2 1 311.386 -1.720 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213187 779608486 /nfs/dbraw/zinc/60/84/86/779608486.db2.gz CITCQSAVLXXMQL-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213187 779608491 /nfs/dbraw/zinc/60/84/91/779608491.db2.gz CITCQSAVLXXMQL-JTQLQIEISA-N 2 1 315.374 -2.132 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001125220890 779609352 /nfs/dbraw/zinc/60/93/52/779609352.db2.gz MCVBJQAARZQIMO-JTQLQIEISA-N 2 1 308.404 -2.428 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001125220890 779609358 /nfs/dbraw/zinc/60/93/58/779609358.db2.gz MCVBJQAARZQIMO-JTQLQIEISA-N 2 1 308.404 -2.428 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001125215034 779609781 /nfs/dbraw/zinc/60/97/81/779609781.db2.gz ZOBRMKOEKGDDIK-NSHDSACASA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001125215034 779609782 /nfs/dbraw/zinc/60/97/82/779609782.db2.gz ZOBRMKOEKGDDIK-NSHDSACASA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151049478 779668924 /nfs/dbraw/zinc/66/89/24/779668924.db2.gz QBWPMLDWBAZSDZ-LLVKDONJSA-N 2 1 308.386 -1.034 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001151049478 779668927 /nfs/dbraw/zinc/66/89/27/779668927.db2.gz QBWPMLDWBAZSDZ-LLVKDONJSA-N 2 1 308.386 -1.034 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049619 779669538 /nfs/dbraw/zinc/66/95/38/779669538.db2.gz UPXRZFGYXRRLAB-GFCCVEGCSA-N 2 1 300.403 -1.203 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151049809 779670447 /nfs/dbraw/zinc/67/04/47/779670447.db2.gz ZKABORUWFRAGSY-NSHDSACASA-N 2 1 311.386 -2.398 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151066366 779670585 /nfs/dbraw/zinc/67/05/85/779670585.db2.gz UBXRKTGQVLQAQE-NSHDSACASA-N 2 1 311.386 -1.414 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151049819 779670637 /nfs/dbraw/zinc/67/06/37/779670637.db2.gz ZMCWQVLUAGTWAB-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001151064967 779671699 /nfs/dbraw/zinc/67/16/99/779671699.db2.gz GJVPUUIEOZFCPS-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151049816 779671795 /nfs/dbraw/zinc/67/17/95/779671795.db2.gz ZMCWQVLUAGTWAB-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001151740915 779682640 /nfs/dbraw/zinc/68/26/40/779682640.db2.gz ZKMFUNOKKYUYOY-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001151740915 779682643 /nfs/dbraw/zinc/68/26/43/779682643.db2.gz ZKMFUNOKKYUYOY-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001151748686 779683624 /nfs/dbraw/zinc/68/36/24/779683624.db2.gz HRMPVNHOSTVSMA-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001151748686 779683628 /nfs/dbraw/zinc/68/36/28/779683628.db2.gz HRMPVNHOSTVSMA-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152439423 779693435 /nfs/dbraw/zinc/69/34/35/779693435.db2.gz LQDJEKLJXLPVMF-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP Cn1nnc2c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ncn2c1=O ZINC001152754395 779697843 /nfs/dbraw/zinc/69/78/43/779697843.db2.gz DZDANDCVXFNQTO-UHFFFAOYSA-N 2 1 307.318 -2.102 20 0 DAADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144502 779738774 /nfs/dbraw/zinc/73/87/74/779738774.db2.gz DKVZWUIQDCYISI-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144502 779738780 /nfs/dbraw/zinc/73/87/80/779738780.db2.gz DKVZWUIQDCYISI-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001156146085 779740220 /nfs/dbraw/zinc/74/02/20/779740220.db2.gz STFXVDRQPIAJET-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001156146085 779740227 /nfs/dbraw/zinc/74/02/27/779740227.db2.gz STFXVDRQPIAJET-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001156144906 779740488 /nfs/dbraw/zinc/74/04/88/779740488.db2.gz GYZCEIPWKCFCCE-WDEREUQCSA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001156144906 779740492 /nfs/dbraw/zinc/74/04/92/779740492.db2.gz GYZCEIPWKCFCCE-WDEREUQCSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890569 779745815 /nfs/dbraw/zinc/74/58/15/779745815.db2.gz PCKWVNHXDLGIGM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890569 779745823 /nfs/dbraw/zinc/74/58/23/779745823.db2.gz PCKWVNHXDLGIGM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890569 779745826 /nfs/dbraw/zinc/74/58/26/779745826.db2.gz PCKWVNHXDLGIGM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890569 779745830 /nfs/dbraw/zinc/74/58/30/779745830.db2.gz PCKWVNHXDLGIGM-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157082047 779748376 /nfs/dbraw/zinc/74/83/76/779748376.db2.gz GKRIMHPIBFHSKR-RYUDHWBXSA-N 2 1 321.381 -1.191 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862214 779760212 /nfs/dbraw/zinc/76/02/12/779760212.db2.gz CDPCLVSQVXOKHJ-LBPRGKRZSA-N 2 1 323.397 -1.903 20 0 DAADMP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093518 779765251 /nfs/dbraw/zinc/76/52/51/779765251.db2.gz WOWUSGYDWJWUOF-WBMJQRKESA-N 2 1 321.425 -1.449 20 0 DAADMP Cn1nc2c(c1C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)C[NH2+]C2 ZINC001158111635 779768650 /nfs/dbraw/zinc/76/86/50/779768650.db2.gz PLXORIAACFQUHS-AWEZNQCLSA-N 2 1 304.354 -1.673 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111497 779768835 /nfs/dbraw/zinc/76/88/35/779768835.db2.gz ONUQVUBQIWAHHH-IAQYHMDHSA-N 2 1 318.381 -1.782 20 0 DAADMP N[C@H]1C[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277662 779772498 /nfs/dbraw/zinc/77/24/98/779772498.db2.gz REFQPQAEQIHOQT-MNOVXSKESA-N 2 1 305.386 -1.612 20 0 DAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277663 779772660 /nfs/dbraw/zinc/77/26/60/779772660.db2.gz REFQPQAEQIHOQT-QWRGUYRKSA-N 2 1 305.386 -1.612 20 0 DAADMP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001158235731 779772771 /nfs/dbraw/zinc/77/27/71/779772771.db2.gz PEEUGLXJJJUXEB-NHYWBVRUSA-N 2 1 311.382 -1.024 20 0 DAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486821 779776656 /nfs/dbraw/zinc/77/66/56/779776656.db2.gz SAQXHNPGSZZPJP-RYUDHWBXSA-N 2 1 323.401 -1.331 20 0 DAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486819 779777052 /nfs/dbraw/zinc/77/70/52/779777052.db2.gz SAQXHNPGSZZPJP-NEPJUHHUSA-N 2 1 323.401 -1.331 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545945 779778318 /nfs/dbraw/zinc/77/83/18/779778318.db2.gz HULXHULILSWQBT-FIXISWKDSA-N 2 1 318.381 -1.026 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001158890184 779781245 /nfs/dbraw/zinc/78/12/45/779781245.db2.gz BDNRYNJYOGJDKC-JSGCOSHPSA-N 2 1 324.425 -1.088 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967486 779781695 /nfs/dbraw/zinc/78/16/95/779781695.db2.gz AHZRAKWNCNMHLN-TUAOUCFPSA-N 2 1 306.370 -1.431 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001158891179 779782274 /nfs/dbraw/zinc/78/22/74/779782274.db2.gz VOJQSFPCLQAEBX-INIZCTEOSA-N 2 1 323.441 -1.120 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001158890186 779782294 /nfs/dbraw/zinc/78/22/94/779782294.db2.gz BDNRYNJYOGJDKC-OCCSQVGLSA-N 2 1 324.425 -1.088 20 0 DAADMP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]32)nn1 ZINC001159297836 779791420 /nfs/dbraw/zinc/79/14/20/779791420.db2.gz PEMCHQHIXQBWOK-XQQFMLRXSA-N 2 1 320.397 -1.123 20 0 DAADMP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]2S1(=O)=O ZINC001159404425 779794283 /nfs/dbraw/zinc/79/42/83/779794283.db2.gz RCORFWXGAHZRAO-GRYCIOLGSA-N 2 1 318.443 -1.065 20 0 DAADMP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159520378 779794746 /nfs/dbraw/zinc/79/47/46/779794746.db2.gz VISQKGOAXNSBBR-NSHDSACASA-N 2 1 323.401 -1.335 20 0 DAADMP OC[C@H]1C[NH2+]C[C@@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159678943 779796343 /nfs/dbraw/zinc/79/63/43/779796343.db2.gz AKEYDZCVQSLSAI-PWSUYJOCSA-N 2 1 320.397 -1.091 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1 ZINC001160652523 779815362 /nfs/dbraw/zinc/81/53/62/779815362.db2.gz FJKDQZHBUNZOAX-UPJWGTAASA-N 3 1 312.414 -1.640 20 0 DAADMP CN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1 ZINC001160652523 779815366 /nfs/dbraw/zinc/81/53/66/779815366.db2.gz FJKDQZHBUNZOAX-UPJWGTAASA-N 2 1 312.414 -1.640 20 0 DAADMP CS(=O)(=O)NC1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001160661821 779815452 /nfs/dbraw/zinc/81/54/52/779815452.db2.gz RTBNICFTGYDPKN-LLVKDONJSA-N 2 1 319.431 -2.503 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3COC[NH2+]3)C[C@H]1C2 ZINC001160791931 779819536 /nfs/dbraw/zinc/81/95/36/779819536.db2.gz IQJWJNZSWMZDCJ-TVEHIPJCSA-N 2 1 309.366 -1.211 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]1C2 ZINC001160794907 779820048 /nfs/dbraw/zinc/82/00/48/779820048.db2.gz ROYJFTSHXACWOU-TXACCCEWSA-N 2 1 322.409 -1.467 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)C[C@H]1C2 ZINC001160797683 779820299 /nfs/dbraw/zinc/82/02/99/779820299.db2.gz ROYJFTSHXACWOU-RQXQIDNZSA-N 2 1 322.409 -1.467 20 0 DAADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160838805 779821056 /nfs/dbraw/zinc/82/10/56/779821056.db2.gz MAFWNCOXUHGIQO-UONOGXRCSA-N 2 1 313.446 -1.474 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850813 779822077 /nfs/dbraw/zinc/82/20/77/779822077.db2.gz IJUZSOUOWBUHRC-FRRDWIJNSA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850813 779822080 /nfs/dbraw/zinc/82/20/80/779822080.db2.gz IJUZSOUOWBUHRC-FRRDWIJNSA-N 2 1 303.403 -1.191 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010445 779824130 /nfs/dbraw/zinc/82/41/30/779824130.db2.gz JTZUILBVIDHMJI-LLVKDONJSA-N 2 1 306.370 -1.290 20 0 DAADMP CCOC(=O)CN(CCC[NH3+])C(=O)c1nnn2c1C[NH2+]CC2 ZINC001161158417 779829895 /nfs/dbraw/zinc/82/98/95/779829895.db2.gz HDSYYIINUZBUAM-UHFFFAOYSA-N 2 1 310.358 -1.265 20 0 DAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(c2ncncn2)CC1 ZINC001161247398 779833105 /nfs/dbraw/zinc/83/31/05/779833105.db2.gz GIFNHQSARPAQPS-UHFFFAOYSA-N 2 1 305.386 -1.138 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)CN3CCNCC3=O)C2)CC1 ZINC001161376550 779834857 /nfs/dbraw/zinc/83/48/57/779834857.db2.gz AOWFYNZDSXKZPC-ZDUSSCGKSA-N 2 1 309.414 -1.558 20 0 DAADMP [NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378912 779835322 /nfs/dbraw/zinc/83/53/22/779835322.db2.gz NXZBSTCEINAXSB-ZIYVKSGCSA-N 3 1 309.414 -1.359 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1 ZINC001161379970 779835427 /nfs/dbraw/zinc/83/54/27/779835427.db2.gz SKAFVKCWYUAKHH-KBPBESRZSA-N 4 1 307.442 -1.181 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C2)CC1 ZINC001161380357 779835536 /nfs/dbraw/zinc/83/55/36/779835536.db2.gz UXVRGGTVTPAKCQ-TZMCWYRMSA-N 3 1 321.425 -1.512 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510658 779839967 /nfs/dbraw/zinc/83/99/67/779839967.db2.gz QOWKESMXYJYGAW-QWHCGFSZSA-N 3 1 324.425 -1.375 20 0 DAADMP CN1C[C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510658 779839976 /nfs/dbraw/zinc/83/99/76/779839976.db2.gz QOWKESMXYJYGAW-QWHCGFSZSA-N 2 1 324.425 -1.375 20 0 DAADMP C[N@@H+](C1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1 ZINC001161499102 779841092 /nfs/dbraw/zinc/84/10/92/779841092.db2.gz NRHSDTAIDDAKDK-WCQYABFASA-N 2 1 310.398 -1.752 20 0 DAADMP [NH3+][C@@H]1NCN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2NCN[C@H]21 ZINC001162441489 779857034 /nfs/dbraw/zinc/85/70/34/779857034.db2.gz YGKZJTAWKITPJR-XQQFMLRXSA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162441488 779857698 /nfs/dbraw/zinc/85/76/98/779857698.db2.gz YGKZJTAWKITPJR-UPJWGTAASA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162445691 779858719 /nfs/dbraw/zinc/85/87/19/779858719.db2.gz GLCUXVCTPLPBPS-UPJWGTAASA-N 2 1 309.805 -1.122 20 0 DAADMP [NH3+][C@@H]1NCN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2NCN[C@@H]21 ZINC001162446956 779860254 /nfs/dbraw/zinc/86/02/54/779860254.db2.gz KINSPCOUXFKUSN-JHJVBQTASA-N 2 1 304.402 -1.560 20 0 DAADMP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872261 779862617 /nfs/dbraw/zinc/86/26/17/779862617.db2.gz MHWGDGZNGOYOSF-BTJONVMOSA-N 2 1 322.409 -1.166 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001162872209 779863011 /nfs/dbraw/zinc/86/30/11/779863011.db2.gz KMUGQIZGOKEUIF-DILZAHMFSA-N 2 1 310.398 -1.181 20 0 DAADMP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872264 779863169 /nfs/dbraw/zinc/86/31/69/779863169.db2.gz MHWGDGZNGOYOSF-WULFKBJJSA-N 2 1 322.409 -1.166 20 0 DAADMP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872263 779863520 /nfs/dbraw/zinc/86/35/20/779863520.db2.gz MHWGDGZNGOYOSF-LGESCRJUSA-N 2 1 322.409 -1.166 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872031 779863687 /nfs/dbraw/zinc/86/36/87/779863687.db2.gz DMICBVFHJPBWTE-AVERBVTBSA-N 2 1 310.398 -1.309 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535734 779878959 /nfs/dbraw/zinc/87/89/59/779878959.db2.gz CUWWGFYZYDXACL-GFCCVEGCSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166667923 779892448 /nfs/dbraw/zinc/89/24/48/779892448.db2.gz LKNAUPWYWPCLNV-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP NC(=O)[C@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)CC[NH2+]1 ZINC001166724331 779892522 /nfs/dbraw/zinc/89/25/22/779892522.db2.gz OQBAWVCWLSUBDV-LLVKDONJSA-N 2 1 306.370 -1.129 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001207733864 779924671 /nfs/dbraw/zinc/92/46/71/779924671.db2.gz ABZFFRMKQWYVBX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001207733864 779924675 /nfs/dbraw/zinc/92/46/75/779924675.db2.gz ABZFFRMKQWYVBX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444652 779939537 /nfs/dbraw/zinc/93/95/37/779939537.db2.gz GOARMAMRQCXPPB-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444652 779939544 /nfs/dbraw/zinc/93/95/44/779939544.db2.gz GOARMAMRQCXPPB-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211065744 779967020 /nfs/dbraw/zinc/96/70/20/779967020.db2.gz ZDLWAZXCYAUUIA-GHMZBOCLSA-N 2 1 311.386 -1.286 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211089829 779968075 /nfs/dbraw/zinc/96/80/75/779968075.db2.gz ASEZSWLGMDOEKL-LLVKDONJSA-N 2 1 322.369 -1.033 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211089834 779968182 /nfs/dbraw/zinc/96/81/82/779968182.db2.gz ASEZSWLGMDOEKL-NSHDSACASA-N 2 1 322.369 -1.033 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)ncn2)CC1 ZINC001218573413 780035106 /nfs/dbraw/zinc/03/51/06/780035106.db2.gz WUECBEVBROEGKZ-QWRGUYRKSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@]3(N)CC[NH2+]C3)ncn2)CC1 ZINC001218572201 780035185 /nfs/dbraw/zinc/03/51/85/780035185.db2.gz GREIOGOMRRVERX-AWEZNQCLSA-N 2 1 305.386 -1.142 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@]3(N)CC[NH2+]C3)cn2)CC1 ZINC001218580804 780035380 /nfs/dbraw/zinc/03/53/80/780035380.db2.gz XGSJTJLURZUHQL-AWEZNQCLSA-N 2 1 305.386 -1.142 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[NH2+]C[C@H]3O)ncn2)CC1 ZINC001218573580 780035638 /nfs/dbraw/zinc/03/56/38/780035638.db2.gz ZESFXOKKNBJRQY-WDEREUQCSA-N 2 1 306.370 -1.253 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC2(C[NH2+]C2)C1 ZINC001219678101 780130044 /nfs/dbraw/zinc/13/00/44/780130044.db2.gz CLFGOJRZOLUYKH-UHFFFAOYSA-N 2 1 316.427 -1.663 20 0 DAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676123 780130324 /nfs/dbraw/zinc/13/03/24/780130324.db2.gz ADULBLQZAPUTPU-JTQLQIEISA-N 3 1 307.420 -2.596 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671597 780130851 /nfs/dbraw/zinc/13/08/51/780130851.db2.gz KUWZGAKKAHPUPO-GHMZBOCLSA-N 2 1 304.416 -1.960 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219676387 780132087 /nfs/dbraw/zinc/13/20/87/780132087.db2.gz IHRWCYJEDRMEQY-QWRGUYRKSA-N 2 1 322.406 -1.572 20 0 DAADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219676712 780132206 /nfs/dbraw/zinc/13/22/06/780132206.db2.gz UMTHRMCGLXHTMA-RYUDHWBXSA-N 2 1 318.443 -1.274 20 0 DAADMP C[C@]1(CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219676678 780132307 /nfs/dbraw/zinc/13/23/07/780132307.db2.gz SQHCDQXHOGBQDL-CYBMUJFWSA-N 2 1 318.443 -1.273 20 0 DAADMP [NH3+]C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC(F)C1 ZINC001219678070 780132358 /nfs/dbraw/zinc/13/23/58/780132358.db2.gz BGUKETXPMKETFQ-UHFFFAOYSA-N 2 1 308.379 -1.833 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001219676725 780132427 /nfs/dbraw/zinc/13/24/27/780132427.db2.gz UTRLQTZCIVEVJW-WDEREUQCSA-N 2 1 320.415 -2.692 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@H](F)C1 ZINC001219676371 780132680 /nfs/dbraw/zinc/13/26/80/780132680.db2.gz HZSZRDQRBYPXLG-GHMZBOCLSA-N 2 1 322.406 -1.715 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219676636 780132904 /nfs/dbraw/zinc/13/29/04/780132904.db2.gz RONDACVWEKMNGZ-NXEZZACHSA-N 2 1 306.388 -2.940 20 0 DAADMP O=C(C[C@H]1C[NH2+]CCO1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678142 780132840 /nfs/dbraw/zinc/13/28/40/780132840.db2.gz FFIWCOPEGZIAEK-NSHDSACASA-N 2 1 320.415 -2.284 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219678541 780133588 /nfs/dbraw/zinc/13/35/88/780133588.db2.gz SDNNPXDHNQMXKG-UWVGGRQHSA-N 2 1 306.388 -2.940 20 0 DAADMP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678556 780134377 /nfs/dbraw/zinc/13/43/77/780134377.db2.gz SOMDPSJJLBZONV-NWDGAFQWSA-N 2 1 320.459 -1.028 20 0 DAADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678533 780134599 /nfs/dbraw/zinc/13/45/99/780134599.db2.gz RTISQCVLLIBYKT-NSHDSACASA-N 2 1 318.443 -1.417 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC001219678330 780134764 /nfs/dbraw/zinc/13/47/64/780134764.db2.gz LAQYUGICDYBLMN-GMTAPVOTSA-N 2 1 302.400 -2.055 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739042 780140661 /nfs/dbraw/zinc/14/06/61/780140661.db2.gz GABSUDSSXCRTKH-CHWSQXEVSA-N 2 1 311.430 -1.769 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219764564 780144779 /nfs/dbraw/zinc/14/47/79/780144779.db2.gz ICFVWNZTFFXMGS-HGTKMLMNSA-N 3 1 307.442 -1.405 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219764564 780144787 /nfs/dbraw/zinc/14/47/87/780144787.db2.gz ICFVWNZTFFXMGS-HGTKMLMNSA-N 3 1 307.442 -1.405 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771980 780146102 /nfs/dbraw/zinc/14/61/02/780146102.db2.gz VBRPHPZUFKJKAO-JSGCOSHPSA-N 2 1 301.410 -1.055 20 0 DAADMP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766535 780146824 /nfs/dbraw/zinc/14/68/24/780146824.db2.gz VWPKCGSLVYJODE-XJFOESAGSA-N 2 1 310.398 -1.453 20 0 DAADMP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766535 780146830 /nfs/dbraw/zinc/14/68/30/780146830.db2.gz VWPKCGSLVYJODE-XJFOESAGSA-N 2 1 310.398 -1.453 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802652 780147707 /nfs/dbraw/zinc/14/77/07/780147707.db2.gz YUQRVYWFUNFSSL-UPJWGTAASA-N 2 1 315.414 -1.361 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCC1 ZINC001219798367 780148614 /nfs/dbraw/zinc/14/86/14/780148614.db2.gz JVMKTYHTHBXSRQ-OLZOCXBDSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCC1 ZINC001219798367 780148620 /nfs/dbraw/zinc/14/86/20/780148620.db2.gz JVMKTYHTHBXSRQ-OLZOCXBDSA-N 2 1 322.413 -1.076 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001219798294 780148830 /nfs/dbraw/zinc/14/88/30/780148830.db2.gz IKZLVWFHUXNMNY-OLZOCXBDSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001219798294 780148835 /nfs/dbraw/zinc/14/88/35/780148835.db2.gz IKZLVWFHUXNMNY-OLZOCXBDSA-N 2 1 315.414 -1.359 20 0 DAADMP O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806452 780150206 /nfs/dbraw/zinc/15/02/06/780150206.db2.gz XAEWKOJVGSOSTH-LBPRGKRZSA-N 2 1 321.381 -1.269 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807632 780150346 /nfs/dbraw/zinc/15/03/46/780150346.db2.gz JZCRPCIDWFSQFK-LBPRGKRZSA-N 2 1 320.397 -1.744 20 0 DAADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001219813723 780152331 /nfs/dbraw/zinc/15/23/31/780152331.db2.gz BBEUWNFDRCXTKX-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001219813723 780152339 /nfs/dbraw/zinc/15/23/39/780152339.db2.gz BBEUWNFDRCXTKX-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001219813723 780152348 /nfs/dbraw/zinc/15/23/48/780152348.db2.gz BBEUWNFDRCXTKX-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001219813723 780152357 /nfs/dbraw/zinc/15/23/57/780152357.db2.gz BBEUWNFDRCXTKX-KGLIPLIRSA-N 2 1 315.414 -1.359 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833349 780153486 /nfs/dbraw/zinc/15/34/86/780153486.db2.gz CCQDRARTRBEHJU-WHOFXGATSA-N 2 1 323.397 -1.209 20 0 DAADMP C[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)COCC[NH2+]1 ZINC001219838207 780154867 /nfs/dbraw/zinc/15/48/67/780154867.db2.gz ORGNFNKKPNWAFO-CFVMTHIKSA-N 2 1 313.398 -1.124 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001219902721 780160434 /nfs/dbraw/zinc/16/04/34/780160434.db2.gz IDTDPDUNAYLFHD-XQQFMLRXSA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219902721 780160439 /nfs/dbraw/zinc/16/04/39/780160439.db2.gz IDTDPDUNAYLFHD-XQQFMLRXSA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219902721 780160445 /nfs/dbraw/zinc/16/04/45/780160445.db2.gz IDTDPDUNAYLFHD-XQQFMLRXSA-N 2 1 317.430 -1.115 20 0 DAADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219902689 780160624 /nfs/dbraw/zinc/16/06/24/780160624.db2.gz HFPQIMFRUFBAGR-OLZOCXBDSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219902689 780160632 /nfs/dbraw/zinc/16/06/32/780160632.db2.gz HFPQIMFRUFBAGR-OLZOCXBDSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219902689 780160638 /nfs/dbraw/zinc/16/06/38/780160638.db2.gz HFPQIMFRUFBAGR-OLZOCXBDSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219902689 780160645 /nfs/dbraw/zinc/16/06/45/780160645.db2.gz HFPQIMFRUFBAGR-OLZOCXBDSA-N 2 1 317.430 -1.113 20 0 DAADMP Cc1[nH+]ccn1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219934360 780163499 /nfs/dbraw/zinc/16/34/99/780163499.db2.gz BCBXBSCKGGZKJM-UHFFFAOYSA-N 2 1 303.388 -1.472 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945806 780165998 /nfs/dbraw/zinc/16/59/98/780165998.db2.gz TZDASZRPNBBVLQ-WDEREUQCSA-N 2 1 302.400 -1.836 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945804 780166342 /nfs/dbraw/zinc/16/63/42/780166342.db2.gz TZDASZRPNBBVLQ-MNOVXSKESA-N 2 1 302.400 -1.836 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NC1CCCC1 ZINC001219977194 780169016 /nfs/dbraw/zinc/16/90/16/780169016.db2.gz UOURFZVUTKDDRI-CYBMUJFWSA-N 2 1 311.430 -1.088 20 0 DAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NC1CCCC1 ZINC001219977195 780169220 /nfs/dbraw/zinc/16/92/20/780169220.db2.gz UOURFZVUTKDDRI-ZDUSSCGKSA-N 2 1 311.430 -1.088 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230990 780192731 /nfs/dbraw/zinc/19/27/31/780192731.db2.gz WKXIHFHAROKKCD-UPJWGTAASA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220231029 780193092 /nfs/dbraw/zinc/19/30/92/780193092.db2.gz XDZAYDKAXCQVDX-OLZOCXBDSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220231029 780193096 /nfs/dbraw/zinc/19/30/96/780193096.db2.gz XDZAYDKAXCQVDX-OLZOCXBDSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220253883 780196872 /nfs/dbraw/zinc/19/68/72/780196872.db2.gz GKTZVLKYWBPLAQ-AXFHLTTASA-N 2 1 313.402 -1.706 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001220429212 780214394 /nfs/dbraw/zinc/21/43/94/780214394.db2.gz NMRWDCNUNUDIRH-CHWSQXEVSA-N 3 1 312.414 -1.456 20 0 DAADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429212 780214402 /nfs/dbraw/zinc/21/44/02/780214402.db2.gz NMRWDCNUNUDIRH-CHWSQXEVSA-N 2 1 312.414 -1.456 20 0 DAADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2COCCN2)OC2(CC[NH2+]CC2)C1 ZINC001220429212 780214407 /nfs/dbraw/zinc/21/44/07/780214407.db2.gz NMRWDCNUNUDIRH-CHWSQXEVSA-N 2 1 312.414 -1.456 20 0 DAADMP COCCOCCOCCOCCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220514195 780219891 /nfs/dbraw/zinc/21/98/91/780219891.db2.gz APAGJGRHTBZJOX-LBPRGKRZSA-N 2 1 307.391 -1.525 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220583319 780230179 /nfs/dbraw/zinc/23/01/79/780230179.db2.gz UALNDHPCHUYYHB-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716752 780241681 /nfs/dbraw/zinc/24/16/81/780241681.db2.gz QKRSYADCNHFQGG-NWBUJAPZSA-N 2 1 312.414 -1.058 20 0 DAADMP COCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764307 780245028 /nfs/dbraw/zinc/24/50/28/780245028.db2.gz GHDJOXWVRUYYKJ-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764728 780245779 /nfs/dbraw/zinc/24/57/79/780245779.db2.gz UKKVTTXYVDWQGE-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764470 780246025 /nfs/dbraw/zinc/24/60/25/780246025.db2.gz MDYGCNBGKCSMIN-UPJWGTAASA-N 2 1 303.403 -1.239 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220826234 780251416 /nfs/dbraw/zinc/25/14/16/780251416.db2.gz TUQBTSBRGAGUJA-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220826234 780251418 /nfs/dbraw/zinc/25/14/18/780251418.db2.gz TUQBTSBRGAGUJA-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220826234 780251420 /nfs/dbraw/zinc/25/14/20/780251420.db2.gz TUQBTSBRGAGUJA-KGLIPLIRSA-N 2 1 317.430 -1.112 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874365 780253899 /nfs/dbraw/zinc/25/38/99/780253899.db2.gz GWNRYVLGMNTNCQ-UHFFFAOYSA-N 2 1 321.403 -3.245 20 0 DAADMP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872099 780254028 /nfs/dbraw/zinc/25/40/28/780254028.db2.gz KFWIHXVQFRBWQL-CYBMUJFWSA-N 2 1 306.366 -1.190 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220875259 780254478 /nfs/dbraw/zinc/25/44/78/780254478.db2.gz ZPOBMBSPUHHQKX-ZIAGYGMSSA-N 2 1 323.441 -1.392 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220874375 780254916 /nfs/dbraw/zinc/25/49/16/780254916.db2.gz HQQYZOCFQWJHGM-UONOGXRCSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220874376 780255181 /nfs/dbraw/zinc/25/51/81/780255181.db2.gz HQQYZOCFQWJHGM-ZIAGYGMSSA-N 2 1 323.441 -1.249 20 0 DAADMP NC(=O)NCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872114 780255531 /nfs/dbraw/zinc/25/55/31/780255531.db2.gz KMGZQMUFZKZWPP-VIFPVBQESA-N 2 1 300.363 -2.690 20 0 DAADMP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])Cc1c[nH]cn1)N(O)N=O ZINC001220900228 780256723 /nfs/dbraw/zinc/25/67/23/780256723.db2.gz DUTKBPKKKATMRB-SECBINFHSA-N 2 1 300.323 -2.056 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900505 780257075 /nfs/dbraw/zinc/25/70/75/780257075.db2.gz LFZWUXQRLJHWQD-QMMMGPOBSA-N 2 1 306.323 -2.069 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220976271 780264174 /nfs/dbraw/zinc/26/41/74/780264174.db2.gz RPXCWVJIIWBVNQ-XQQFMLRXSA-N 2 1 301.387 -1.892 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220976271 780264178 /nfs/dbraw/zinc/26/41/78/780264178.db2.gz RPXCWVJIIWBVNQ-XQQFMLRXSA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220976271 780264182 /nfs/dbraw/zinc/26/41/82/780264182.db2.gz RPXCWVJIIWBVNQ-XQQFMLRXSA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220976271 780264186 /nfs/dbraw/zinc/26/41/86/780264186.db2.gz RPXCWVJIIWBVNQ-XQQFMLRXSA-N 2 1 301.387 -1.892 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220976270 780264376 /nfs/dbraw/zinc/26/43/76/780264376.db2.gz RPXCWVJIIWBVNQ-UPJWGTAASA-N 2 1 301.387 -1.892 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001220976270 780264382 /nfs/dbraw/zinc/26/43/82/780264382.db2.gz RPXCWVJIIWBVNQ-UPJWGTAASA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220976270 780264390 /nfs/dbraw/zinc/26/43/90/780264390.db2.gz RPXCWVJIIWBVNQ-UPJWGTAASA-N 2 1 301.387 -1.892 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001220976270 780264398 /nfs/dbraw/zinc/26/43/98/780264398.db2.gz RPXCWVJIIWBVNQ-UPJWGTAASA-N 2 1 301.387 -1.892 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001221091857 780276174 /nfs/dbraw/zinc/27/61/74/780276174.db2.gz YMUOHOUPKWYMBZ-OLZOCXBDSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001221091857 780276182 /nfs/dbraw/zinc/27/61/82/780276182.db2.gz YMUOHOUPKWYMBZ-OLZOCXBDSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221091857 780276188 /nfs/dbraw/zinc/27/61/88/780276188.db2.gz YMUOHOUPKWYMBZ-OLZOCXBDSA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221091857 780276196 /nfs/dbraw/zinc/27/61/96/780276196.db2.gz YMUOHOUPKWYMBZ-OLZOCXBDSA-N 2 1 303.403 -1.503 20 0 DAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001221190196 780283655 /nfs/dbraw/zinc/28/36/55/780283655.db2.gz FFNNZHSDUJBAGC-RYUDHWBXSA-N 2 1 315.418 -1.867 20 0 DAADMP C[NH2+][C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[C@@H](C)OC(C)(C)C ZINC001221265831 780287370 /nfs/dbraw/zinc/28/73/70/780287370.db2.gz QDEYFCCTLFUUAK-DGORSVRFSA-N 2 1 314.434 -1.703 20 0 DAADMP C[NH2+][C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[C@@H](C)OC(C)(C)C ZINC001221265833 780287685 /nfs/dbraw/zinc/28/76/85/780287685.db2.gz QDEYFCCTLFUUAK-WTPMCQDGSA-N 2 1 314.434 -1.703 20 0 DAADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265566 780288467 /nfs/dbraw/zinc/28/84/67/780288467.db2.gz MOXIVIWZMNYLDV-KXGXSXBTSA-N 2 1 300.407 -1.962 20 0 DAADMP C[NH+]1CCC(CO)(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001221407365 780295375 /nfs/dbraw/zinc/29/53/75/780295375.db2.gz YEUUJABMZQSQNP-CYBMUJFWSA-N 2 1 313.446 -1.690 20 0 DAADMP O=C1NCC[C@@]12CN(Cc1cnc3n1CC[NH2+]C3)CC21C[NH2+]C1 ZINC001222527702 780311485 /nfs/dbraw/zinc/31/14/85/780311485.db2.gz PMBZNFFERAOSLG-MRXNPFEDSA-N 2 1 316.409 -1.102 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226554373 780334341 /nfs/dbraw/zinc/33/43/41/780334341.db2.gz LDMXECGDIUFIIF-NSHDSACASA-N 2 1 311.386 -1.144 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226554373 780334343 /nfs/dbraw/zinc/33/43/43/780334343.db2.gz LDMXECGDIUFIIF-NSHDSACASA-N 2 1 311.386 -1.144 20 0 DAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])O1 ZINC001235992591 780419904 /nfs/dbraw/zinc/41/99/04/780419904.db2.gz LFVNUEPNMPORQK-WSHFTOBISA-N 2 1 316.398 -1.235 20 0 DAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])O1 ZINC001235992591 780419912 /nfs/dbraw/zinc/41/99/12/780419912.db2.gz LFVNUEPNMPORQK-WSHFTOBISA-N 2 1 316.398 -1.235 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC[C@H]1C[NH2+]CCO1 ZINC001236307377 780419937 /nfs/dbraw/zinc/41/99/37/780419937.db2.gz BFPAQKUBUGIIDI-ZDUSSCGKSA-N 4 1 301.435 -1.519 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC[C@H]1C[NH2+]CCO1 ZINC001236307377 780419940 /nfs/dbraw/zinc/41/99/40/780419940.db2.gz BFPAQKUBUGIIDI-ZDUSSCGKSA-N 4 1 301.435 -1.519 20 0 DAADMP c1nc2n(c1CN1CC[NH2+]CCNCC[NH2+]CC1)CC[NH2+]C2 ZINC001235874557 780420268 /nfs/dbraw/zinc/42/02/68/780420268.db2.gz KPAMWXVYLGOCJU-UHFFFAOYSA-N 3 1 307.446 -1.429 20 0 DAADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001239131091 780444128 /nfs/dbraw/zinc/44/41/28/780444128.db2.gz ZORDKBIZOJQQKY-GMTAPVOTSA-N 2 1 305.400 -1.110 20 0 DAADMP O=C(CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)N1CCNCC1 ZINC001245981145 780447733 /nfs/dbraw/zinc/44/77/33/780447733.db2.gz GJILNDFZQZSAFO-ZDUSSCGKSA-N 2 1 314.430 -1.737 20 0 DAADMP COC(=O)[C@H](CCCC[NH3+])NC[C@H](O)C[NH+]1CCOCC1 ZINC001245977564 780447824 /nfs/dbraw/zinc/44/78/24/780447824.db2.gz GTIFKHOHWRXKEG-STQMWFEESA-N 2 1 303.403 -1.060 20 0 DAADMP O=c1cc(CNC[C@@]2(O)CCC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001245987295 780448051 /nfs/dbraw/zinc/44/80/51/780448051.db2.gz YQBNLNKSNKCBSO-OAHLLOKOSA-N 2 1 307.398 -1.059 20 0 DAADMP O=C(CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)N1CCNCC1 ZINC001245981144 780448108 /nfs/dbraw/zinc/44/81/08/780448108.db2.gz GJILNDFZQZSAFO-CYBMUJFWSA-N 2 1 314.430 -1.737 20 0 DAADMP CCCOC[C@H](O)C[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001245993639 780448346 /nfs/dbraw/zinc/44/83/46/780448346.db2.gz OFINTJDARWWYRM-GFCCVEGCSA-N 2 1 309.432 -1.402 20 0 DAADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246046894 780449216 /nfs/dbraw/zinc/44/92/16/780449216.db2.gz APCQXTNPHLTQOI-HUUCEWRRSA-N 3 1 312.458 -1.041 20 0 DAADMP O=S(=O)(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246101523 780449480 /nfs/dbraw/zinc/44/94/80/780449480.db2.gz QIFSAWDNOOCPHS-GFCCVEGCSA-N 3 1 317.459 -2.095 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC1(O)CC[NH2+]CC1 ZINC001246053004 780449929 /nfs/dbraw/zinc/44/99/29/780449929.db2.gz NDTCZVGSZDJHIE-UHFFFAOYSA-N 4 1 301.435 -1.783 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC1(O)CC[NH2+]CC1 ZINC001246053004 780449933 /nfs/dbraw/zinc/44/99/33/780449933.db2.gz NDTCZVGSZDJHIE-UHFFFAOYSA-N 4 1 301.435 -1.783 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628588 780455341 /nfs/dbraw/zinc/45/53/41/780455341.db2.gz ODJSSINIICMUKW-PGUXBMHVSA-N 2 1 308.382 -1.699 20 0 DAADMP O=C1NCC[C@@]12C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246626027 780455351 /nfs/dbraw/zinc/45/53/51/780455351.db2.gz JDTABDVXZZCNLV-MLGOLLRUSA-N 3 1 305.426 -1.508 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628590 780455529 /nfs/dbraw/zinc/45/55/29/780455529.db2.gz ODJSSINIICMUKW-RWSFTLGLSA-N 2 1 308.382 -1.699 20 0 DAADMP O=C1NCC[C@@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21C[NH2+]C1 ZINC001246630631 780455578 /nfs/dbraw/zinc/45/55/78/780455578.db2.gz UJRUKKUAHUBYPP-TUURBPCVSA-N 2 1 306.410 -1.083 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246627555 780455694 /nfs/dbraw/zinc/45/56/94/780455694.db2.gz NAVVWFIBKUZQIK-MKBNYLNASA-N 2 1 322.409 -1.309 20 0 DAADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246624341 780455760 /nfs/dbraw/zinc/45/57/60/780455760.db2.gz UMUAKFIERCXDDL-BYCMXARLSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246627554 780455843 /nfs/dbraw/zinc/45/58/43/780455843.db2.gz NAVVWFIBKUZQIK-BFQNTYOBSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246632109 780455959 /nfs/dbraw/zinc/45/59/59/780455959.db2.gz ZEVDOZOVDBTNCW-WQGACYEGSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246632109 780455962 /nfs/dbraw/zinc/45/59/62/780455962.db2.gz ZEVDOZOVDBTNCW-WQGACYEGSA-N 2 1 322.409 -1.309 20 0 DAADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246761875 780456556 /nfs/dbraw/zinc/45/65/56/780456556.db2.gz WNFZWYZMQDWQQK-BBRMVZONSA-N 2 1 321.425 -1.497 20 0 DAADMP O=C([C@@H]1C[C@@H](N2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246671652 780457162 /nfs/dbraw/zinc/45/71/62/780457162.db2.gz HAWVRGJNGQTDCD-XQHKEYJVSA-N 2 1 312.439 -1.078 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670067 780457183 /nfs/dbraw/zinc/45/71/83/780457183.db2.gz WCUQXADBOZIBAL-GUTXKFCHSA-N 2 1 313.398 -1.029 20 0 DAADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773319 780457204 /nfs/dbraw/zinc/45/72/04/780457204.db2.gz AOUUCWPEPRYYBW-VXGBXAGGSA-N 2 1 310.398 -1.166 20 0 DAADMP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246773319 780457208 /nfs/dbraw/zinc/45/72/08/780457208.db2.gz AOUUCWPEPRYYBW-VXGBXAGGSA-N 2 1 310.398 -1.166 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246918961 780458590 /nfs/dbraw/zinc/45/85/90/780458590.db2.gz ICMKXRNLDBCWPF-GFCCVEGCSA-N 4 1 315.487 -1.050 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246918961 780458596 /nfs/dbraw/zinc/45/85/96/780458596.db2.gz ICMKXRNLDBCWPF-GFCCVEGCSA-N 4 1 315.487 -1.050 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1 ZINC001278766328 780483266 /nfs/dbraw/zinc/48/32/66/780483266.db2.gz IVIGRIJZQJOTCY-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766328 780483272 /nfs/dbraw/zinc/48/32/72/780483272.db2.gz IVIGRIJZQJOTCY-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766328 780483279 /nfs/dbraw/zinc/48/32/79/780483279.db2.gz IVIGRIJZQJOTCY-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP O=C(NCCCCn1ccnc1)C(=O)NC[C@H]1COCCN1 ZINC001261819170 780558416 /nfs/dbraw/zinc/55/84/16/780558416.db2.gz RRTFYEFGGJCRDS-LBPRGKRZSA-N 2 1 309.370 -1.116 20 0 DAADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC001261821768 780559916 /nfs/dbraw/zinc/55/99/16/780559916.db2.gz JVXOPJOZXBYXQM-OLZOCXBDSA-N 2 1 313.446 -1.208 20 0 DAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001262067031 780567141 /nfs/dbraw/zinc/56/71/41/780567141.db2.gz QIGJNHHILZPIJQ-CYDGBPFRSA-N 2 1 310.398 -1.181 20 0 DAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001262067034 780567200 /nfs/dbraw/zinc/56/72/00/780567200.db2.gz QIGJNHHILZPIJQ-ZDEQEGDKSA-N 2 1 310.398 -1.181 20 0 DAADMP O=S1(=O)CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001262563172 780575080 /nfs/dbraw/zinc/57/50/80/780575080.db2.gz XBXLRBYXDHCWIW-ZDUSSCGKSA-N 2 1 305.444 -1.237 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000386978558 780583451 /nfs/dbraw/zinc/58/34/51/780583451.db2.gz SBBPMVSVUJTYIC-CABCVRRESA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000386978562 780583591 /nfs/dbraw/zinc/58/35/91/780583591.db2.gz SBBPMVSVUJTYIC-GJZGRUSLSA-N 2 1 300.447 -1.095 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973592 780588403 /nfs/dbraw/zinc/58/84/03/780588403.db2.gz CPOGXEVMFSOHGX-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973592 780588407 /nfs/dbraw/zinc/58/84/07/780588407.db2.gz CPOGXEVMFSOHGX-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973592 780588410 /nfs/dbraw/zinc/58/84/10/780588410.db2.gz CPOGXEVMFSOHGX-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973592 780588413 /nfs/dbraw/zinc/58/84/13/780588413.db2.gz CPOGXEVMFSOHGX-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001265027214 780590315 /nfs/dbraw/zinc/59/03/15/780590315.db2.gz JIMFNAXQUMYHTI-UHFFFAOYSA-N 2 1 313.402 -1.039 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966882 780616505 /nfs/dbraw/zinc/61/65/05/780616505.db2.gz INWTYWXPPCJUHL-KBPBESRZSA-N 2 1 315.414 -1.236 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966882 780616510 /nfs/dbraw/zinc/61/65/10/780616510.db2.gz INWTYWXPPCJUHL-KBPBESRZSA-N 2 1 315.414 -1.236 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](C)O)C1 ZINC001279911989 780630081 /nfs/dbraw/zinc/63/00/81/780630081.db2.gz PZLXXZKKMGUSLH-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](C)O)C1 ZINC001279911989 780630085 /nfs/dbraw/zinc/63/00/85/780630085.db2.gz PZLXXZKKMGUSLH-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCNS(C)(=O)=O ZINC001281769970 780691567 /nfs/dbraw/zinc/69/15/67/780691567.db2.gz BMIJLOHWAPJGRN-RYUDHWBXSA-N 2 1 320.459 -1.028 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001282959646 780726577 /nfs/dbraw/zinc/72/65/77/780726577.db2.gz NZUODVZAWOGYET-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001282959646 780726584 /nfs/dbraw/zinc/72/65/84/780726584.db2.gz NZUODVZAWOGYET-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001282959646 780726591 /nfs/dbraw/zinc/72/65/91/780726591.db2.gz NZUODVZAWOGYET-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001282959646 780726595 /nfs/dbraw/zinc/72/65/95/780726595.db2.gz NZUODVZAWOGYET-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001284893482 780843919 /nfs/dbraw/zinc/84/39/19/780843919.db2.gz QSTBWRLPNADGOG-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171226764 781386866 /nfs/dbraw/zinc/38/68/66/781386866.db2.gz KMECENKEEPYLDW-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001146710293 781418003 /nfs/dbraw/zinc/41/80/03/781418003.db2.gz JZBVYTOQWPMMKY-JTQLQIEISA-N 2 1 301.391 -1.122 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001146710759 781419249 /nfs/dbraw/zinc/41/92/49/781419249.db2.gz MVSCGTXWHWTSRY-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001146711344 781420273 /nfs/dbraw/zinc/42/02/73/781420273.db2.gz QGTRHQJAVVJANB-UHFFFAOYSA-N 2 1 308.448 -1.027 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001146718496 781421296 /nfs/dbraw/zinc/42/12/96/781421296.db2.gz CQVWRMJNRKDHCO-UHFFFAOYSA-N 2 1 300.403 -1.107 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147892060 781458494 /nfs/dbraw/zinc/45/84/94/781458494.db2.gz HKTCXEQCMSGBHW-LBPRGKRZSA-N 2 1 320.459 -1.027 20 0 DAADMP CN(CC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001147885974 781458910 /nfs/dbraw/zinc/45/89/10/781458910.db2.gz QSHINVUGZQPJNO-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001148748897 781477972 /nfs/dbraw/zinc/47/79/72/781477972.db2.gz ZTXUGJMRFRKFHD-LLVKDONJSA-N 2 1 323.397 -1.333 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001148748897 781477978 /nfs/dbraw/zinc/47/79/78/781477978.db2.gz ZTXUGJMRFRKFHD-LLVKDONJSA-N 2 1 323.397 -1.333 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001148748897 781477987 /nfs/dbraw/zinc/47/79/87/781477987.db2.gz ZTXUGJMRFRKFHD-LLVKDONJSA-N 2 1 323.397 -1.333 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001148748897 781477994 /nfs/dbraw/zinc/47/79/94/781477994.db2.gz ZTXUGJMRFRKFHD-LLVKDONJSA-N 2 1 323.397 -1.333 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815325 781580368 /nfs/dbraw/zinc/58/03/68/781580368.db2.gz RBJPWGZUTSFTAB-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815325 781580387 /nfs/dbraw/zinc/58/03/87/781580387.db2.gz RBJPWGZUTSFTAB-QWHCGFSZSA-N 2 1 324.425 -1.278 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171762615 781587957 /nfs/dbraw/zinc/58/79/57/781587957.db2.gz IDLBTUIGRFBVPL-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176057532 781614124 /nfs/dbraw/zinc/61/41/24/781614124.db2.gz PSHMVDHYFCDUKJ-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001176627631 781620564 /nfs/dbraw/zinc/62/05/64/781620564.db2.gz LUFKHEVEUINHKP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001176627631 781620569 /nfs/dbraw/zinc/62/05/69/781620569.db2.gz LUFKHEVEUINHKP-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124691 781666509 /nfs/dbraw/zinc/66/65/09/781666509.db2.gz MTQUGQNJGWMNBW-DCAQKATOSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181009159 781682504 /nfs/dbraw/zinc/68/25/04/781682504.db2.gz QLVNDFMHMDLKNR-LALPHHSUSA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181009159 781682510 /nfs/dbraw/zinc/68/25/10/781682510.db2.gz QLVNDFMHMDLKNR-LALPHHSUSA-N 2 1 312.414 -1.124 20 0 DAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151044071 781686816 /nfs/dbraw/zinc/68/68/16/781686816.db2.gz NEZYGOIHQZFOBO-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049386 781689285 /nfs/dbraw/zinc/68/92/85/781689285.db2.gz MUXWJTIFDPZFCK-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001181652602 781690606 /nfs/dbraw/zinc/69/06/06/781690606.db2.gz NNIDHNIPIXXSTJ-NEPJUHHUSA-N 2 1 318.443 -1.180 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822528 781693651 /nfs/dbraw/zinc/69/36/51/781693651.db2.gz QXEUMEKOPDEBOI-JHJVBQTASA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822528 781693656 /nfs/dbraw/zinc/69/36/56/781693656.db2.gz QXEUMEKOPDEBOI-JHJVBQTASA-N 2 1 301.387 -1.485 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066745 781693741 /nfs/dbraw/zinc/69/37/41/781693741.db2.gz YIELYNLLKUUXCL-OLZOCXBDSA-N 2 1 303.403 -1.332 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183647780 781728432 /nfs/dbraw/zinc/72/84/32/781728432.db2.gz LBNGPWBBCVNUIB-MNOVXSKESA-N 2 1 311.386 -1.144 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187841953 781808475 /nfs/dbraw/zinc/80/84/75/781808475.db2.gz GUBXWWYMWTVCPY-LLVKDONJSA-N 2 1 322.369 -1.162 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001187982063 781811977 /nfs/dbraw/zinc/81/19/77/781811977.db2.gz DSVGLDYJJKXUJW-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001187982063 781811987 /nfs/dbraw/zinc/81/19/87/781811987.db2.gz DSVGLDYJJKXUJW-RDBSUJKOSA-N 2 1 315.414 -1.095 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151749428 781838345 /nfs/dbraw/zinc/83/83/45/781838345.db2.gz XYFSPMMRFOXWFM-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151749428 781838354 /nfs/dbraw/zinc/83/83/54/781838354.db2.gz XYFSPMMRFOXWFM-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189515750 781843386 /nfs/dbraw/zinc/84/33/86/781843386.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189515747 781844977 /nfs/dbraw/zinc/84/49/77/781844977.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 2 1 312.414 -1.062 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801288 781853831 /nfs/dbraw/zinc/85/38/31/781853831.db2.gz CJEUTPBUBJTRPT-RWMBFGLXSA-N 2 1 312.414 -1.029 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801288 781853838 /nfs/dbraw/zinc/85/38/38/781853838.db2.gz CJEUTPBUBJTRPT-RWMBFGLXSA-N 2 1 312.414 -1.029 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189802368 781854746 /nfs/dbraw/zinc/85/47/46/781854746.db2.gz WSIRPJPOZAVIJJ-MELADBBJSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189802367 781855057 /nfs/dbraw/zinc/85/50/57/781855057.db2.gz WSIRPJPOZAVIJJ-BFHYXJOUSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801262 781855715 /nfs/dbraw/zinc/85/57/15/781855715.db2.gz CJEUTPBUBJTRPT-FRRDWIJNSA-N 2 1 312.414 -1.029 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801262 781855721 /nfs/dbraw/zinc/85/57/21/781855721.db2.gz CJEUTPBUBJTRPT-FRRDWIJNSA-N 2 1 312.414 -1.029 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001376875166 921743636 /nfs/dbraw/zinc/74/36/36/921743636.db2.gz ULNIEPTWEVWYHN-HZSPNIEDSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001376912999 921747017 /nfs/dbraw/zinc/74/70/17/921747017.db2.gz UDVWYKSSTOVOCJ-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001376917947 921748820 /nfs/dbraw/zinc/74/88/20/921748820.db2.gz GUBXWWYMWTVCPY-NSHDSACASA-N 2 1 322.369 -1.162 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001377173273 921776791 /nfs/dbraw/zinc/77/67/91/921776791.db2.gz FKWSQOHCSSBCPR-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001377173273 921776807 /nfs/dbraw/zinc/77/68/07/921776807.db2.gz FKWSQOHCSSBCPR-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001377173266 921777299 /nfs/dbraw/zinc/77/72/99/921777299.db2.gz FKWSQOHCSSBCPR-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001377173266 921777308 /nfs/dbraw/zinc/77/73/08/921777308.db2.gz FKWSQOHCSSBCPR-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](O)COC ZINC001377294663 921803248 /nfs/dbraw/zinc/80/32/48/921803248.db2.gz NOTCVWKITFLLMB-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C[C@@H](O)COC ZINC001377294663 921803258 /nfs/dbraw/zinc/80/32/58/921803258.db2.gz NOTCVWKITFLLMB-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](O)COC ZINC001377294663 921803270 /nfs/dbraw/zinc/80/32/70/921803270.db2.gz NOTCVWKITFLLMB-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](O)COC ZINC001377294663 921803283 /nfs/dbraw/zinc/80/32/83/921803283.db2.gz NOTCVWKITFLLMB-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105192012 916121206 /nfs/dbraw/zinc/12/12/06/916121206.db2.gz JIPJZZNAWKABJX-ZDUSSCGKSA-N 2 1 308.386 -1.163 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105192012 916121223 /nfs/dbraw/zinc/12/12/23/916121223.db2.gz JIPJZZNAWKABJX-ZDUSSCGKSA-N 2 1 308.386 -1.163 20 0 DAADMP CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316766048 916221626 /nfs/dbraw/zinc/22/16/26/916221626.db2.gz GPXPBQNHVZYMKT-GFCCVEGCSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316766048 916221641 /nfs/dbraw/zinc/22/16/41/916221641.db2.gz GPXPBQNHVZYMKT-GFCCVEGCSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316766048 916221658 /nfs/dbraw/zinc/22/16/58/916221658.db2.gz GPXPBQNHVZYMKT-GFCCVEGCSA-N 2 1 300.403 -1.170 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316766048 916221666 /nfs/dbraw/zinc/22/16/66/916221666.db2.gz GPXPBQNHVZYMKT-GFCCVEGCSA-N 2 1 300.403 -1.170 20 0 DAADMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001317622137 916341900 /nfs/dbraw/zinc/34/19/00/916341900.db2.gz ITNZUXXDBMVFIT-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001317664330 916344160 /nfs/dbraw/zinc/34/41/60/916344160.db2.gz LVXSGWXYVSYISC-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001317664330 916344182 /nfs/dbraw/zinc/34/41/82/916344182.db2.gz LVXSGWXYVSYISC-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320249249 916488459 /nfs/dbraw/zinc/48/84/59/916488459.db2.gz IUDUCFIXEFVKFC-QWRGUYRKSA-N 2 1 323.353 -1.937 20 0 DAADMP OC[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC001320710736 916524537 /nfs/dbraw/zinc/52/45/37/916524537.db2.gz FTBMRIUODMQVJI-XUXIUFHCSA-N 2 1 304.387 -2.142 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320922889 916536505 /nfs/dbraw/zinc/53/65/05/916536505.db2.gz YDZKKQLHTMAHKC-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320922889 916536495 /nfs/dbraw/zinc/53/64/95/916536495.db2.gz YDZKKQLHTMAHKC-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001321815013 916598738 /nfs/dbraw/zinc/59/87/38/916598738.db2.gz SBCHSPLJYGVORE-WDEREUQCSA-N 2 1 306.432 -1.276 20 0 DAADMP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001321815012 916600912 /nfs/dbraw/zinc/60/09/12/916600912.db2.gz SBCHSPLJYGVORE-QWRGUYRKSA-N 2 1 306.432 -1.276 20 0 DAADMP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001326107657 916897735 /nfs/dbraw/zinc/89/77/35/916897735.db2.gz PLWCMLLNARBPMX-STQMWFEESA-N 2 1 312.414 -1.101 20 0 DAADMP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001326107653 916898074 /nfs/dbraw/zinc/89/80/74/916898074.db2.gz PLWCMLLNARBPMX-CHWSQXEVSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1 ZINC001326801922 916958361 /nfs/dbraw/zinc/95/83/61/916958361.db2.gz LSAXOSDYZOTOHQ-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1 ZINC001326801922 916958372 /nfs/dbraw/zinc/95/83/72/916958372.db2.gz LSAXOSDYZOTOHQ-CYBMUJFWSA-N 2 1 315.414 -1.046 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC001326877978 916964722 /nfs/dbraw/zinc/96/47/22/916964722.db2.gz XTRGWCUIMDVVMO-XQHKEYJVSA-N 2 1 310.398 -1.541 20 0 DAADMP CN1CC[NH+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001328593531 917097904 /nfs/dbraw/zinc/09/79/04/917097904.db2.gz KUMFRKDRWKTUBR-CYBMUJFWSA-N 2 1 311.430 -1.392 20 0 DAADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001329001926 917130371 /nfs/dbraw/zinc/13/03/71/917130371.db2.gz DMYSNJXSOBQBPW-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC001329453305 917171156 /nfs/dbraw/zinc/17/11/56/917171156.db2.gz BMTBMWHDULNINT-CHWSQXEVSA-N 2 1 311.430 -1.536 20 0 DAADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329531861 917179432 /nfs/dbraw/zinc/17/94/32/917179432.db2.gz MXANAVZRBJSSKC-NSHDSACASA-N 2 1 313.402 -1.074 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001329822368 917201331 /nfs/dbraw/zinc/20/13/31/917201331.db2.gz OGQYIZGQCGKOSB-MQYJIDSJSA-N 2 1 309.414 -1.702 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001329822366 917202509 /nfs/dbraw/zinc/20/25/09/917202509.db2.gz OGQYIZGQCGKOSB-AVERBVTBSA-N 2 1 309.414 -1.702 20 0 DAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330025109 917222378 /nfs/dbraw/zinc/22/23/78/917222378.db2.gz WUNMOJNOOFUPIK-NEPJUHHUSA-N 2 1 310.398 -1.309 20 0 DAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330025110 917222822 /nfs/dbraw/zinc/22/28/22/917222822.db2.gz WUNMOJNOOFUPIK-NWDGAFQWSA-N 2 1 310.398 -1.309 20 0 DAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC001331141789 917280279 /nfs/dbraw/zinc/28/02/79/917280279.db2.gz YDADDJIBPRXWIJ-RWMBFGLXSA-N 2 1 312.414 -1.076 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331573122 917301297 /nfs/dbraw/zinc/30/12/97/917301297.db2.gz NVUBGUZLKGGYFI-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001331585839 917301810 /nfs/dbraw/zinc/30/18/10/917301810.db2.gz UHVAZIAKZPYKCG-CYBMUJFWSA-N 2 1 311.430 -1.392 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331742430 917330708 /nfs/dbraw/zinc/33/07/08/917330708.db2.gz BGAWOXFREGIWEA-YNEHKIRRSA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001333207717 917427532 /nfs/dbraw/zinc/42/75/32/917427532.db2.gz XEQZSYDEXVWPFQ-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])CN1CC[NH+](C)CC1 ZINC001333180225 917427818 /nfs/dbraw/zinc/42/78/18/917427818.db2.gz ZUMNLYSTUHXQBQ-OLZOCXBDSA-N 2 1 313.446 -1.160 20 0 DAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333564622 917450755 /nfs/dbraw/zinc/45/07/55/917450755.db2.gz ATOSJEUJJKLMAZ-VIFPVBQESA-N 2 1 322.369 -1.533 20 0 DAADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001334763056 917505710 /nfs/dbraw/zinc/50/57/10/917505710.db2.gz IXHGDCQJONPVLA-ZUWCUPBKSA-N 2 1 322.409 -1.398 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335255450 917540254 /nfs/dbraw/zinc/54/02/54/917540254.db2.gz MDZDBWQJVWNWRP-XQQFMLRXSA-N 2 1 312.414 -1.103 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001335801851 917561450 /nfs/dbraw/zinc/56/14/50/917561450.db2.gz MFKNYGFKCVVBDJ-RFQIPJPRSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001342640162 917788926 /nfs/dbraw/zinc/78/89/26/917788926.db2.gz DOFSDKAMDXGJQY-ZIAGYGMSSA-N 3 1 323.441 -1.249 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC001347342674 917917290 /nfs/dbraw/zinc/91/72/90/917917290.db2.gz LXIDWZPHYPNLMN-HZSPNIEDSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001347342674 917917299 /nfs/dbraw/zinc/91/72/99/917917299.db2.gz LXIDWZPHYPNLMN-HZSPNIEDSA-N 2 1 323.441 -1.169 20 0 DAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001347342674 917917306 /nfs/dbraw/zinc/91/73/06/917917306.db2.gz LXIDWZPHYPNLMN-HZSPNIEDSA-N 2 1 323.441 -1.169 20 0 DAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)Cn1ccnn1 ZINC001349911130 918044662 /nfs/dbraw/zinc/04/46/62/918044662.db2.gz KLVRRSDBIHYFBN-GFCCVEGCSA-N 2 1 311.390 -1.525 20 0 DAADMP CN1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+](C)CC1 ZINC001358444253 918322038 /nfs/dbraw/zinc/32/20/38/918322038.db2.gz JVCRECONMAZTDI-ZDUSSCGKSA-N 2 1 323.441 -1.488 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364470333 919017671 /nfs/dbraw/zinc/01/76/71/919017671.db2.gz VFYLNWWXPMJWRV-PHIMTYICSA-N 2 1 311.386 -2.331 20 0 DAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364470333 919017686 /nfs/dbraw/zinc/01/76/86/919017686.db2.gz VFYLNWWXPMJWRV-PHIMTYICSA-N 2 1 311.386 -2.331 20 0 DAADMP NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001365872114 919241591 /nfs/dbraw/zinc/24/15/91/919241591.db2.gz GZSYLPPAOYUNAV-CYBMUJFWSA-N 2 1 324.425 -1.147 20 0 DAADMP NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001365872114 919241604 /nfs/dbraw/zinc/24/16/04/919241604.db2.gz GZSYLPPAOYUNAV-CYBMUJFWSA-N 2 1 324.425 -1.147 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025808 919268679 /nfs/dbraw/zinc/26/86/79/919268679.db2.gz HHCYJMXNHXAHAS-MNOVXSKESA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025802 919271077 /nfs/dbraw/zinc/27/10/77/919271077.db2.gz HHCYJMXNHXAHAS-GHMZBOCLSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366144567 919286245 /nfs/dbraw/zinc/28/62/45/919286245.db2.gz ZHEFVWICAZJXID-ZNSHCXBVSA-N 2 1 311.386 -1.099 20 0 DAADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001366382182 919319187 /nfs/dbraw/zinc/31/91/87/919319187.db2.gz NIPYPJXFQCQZIJ-JTQLQIEISA-N 2 1 311.386 -1.144 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001366765122 919377426 /nfs/dbraw/zinc/37/74/26/919377426.db2.gz RXZOFUMQVGYLFX-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+][C@@H](C)C(N)=O ZINC001367276078 919447472 /nfs/dbraw/zinc/44/74/72/919447472.db2.gz DOOGVRMFBHWYOJ-RYUDHWBXSA-N 2 1 300.403 -1.076 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293291 919447855 /nfs/dbraw/zinc/44/78/55/919447855.db2.gz YJXXSLWGAOFCMF-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001367293291 919447868 /nfs/dbraw/zinc/44/78/68/919447868.db2.gz YJXXSLWGAOFCMF-RYUDHWBXSA-N 2 1 300.403 -1.205 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001367392785 919462170 /nfs/dbraw/zinc/46/21/70/919462170.db2.gz DMBPVHSGFLCWNI-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367583563 919494379 /nfs/dbraw/zinc/49/43/79/919494379.db2.gz RJXRWYLOYVSPCF-DTWKUNHWSA-N 2 1 301.347 -2.658 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367585172 919495457 /nfs/dbraw/zinc/49/54/57/919495457.db2.gz FNHOMSYWWJBNHJ-JHJVBQTASA-N 2 1 314.430 -1.082 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367584386 919496212 /nfs/dbraw/zinc/49/62/12/919496212.db2.gz RJXRWYLOYVSPCF-IUCAKERBSA-N 2 1 301.347 -2.658 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367583560 919496228 /nfs/dbraw/zinc/49/62/28/919496228.db2.gz RJXRWYLOYVSPCF-BDAKNGLRSA-N 2 1 301.347 -2.658 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001367586362 919497416 /nfs/dbraw/zinc/49/74/16/919497416.db2.gz GUPSXHAFMPONJL-RAIGVLPGSA-N 2 1 312.414 -1.328 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593219 919504333 /nfs/dbraw/zinc/50/43/33/919504333.db2.gz JNJYCJCHYZPDOZ-VHSXEESVSA-N 2 1 315.374 -2.268 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001367592429 919505349 /nfs/dbraw/zinc/50/53/49/919505349.db2.gz VMHWSMZALKZHMT-OLZOCXBDSA-N 2 1 312.418 -1.032 20 0 DAADMP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001367618098 919533128 /nfs/dbraw/zinc/53/31/28/919533128.db2.gz OSTDBUSTDOFBEH-GFCCVEGCSA-N 2 1 318.337 -1.567 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367625251 919539051 /nfs/dbraw/zinc/53/90/51/919539051.db2.gz QFDLQRRQMPVENK-LLVKDONJSA-N 2 1 308.386 -1.522 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001367626937 919539077 /nfs/dbraw/zinc/53/90/77/919539077.db2.gz XRBCFEHEACKUFF-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367625501 919539542 /nfs/dbraw/zinc/53/95/42/919539542.db2.gz QRZUZVNRIAOFII-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367628049 919539909 /nfs/dbraw/zinc/53/99/09/919539909.db2.gz WMNPFVRQZCUZNY-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)NC(N)=O ZINC001367994264 919599739 /nfs/dbraw/zinc/59/97/39/919599739.db2.gz YXHJKYZZBCUZJJ-VHSXEESVSA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368249485 919634678 /nfs/dbraw/zinc/63/46/78/919634678.db2.gz UGFPOGWUZWRWOK-CZUORRHYSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368249485 919634689 /nfs/dbraw/zinc/63/46/89/919634689.db2.gz UGFPOGWUZWRWOK-CZUORRHYSA-N 2 1 324.425 -1.373 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001368247045 919637052 /nfs/dbraw/zinc/63/70/52/919637052.db2.gz GFSLDWLPLNNFMT-IUODEOHRSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001368247045 919637063 /nfs/dbraw/zinc/63/70/63/919637063.db2.gz GFSLDWLPLNNFMT-IUODEOHRSA-N 2 1 324.425 -1.088 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001368254033 919640343 /nfs/dbraw/zinc/64/03/43/919640343.db2.gz AFNZYYJTCVENGZ-HNNXBMFYSA-N 2 1 314.430 -1.031 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001368254033 919640351 /nfs/dbraw/zinc/64/03/51/919640351.db2.gz AFNZYYJTCVENGZ-HNNXBMFYSA-N 2 1 314.430 -1.031 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001368267840 919648622 /nfs/dbraw/zinc/64/86/22/919648622.db2.gz ISOYMMTZKQFOOF-TZMCWYRMSA-N 2 1 300.403 -1.389 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001368267840 919648632 /nfs/dbraw/zinc/64/86/32/919648632.db2.gz ISOYMMTZKQFOOF-TZMCWYRMSA-N 2 1 300.403 -1.389 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368292270 919670362 /nfs/dbraw/zinc/67/03/62/919670362.db2.gz YOEACNRPECSCOS-HIFRSBDPSA-N 2 1 315.414 -1.500 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368371818 919706659 /nfs/dbraw/zinc/70/66/59/919706659.db2.gz YBTWLPDRGVVBNH-ZDUSSCGKSA-N 2 1 311.430 -1.264 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001368410919 919718938 /nfs/dbraw/zinc/71/89/38/919718938.db2.gz ONKUTQIMKAXUKT-VXGBXAGGSA-N 2 1 300.403 -1.388 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001368410917 919719244 /nfs/dbraw/zinc/71/92/44/919719244.db2.gz ONKUTQIMKAXUKT-RYUDHWBXSA-N 2 1 300.403 -1.388 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001368403513 919719637 /nfs/dbraw/zinc/71/96/37/919719637.db2.gz YXBSXKSONXSBKB-ZDUSSCGKSA-N 2 1 323.397 -1.119 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001368628885 919750130 /nfs/dbraw/zinc/75/01/30/919750130.db2.gz LIDTWSQQVJYZDS-AWEZNQCLSA-N 2 1 309.370 -1.380 20 0 DAADMP CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001368729114 919767219 /nfs/dbraw/zinc/76/72/19/919767219.db2.gz KCZPAYPIDAMQJS-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001368729114 919767233 /nfs/dbraw/zinc/76/72/33/919767233.db2.gz KCZPAYPIDAMQJS-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC1(CO)CC[NH+](CCO)CC1 ZINC001368768959 919769739 /nfs/dbraw/zinc/76/97/39/919769739.db2.gz FBUPODQNSDNOBY-UHFFFAOYSA-N 2 1 315.414 -1.356 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001368909003 919785285 /nfs/dbraw/zinc/78/52/85/919785285.db2.gz YDIIPSQEVJBZTP-ZDUSSCGKSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001368909003 919785290 /nfs/dbraw/zinc/78/52/90/919785290.db2.gz YDIIPSQEVJBZTP-ZDUSSCGKSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001368909003 919785301 /nfs/dbraw/zinc/78/53/01/919785301.db2.gz YDIIPSQEVJBZTP-ZDUSSCGKSA-N 2 1 312.414 -1.149 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368902616 919786633 /nfs/dbraw/zinc/78/66/33/919786633.db2.gz DRGOZSLPUHSMBS-RKDXNWHRSA-N 2 1 310.358 -1.131 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccnc3)[C@@H]2C1 ZINC001369145879 919824799 /nfs/dbraw/zinc/82/47/99/919824799.db2.gz OBYQQBURIRWAKS-RTCCRHLQSA-N 2 1 320.353 -1.628 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232054 919830782 /nfs/dbraw/zinc/83/07/82/919830782.db2.gz QBWNNWYGHWAEBJ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001369232054 919830798 /nfs/dbraw/zinc/83/07/98/919830798.db2.gz QBWNNWYGHWAEBJ-NWDGAFQWSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001369320015 919854027 /nfs/dbraw/zinc/85/40/27/919854027.db2.gz BDQXLBFEUMNBKU-JHJVBQTASA-N 2 1 312.414 -1.374 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369342409 919879758 /nfs/dbraw/zinc/87/97/58/919879758.db2.gz TXLPOSGFJRRSME-OLZOCXBDSA-N 2 1 310.402 -1.171 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369354291 919892003 /nfs/dbraw/zinc/89/20/03/919892003.db2.gz UVOQZCXVYHLQTA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001369360505 919894768 /nfs/dbraw/zinc/89/47/68/919894768.db2.gz IALPYPOYZCLNMX-IINYFYTJSA-N 2 1 318.393 -1.249 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001369360507 919896006 /nfs/dbraw/zinc/89/60/06/919896006.db2.gz IALPYPOYZCLNMX-QMTHXVAHSA-N 2 1 318.393 -1.249 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001369370778 919907781 /nfs/dbraw/zinc/90/77/81/919907781.db2.gz FIJCZCZESPBWAU-VXGBXAGGSA-N 2 1 302.419 -1.130 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001369472382 919947703 /nfs/dbraw/zinc/94/77/03/919947703.db2.gz QIGAMCGBURLQAH-LBPRGKRZSA-N 2 1 316.402 -2.136 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369470140 919948019 /nfs/dbraw/zinc/94/80/19/919948019.db2.gz NFZPRQTZBRZKCN-IHRRRGAJSA-N 2 1 317.430 -1.113 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001369481306 919956248 /nfs/dbraw/zinc/95/62/48/919956248.db2.gz QBZGNUCFFKMVPO-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369489301 919962705 /nfs/dbraw/zinc/96/27/05/919962705.db2.gz ZNJRTWUZKPPOCD-NWDGAFQWSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369489301 919962709 /nfs/dbraw/zinc/96/27/09/919962709.db2.gz ZNJRTWUZKPPOCD-NWDGAFQWSA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001369499021 919964298 /nfs/dbraw/zinc/96/42/98/919964298.db2.gz QBMSWVRTEOCNOH-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001369499021 919964311 /nfs/dbraw/zinc/96/43/11/919964311.db2.gz QBMSWVRTEOCNOH-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369499021 919964324 /nfs/dbraw/zinc/96/43/24/919964324.db2.gz QBMSWVRTEOCNOH-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369499021 919964341 /nfs/dbraw/zinc/96/43/41/919964341.db2.gz QBMSWVRTEOCNOH-RYUDHWBXSA-N 2 1 300.403 -1.422 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369500893 919970165 /nfs/dbraw/zinc/97/01/65/919970165.db2.gz GRISIDRQDHZVPF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369500893 919970178 /nfs/dbraw/zinc/97/01/78/919970178.db2.gz GRISIDRQDHZVPF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369500893 919970200 /nfs/dbraw/zinc/97/02/00/919970200.db2.gz GRISIDRQDHZVPF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369500893 919970213 /nfs/dbraw/zinc/97/02/13/919970213.db2.gz GRISIDRQDHZVPF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001369506193 919974102 /nfs/dbraw/zinc/97/41/02/919974102.db2.gz PGJUANDORMNSOG-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001369506193 919974112 /nfs/dbraw/zinc/97/41/12/919974112.db2.gz PGJUANDORMNSOG-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001369506193 919974123 /nfs/dbraw/zinc/97/41/23/919974123.db2.gz PGJUANDORMNSOG-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369506193 919974134 /nfs/dbraw/zinc/97/41/34/919974134.db2.gz PGJUANDORMNSOG-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369513091 919976503 /nfs/dbraw/zinc/97/65/03/919976503.db2.gz VNMKPXDRSWDJML-LBPRGKRZSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369513091 919976511 /nfs/dbraw/zinc/97/65/11/919976511.db2.gz VNMKPXDRSWDJML-LBPRGKRZSA-N 2 1 314.430 -1.175 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515796 919981608 /nfs/dbraw/zinc/98/16/08/919981608.db2.gz SGXSBLUNISUZFS-VXGBXAGGSA-N 2 1 302.419 -1.176 20 0 DAADMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001369515796 919981621 /nfs/dbraw/zinc/98/16/21/919981621.db2.gz SGXSBLUNISUZFS-VXGBXAGGSA-N 2 1 302.419 -1.176 20 0 DAADMP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370025870 920032463 /nfs/dbraw/zinc/03/24/63/920032463.db2.gz BCTJBPGCIBCKSG-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370025870 920032480 /nfs/dbraw/zinc/03/24/80/920032480.db2.gz BCTJBPGCIBCKSG-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001370409511 920054867 /nfs/dbraw/zinc/05/48/67/920054867.db2.gz VDGJIMXCCRJERV-KOLCDFICSA-N 2 1 322.369 -1.035 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001370444017 920058878 /nfs/dbraw/zinc/05/88/78/920058878.db2.gz WOTXZJVIFUJWBX-IJLUTSLNSA-N 2 1 319.427 -1.402 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001370444017 920058895 /nfs/dbraw/zinc/05/88/95/920058895.db2.gz WOTXZJVIFUJWBX-IJLUTSLNSA-N 2 1 319.427 -1.402 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001370565851 920069597 /nfs/dbraw/zinc/06/95/97/920069597.db2.gz SMAYWXBYCVQYKD-XDQVBPFNSA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC)C2)C1 ZINC001370565851 920069616 /nfs/dbraw/zinc/06/96/16/920069616.db2.gz SMAYWXBYCVQYKD-XDQVBPFNSA-N 2 1 315.414 -1.049 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370696772 920126196 /nfs/dbraw/zinc/12/61/96/920126196.db2.gz LLQSMPUQHYNWSK-MJBXVCDLSA-N 2 1 315.414 -1.047 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001370702442 920130636 /nfs/dbraw/zinc/13/06/36/920130636.db2.gz INFBVFYJLKNYCN-GARJFASQSA-N 2 1 311.386 -1.240 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370715251 920139142 /nfs/dbraw/zinc/13/91/42/920139142.db2.gz ICWGOGAMINBFCU-AOOOYVTPSA-N 2 1 308.342 -1.377 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001370753786 920156453 /nfs/dbraw/zinc/15/64/53/920156453.db2.gz LESQEBZCEFYKPO-STQMWFEESA-N 2 1 324.425 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001370753761 920156865 /nfs/dbraw/zinc/15/68/65/920156865.db2.gz LESQEBZCEFYKPO-CHWSQXEVSA-N 2 1 324.425 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001370753771 920157891 /nfs/dbraw/zinc/15/78/91/920157891.db2.gz LESQEBZCEFYKPO-OLZOCXBDSA-N 2 1 324.425 -1.373 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372219939 920347172 /nfs/dbraw/zinc/34/71/72/920347172.db2.gz ALWWFJXOQAOUGJ-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372219939 920347186 /nfs/dbraw/zinc/34/71/86/920347186.db2.gz ALWWFJXOQAOUGJ-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001372942578 920439468 /nfs/dbraw/zinc/43/94/68/920439468.db2.gz FXIHHHZLXAZILA-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C[NH+]1CCCC1 ZINC001373387892 920486192 /nfs/dbraw/zinc/48/61/92/920486192.db2.gz FZHQELVSQGTGTE-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C[NH+]1CCCC1 ZINC001373387892 920486205 /nfs/dbraw/zinc/48/62/05/920486205.db2.gz FZHQELVSQGTGTE-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373495175 920509968 /nfs/dbraw/zinc/50/99/68/920509968.db2.gz AZZJSQYZKYJRHZ-QWHCGFSZSA-N 2 1 301.387 -1.628 20 0 DAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373495175 920509990 /nfs/dbraw/zinc/50/99/90/920509990.db2.gz AZZJSQYZKYJRHZ-QWHCGFSZSA-N 2 1 301.387 -1.628 20 0 DAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373495205 920511297 /nfs/dbraw/zinc/51/12/97/920511297.db2.gz AZZJSQYZKYJRHZ-STQMWFEESA-N 2 1 301.387 -1.628 20 0 DAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373495205 920511306 /nfs/dbraw/zinc/51/13/06/920511306.db2.gz AZZJSQYZKYJRHZ-STQMWFEESA-N 2 1 301.387 -1.628 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001374489860 920608705 /nfs/dbraw/zinc/60/87/05/920608705.db2.gz IIPQEIGYWBHMQZ-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001374489860 920608712 /nfs/dbraw/zinc/60/87/12/920608712.db2.gz IIPQEIGYWBHMQZ-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001374489860 920608722 /nfs/dbraw/zinc/60/87/22/920608722.db2.gz IIPQEIGYWBHMQZ-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001374489860 920608728 /nfs/dbraw/zinc/60/87/28/920608728.db2.gz IIPQEIGYWBHMQZ-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556233 920615815 /nfs/dbraw/zinc/61/58/15/920615815.db2.gz REYBGYSJPOPWGV-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001374556233 920615825 /nfs/dbraw/zinc/61/58/25/920615825.db2.gz REYBGYSJPOPWGV-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556233 920615832 /nfs/dbraw/zinc/61/58/32/920615832.db2.gz REYBGYSJPOPWGV-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556233 920615840 /nfs/dbraw/zinc/61/58/40/920615840.db2.gz REYBGYSJPOPWGV-GHMZBOCLSA-N 2 1 313.402 -1.088 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374608656 920643638 /nfs/dbraw/zinc/64/36/38/920643638.db2.gz YYYOHHILCQTDGD-OLZOCXBDSA-N 2 1 322.413 -1.276 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001374654771 920676166 /nfs/dbraw/zinc/67/61/66/920676166.db2.gz HGPQJYRVCUSLEQ-GFCCVEGCSA-N 2 1 316.402 -2.136 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001374686091 920693349 /nfs/dbraw/zinc/69/33/49/920693349.db2.gz SBPUFPRMWTWNLB-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001375120948 920745540 /nfs/dbraw/zinc/74/55/40/920745540.db2.gz FBIGATHWWKWBIP-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001375120948 920745551 /nfs/dbraw/zinc/74/55/51/920745551.db2.gz FBIGATHWWKWBIP-LLVKDONJSA-N 2 1 310.402 -1.020 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375093435 920746388 /nfs/dbraw/zinc/74/63/88/920746388.db2.gz KGJGAPKDRASUOZ-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375093435 920746382 /nfs/dbraw/zinc/74/63/82/920746382.db2.gz KGJGAPKDRASUOZ-JTQLQIEISA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040861 920832413 /nfs/dbraw/zinc/83/24/13/920832413.db2.gz VEKJOKAFBSBVAE-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040861 920832432 /nfs/dbraw/zinc/83/24/32/920832432.db2.gz VEKJOKAFBSBVAE-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040861 920832449 /nfs/dbraw/zinc/83/24/49/920832449.db2.gz VEKJOKAFBSBVAE-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040861 920832470 /nfs/dbraw/zinc/83/24/70/920832470.db2.gz VEKJOKAFBSBVAE-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042117 920834010 /nfs/dbraw/zinc/83/40/10/920834010.db2.gz KNENIFVFRIWMJH-NHYWBVRUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376042117 920834021 /nfs/dbraw/zinc/83/40/21/920834021.db2.gz KNENIFVFRIWMJH-NHYWBVRUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376042117 920834034 /nfs/dbraw/zinc/83/40/34/920834034.db2.gz KNENIFVFRIWMJH-NHYWBVRUSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042117 920834043 /nfs/dbraw/zinc/83/40/43/920834043.db2.gz KNENIFVFRIWMJH-NHYWBVRUSA-N 2 1 312.414 -1.103 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376050012 920837851 /nfs/dbraw/zinc/83/78/51/920837851.db2.gz TVJJSCXBCCOSJG-OAHLLOKOSA-N 2 1 324.425 -1.086 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376050012 920837860 /nfs/dbraw/zinc/83/78/60/920837860.db2.gz TVJJSCXBCCOSJG-OAHLLOKOSA-N 2 1 324.425 -1.086 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376048116 920839004 /nfs/dbraw/zinc/83/90/04/920839004.db2.gz ITNSGDAQVIXEBZ-GZBFAFLISA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376048116 920839017 /nfs/dbraw/zinc/83/90/17/920839017.db2.gz ITNSGDAQVIXEBZ-GZBFAFLISA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376048116 920839024 /nfs/dbraw/zinc/83/90/24/920839024.db2.gz ITNSGDAQVIXEBZ-GZBFAFLISA-N 2 1 315.414 -1.359 20 0 DAADMP Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001376073806 920842437 /nfs/dbraw/zinc/84/24/37/920842437.db2.gz ALQNZSFWNXCAPU-CQSZACIVSA-N 2 1 310.402 -1.180 20 0 DAADMP Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001376073806 920842456 /nfs/dbraw/zinc/84/24/56/920842456.db2.gz ALQNZSFWNXCAPU-CQSZACIVSA-N 2 1 310.402 -1.180 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001376085023 920847277 /nfs/dbraw/zinc/84/72/77/920847277.db2.gz BKWQGBUJHUPQAE-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001376085023 920847291 /nfs/dbraw/zinc/84/72/91/920847291.db2.gz BKWQGBUJHUPQAE-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376085023 920847298 /nfs/dbraw/zinc/84/72/98/920847298.db2.gz BKWQGBUJHUPQAE-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376085023 920847310 /nfs/dbraw/zinc/84/73/10/920847310.db2.gz BKWQGBUJHUPQAE-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001376091367 920854347 /nfs/dbraw/zinc/85/43/47/920854347.db2.gz LUSHWVYYHQNYET-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001376091367 920854363 /nfs/dbraw/zinc/85/43/63/920854363.db2.gz LUSHWVYYHQNYET-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376091367 920854381 /nfs/dbraw/zinc/85/43/81/920854381.db2.gz LUSHWVYYHQNYET-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376091367 920854391 /nfs/dbraw/zinc/85/43/91/920854391.db2.gz LUSHWVYYHQNYET-FZMZJTMJSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102236 920857554 /nfs/dbraw/zinc/85/75/54/920857554.db2.gz YLEHJBPYIDQEAR-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376102236 920857560 /nfs/dbraw/zinc/85/75/60/920857560.db2.gz YLEHJBPYIDQEAR-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376102236 920857568 /nfs/dbraw/zinc/85/75/68/920857568.db2.gz YLEHJBPYIDQEAR-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102236 920857578 /nfs/dbraw/zinc/85/75/78/920857578.db2.gz YLEHJBPYIDQEAR-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376370902 920928326 /nfs/dbraw/zinc/92/83/26/920928326.db2.gz ZRGXSAWZDFBFID-GMTAPVOTSA-N 2 1 311.386 -1.227 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413045 920933354 /nfs/dbraw/zinc/93/33/54/920933354.db2.gz XEDODRDEDFYJDO-TUAOUCFPSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413045 920933372 /nfs/dbraw/zinc/93/33/72/920933372.db2.gz XEDODRDEDFYJDO-TUAOUCFPSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413045 920933389 /nfs/dbraw/zinc/93/33/89/920933389.db2.gz XEDODRDEDFYJDO-TUAOUCFPSA-N 2 1 323.397 -1.334 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505649 920960869 /nfs/dbraw/zinc/96/08/69/920960869.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@]2(CO)CCCN(CCO)C2)C1 ZINC001376505649 920960886 /nfs/dbraw/zinc/96/08/86/920960886.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376546209 920975913 /nfs/dbraw/zinc/97/59/13/920975913.db2.gz DKXPYQUIJCUJKW-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001376626340 920996080 /nfs/dbraw/zinc/99/60/80/920996080.db2.gz BDUHLUFZNVIOFH-RGDJUOJXSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001376626340 920996094 /nfs/dbraw/zinc/99/60/94/920996094.db2.gz BDUHLUFZNVIOFH-RGDJUOJXSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376626340 920996100 /nfs/dbraw/zinc/99/61/00/920996100.db2.gz BDUHLUFZNVIOFH-RGDJUOJXSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376626340 920996112 /nfs/dbraw/zinc/99/61/12/920996112.db2.gz BDUHLUFZNVIOFH-RGDJUOJXSA-N 2 1 313.398 -1.629 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001376629024 920996327 /nfs/dbraw/zinc/99/63/27/920996327.db2.gz OEXYWALTOWOHGX-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001376666482 921011798 /nfs/dbraw/zinc/01/17/98/921011798.db2.gz YPTUPSDCCKAZPX-OLZOCXBDSA-N 2 1 323.397 -1.039 20 0 DAADMP CN1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001376666482 921011809 /nfs/dbraw/zinc/01/18/09/921011809.db2.gz YPTUPSDCCKAZPX-OLZOCXBDSA-N 2 1 323.397 -1.039 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001376857014 921045343 /nfs/dbraw/zinc/04/53/43/921045343.db2.gz CGUPYWXWTMDMAO-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001377500483 921827120 /nfs/dbraw/zinc/82/71/20/921827120.db2.gz AAOLOGITSVAQFO-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001377500483 921827129 /nfs/dbraw/zinc/82/71/29/921827129.db2.gz AAOLOGITSVAQFO-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001377500483 921827138 /nfs/dbraw/zinc/82/71/38/921827138.db2.gz AAOLOGITSVAQFO-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001377500483 921827148 /nfs/dbraw/zinc/82/71/48/921827148.db2.gz AAOLOGITSVAQFO-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001378090151 921913511 /nfs/dbraw/zinc/91/35/11/921913511.db2.gz TZPJRGXGNVELLE-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)COC)C2)C1 ZINC001378090151 921913525 /nfs/dbraw/zinc/91/35/25/921913525.db2.gz TZPJRGXGNVELLE-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)C2)C1 ZINC001378090151 921913537 /nfs/dbraw/zinc/91/35/37/921913537.db2.gz TZPJRGXGNVELLE-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001378090151 921913550 /nfs/dbraw/zinc/91/35/50/921913550.db2.gz TZPJRGXGNVELLE-MELADBBJSA-N 2 1 315.414 -1.095 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001378114312 921916263 /nfs/dbraw/zinc/91/62/63/921916263.db2.gz FGINTZTYCXRHMF-LLVKDONJSA-N 2 1 306.432 -1.322 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001378114312 921916284 /nfs/dbraw/zinc/91/62/84/921916284.db2.gz FGINTZTYCXRHMF-LLVKDONJSA-N 2 1 306.432 -1.322 20 0 DAADMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192213 921927462 /nfs/dbraw/zinc/92/74/62/921927462.db2.gz TURCTFYLOGSMPP-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192213 921927473 /nfs/dbraw/zinc/92/74/73/921927473.db2.gz TURCTFYLOGSMPP-VHSXEESVSA-N 2 1 301.391 -1.042 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378543538 921975421 /nfs/dbraw/zinc/97/54/21/921975421.db2.gz XHSYHTNWQMBNPO-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378543538 921975433 /nfs/dbraw/zinc/97/54/33/921975433.db2.gz XHSYHTNWQMBNPO-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001378644571 921984581 /nfs/dbraw/zinc/98/45/81/921984581.db2.gz KXBOHDAVSCDVBC-JTQLQIEISA-N 2 1 324.385 -1.011 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378649039 921988069 /nfs/dbraw/zinc/98/80/69/921988069.db2.gz PZIANKQPFNWKOL-WDEREUQCSA-N 2 1 310.402 -1.098 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001378753596 922002748 /nfs/dbraw/zinc/00/27/48/922002748.db2.gz DQOYDZJBWXCCHN-VXGBXAGGSA-N 2 1 309.370 -1.118 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001378753587 922004122 /nfs/dbraw/zinc/00/41/22/922004122.db2.gz DQOYDZJBWXCCHN-NWDGAFQWSA-N 2 1 309.370 -1.118 20 0 DAADMP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379035689 922026104 /nfs/dbraw/zinc/02/61/04/922026104.db2.gz USTLQJCYLKKIGF-OLZOCXBDSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379035689 922026116 /nfs/dbraw/zinc/02/61/16/922026116.db2.gz USTLQJCYLKKIGF-OLZOCXBDSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379035689 922026124 /nfs/dbraw/zinc/02/61/24/922026124.db2.gz USTLQJCYLKKIGF-OLZOCXBDSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379035689 922026131 /nfs/dbraw/zinc/02/61/31/922026131.db2.gz USTLQJCYLKKIGF-OLZOCXBDSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379035675 922026712 /nfs/dbraw/zinc/02/67/12/922026712.db2.gz USTLQJCYLKKIGF-CHWSQXEVSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379035675 922026724 /nfs/dbraw/zinc/02/67/24/922026724.db2.gz USTLQJCYLKKIGF-CHWSQXEVSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379035675 922026745 /nfs/dbraw/zinc/02/67/45/922026745.db2.gz USTLQJCYLKKIGF-CHWSQXEVSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379035675 922026766 /nfs/dbraw/zinc/02/67/66/922026766.db2.gz USTLQJCYLKKIGF-CHWSQXEVSA-N 2 1 303.403 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379132161 922038196 /nfs/dbraw/zinc/03/81/96/922038196.db2.gz NVRDXKXZNMAOEZ-LLVKDONJSA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379132161 922038207 /nfs/dbraw/zinc/03/82/07/922038207.db2.gz NVRDXKXZNMAOEZ-LLVKDONJSA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379132161 922038217 /nfs/dbraw/zinc/03/82/17/922038217.db2.gz NVRDXKXZNMAOEZ-LLVKDONJSA-N 2 1 313.402 -1.216 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379132161 922038233 /nfs/dbraw/zinc/03/82/33/922038233.db2.gz NVRDXKXZNMAOEZ-LLVKDONJSA-N 2 1 313.402 -1.216 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001379241030 922091791 /nfs/dbraw/zinc/09/17/91/922091791.db2.gz JNHXXRJKYAWZPB-RYUDHWBXSA-N 2 1 300.403 -1.517 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001379241046 922092680 /nfs/dbraw/zinc/09/26/80/922092680.db2.gz JPBWEGQIDMNYFT-WDEREUQCSA-N 2 1 302.419 -1.095 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379258940 922104309 /nfs/dbraw/zinc/10/43/09/922104309.db2.gz NHBUDPULMZLTDF-RYUDHWBXSA-N 2 1 300.403 -1.469 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)C ZINC001379290150 922119796 /nfs/dbraw/zinc/11/97/96/922119796.db2.gz QUMHXEIJSBPXSG-LBPRGKRZSA-N 2 1 311.386 -1.217 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379397059 922154344 /nfs/dbraw/zinc/15/43/44/922154344.db2.gz NDWJXZXLNKLFJM-JHJVBQTASA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001379473866 922191270 /nfs/dbraw/zinc/19/12/70/922191270.db2.gz COYHCVCNWJUPRL-STQMWFEESA-N 2 1 310.402 -1.313 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001379504039 922207035 /nfs/dbraw/zinc/20/70/35/922207035.db2.gz RVONOXKMXYMFAS-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379527539 922218975 /nfs/dbraw/zinc/21/89/75/922218975.db2.gz NPFUBRYUXHYKBF-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001379532886 922219647 /nfs/dbraw/zinc/21/96/47/922219647.db2.gz SEVOENHFERCNOI-WPRPVWTQSA-N 2 1 310.358 -1.131 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCNC2=O)C1 ZINC001379531333 922222720 /nfs/dbraw/zinc/22/27/20/922222720.db2.gz VQADKLCGBXZBHO-RYUDHWBXSA-N 2 1 313.402 -1.970 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379601973 922233980 /nfs/dbraw/zinc/23/39/80/922233980.db2.gz WWIWYBSEDNKWOG-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379763489 922252305 /nfs/dbraw/zinc/25/23/05/922252305.db2.gz WFFDHNNTXZXJLY-ZJUUUORDSA-N 2 1 315.374 -2.316 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379820439 922272232 /nfs/dbraw/zinc/27/22/32/922272232.db2.gz FUJZLTNEDXOSCY-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001379839684 922275215 /nfs/dbraw/zinc/27/52/15/922275215.db2.gz HSDKCWXDDFPNNJ-NEPJUHHUSA-N 2 1 316.402 -2.009 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379867709 922282427 /nfs/dbraw/zinc/28/24/27/922282427.db2.gz HXXMFSJAWGWFCJ-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379861786 922283823 /nfs/dbraw/zinc/28/38/23/922283823.db2.gz GWFRFJBICPUALM-GHMZBOCLSA-N 2 1 302.375 -2.399 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379867702 922285151 /nfs/dbraw/zinc/28/51/51/922285151.db2.gz HXXMFSJAWGWFCJ-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001379943419 922300795 /nfs/dbraw/zinc/30/07/95/922300795.db2.gz YDUGYFJYHLLWGW-QWRGUYRKSA-N 2 1 311.386 -1.383 20 0 DAADMP COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379969268 922305692 /nfs/dbraw/zinc/30/56/92/922305692.db2.gz PLTIRWKKDKCALU-MELADBBJSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@@H](O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379969268 922305695 /nfs/dbraw/zinc/30/56/95/922305695.db2.gz PLTIRWKKDKCALU-MELADBBJSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@@H](O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379969268 922305715 /nfs/dbraw/zinc/30/57/15/922305715.db2.gz PLTIRWKKDKCALU-MELADBBJSA-N 2 1 317.430 -1.161 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379974619 922308258 /nfs/dbraw/zinc/30/82/58/922308258.db2.gz RPQCRGXJCPLNMC-NEPJUHHUSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379974619 922308273 /nfs/dbraw/zinc/30/82/73/922308273.db2.gz RPQCRGXJCPLNMC-NEPJUHHUSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379974619 922308287 /nfs/dbraw/zinc/30/82/87/922308287.db2.gz RPQCRGXJCPLNMC-NEPJUHHUSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379974619 922308302 /nfs/dbraw/zinc/30/83/02/922308302.db2.gz RPQCRGXJCPLNMC-NEPJUHHUSA-N 2 1 300.403 -1.565 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972985 922309054 /nfs/dbraw/zinc/30/90/54/922309054.db2.gz ZGPSAUFJMQHIFP-NWDGAFQWSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972985 922309071 /nfs/dbraw/zinc/30/90/71/922309071.db2.gz ZGPSAUFJMQHIFP-NWDGAFQWSA-N 2 1 314.430 -1.047 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001379970100 922311194 /nfs/dbraw/zinc/31/11/94/922311194.db2.gz KTFFJNCDIMLJEP-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001379970100 922311206 /nfs/dbraw/zinc/31/12/06/922311206.db2.gz KTFFJNCDIMLJEP-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379970100 922311217 /nfs/dbraw/zinc/31/12/17/922311217.db2.gz KTFFJNCDIMLJEP-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001379971952 922311870 /nfs/dbraw/zinc/31/18/70/922311870.db2.gz YABUSOMIEKJCSH-LBPRGKRZSA-N 2 1 300.403 -1.435 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001379971952 922311880 /nfs/dbraw/zinc/31/18/80/922311880.db2.gz YABUSOMIEKJCSH-LBPRGKRZSA-N 2 1 300.403 -1.435 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001380169690 922337493 /nfs/dbraw/zinc/33/74/93/922337493.db2.gz MJSSYEVYIPQJAS-JTQLQIEISA-N 2 1 311.386 -1.368 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001380538259 922371749 /nfs/dbraw/zinc/37/17/49/922371749.db2.gz SAGMKDYZKXLGPQ-CQSZACIVSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001380538259 922371762 /nfs/dbraw/zinc/37/17/62/922371762.db2.gz SAGMKDYZKXLGPQ-CQSZACIVSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380541255 922377943 /nfs/dbraw/zinc/37/79/43/922377943.db2.gz ATRJUYZOEYLUMF-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380541255 922377960 /nfs/dbraw/zinc/37/79/60/922377960.db2.gz ATRJUYZOEYLUMF-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380541255 922377973 /nfs/dbraw/zinc/37/79/73/922377973.db2.gz ATRJUYZOEYLUMF-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380541255 922377986 /nfs/dbraw/zinc/37/79/86/922377986.db2.gz ATRJUYZOEYLUMF-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549064 922383816 /nfs/dbraw/zinc/38/38/16/922383816.db2.gz LQUWXTIZJBJZAR-NHYWBVRUSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380549064 922383832 /nfs/dbraw/zinc/38/38/32/922383832.db2.gz LQUWXTIZJBJZAR-NHYWBVRUSA-N 2 1 312.414 -1.245 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001380713230 922440684 /nfs/dbraw/zinc/44/06/84/922440684.db2.gz OZYOJJFCSBFKHY-AWEZNQCLSA-N 2 1 314.430 -1.521 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001380713230 922440698 /nfs/dbraw/zinc/44/06/98/922440698.db2.gz OZYOJJFCSBFKHY-AWEZNQCLSA-N 2 1 314.430 -1.521 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001380767872 922454010 /nfs/dbraw/zinc/45/40/10/922454010.db2.gz RCRXRHRVSNMZGF-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001380922002 922476692 /nfs/dbraw/zinc/47/66/92/922476692.db2.gz XCCIUAHXWRHZIH-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001380922000 922477660 /nfs/dbraw/zinc/47/76/60/922477660.db2.gz XCCIUAHXWRHZIH-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001381042907 922493806 /nfs/dbraw/zinc/49/38/06/922493806.db2.gz ITPSDDFARUXPIN-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001381038291 922495047 /nfs/dbraw/zinc/49/50/47/922495047.db2.gz AABGENJFEYOZSY-AWEZNQCLSA-N 2 1 300.403 -1.243 20 0 DAADMP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001381255050 922516165 /nfs/dbraw/zinc/51/61/65/922516165.db2.gz NLNLPDDQKIAXQG-NSHDSACASA-N 2 1 300.403 -1.245 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382268246 922652294 /nfs/dbraw/zinc/65/22/94/922652294.db2.gz UMTOJLGFENNAMW-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268246 922652312 /nfs/dbraw/zinc/65/23/12/922652312.db2.gz UMTOJLGFENNAMW-VXGBXAGGSA-N 2 1 310.402 -1.276 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001382270232 922656572 /nfs/dbraw/zinc/65/65/72/922656572.db2.gz BOYVNUOQZVICPT-NEPJUHHUSA-N 2 1 309.370 -1.463 20 0 DAADMP CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382270815 922657273 /nfs/dbraw/zinc/65/72/73/922657273.db2.gz DRPYYXARJKLTQM-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001382273618 922659471 /nfs/dbraw/zinc/65/94/71/922659471.db2.gz LRXSJPFGTPOAAU-NEPJUHHUSA-N 2 1 314.430 -1.081 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC2CC2)C1 ZINC001382275832 922661704 /nfs/dbraw/zinc/66/17/04/922661704.db2.gz UGDKXPXKXUPEBX-STQMWFEESA-N 2 1 312.414 -1.469 20 0 DAADMP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001382403279 922726852 /nfs/dbraw/zinc/72/68/52/922726852.db2.gz AGQHLWNJIRZGJE-RYUDHWBXSA-N 2 1 311.386 -1.136 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382439926 922751231 /nfs/dbraw/zinc/75/12/31/922751231.db2.gz HGJRFWUTNSYNJE-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382441040 922754365 /nfs/dbraw/zinc/75/43/65/922754365.db2.gz QAVKSUVIYQUYEE-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382441040 922754382 /nfs/dbraw/zinc/75/43/82/922754382.db2.gz QAVKSUVIYQUYEE-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001382447662 922757594 /nfs/dbraw/zinc/75/75/94/922757594.db2.gz YGCMMCBBVMWANI-LBPRGKRZSA-N 2 1 311.386 -1.311 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382473389 922774016 /nfs/dbraw/zinc/77/40/16/922774016.db2.gz UQEPHPNQYHNVQZ-NSHDSACASA-N 2 1 300.403 -1.435 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382473389 922774031 /nfs/dbraw/zinc/77/40/31/922774031.db2.gz UQEPHPNQYHNVQZ-NSHDSACASA-N 2 1 300.403 -1.435 20 0 DAADMP COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001382476412 922778145 /nfs/dbraw/zinc/77/81/45/922778145.db2.gz PLTIRWKKDKCALU-BFHYXJOUSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@H](O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382476412 922778156 /nfs/dbraw/zinc/77/81/56/922778156.db2.gz PLTIRWKKDKCALU-BFHYXJOUSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@H](O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382476412 922778164 /nfs/dbraw/zinc/77/81/64/922778164.db2.gz PLTIRWKKDKCALU-BFHYXJOUSA-N 2 1 317.430 -1.161 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001382554857 922807058 /nfs/dbraw/zinc/80/70/58/922807058.db2.gz DVAMISADLIUXGF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382554857 922807078 /nfs/dbraw/zinc/80/70/78/922807078.db2.gz DVAMISADLIUXGF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382554857 922807091 /nfs/dbraw/zinc/80/70/91/922807091.db2.gz DVAMISADLIUXGF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001382627095 922823163 /nfs/dbraw/zinc/82/31/63/922823163.db2.gz BVNIPTJPEZVENX-VXGBXAGGSA-N 2 1 323.397 -1.113 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1 ZINC001382632939 922825494 /nfs/dbraw/zinc/82/54/94/922825494.db2.gz UJTYYALZMSUBIF-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001383926282 922978699 /nfs/dbraw/zinc/97/86/99/922978699.db2.gz KVTSIMYJUPCUCI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383926282 922978718 /nfs/dbraw/zinc/97/87/18/922978718.db2.gz KVTSIMYJUPCUCI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383926282 922978732 /nfs/dbraw/zinc/97/87/32/922978732.db2.gz KVTSIMYJUPCUCI-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001385736837 923200615 /nfs/dbraw/zinc/20/06/15/923200615.db2.gz PBFVZSHBDNIMCK-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001385736837 923200625 /nfs/dbraw/zinc/20/06/25/923200625.db2.gz PBFVZSHBDNIMCK-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001388672616 923493808 /nfs/dbraw/zinc/49/38/08/923493808.db2.gz RIJVKQIIHCUSAH-CRWXNKLISA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001388672616 923493819 /nfs/dbraw/zinc/49/38/19/923493819.db2.gz RIJVKQIIHCUSAH-CRWXNKLISA-N 2 1 315.414 -1.191 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001388783633 923503112 /nfs/dbraw/zinc/50/31/12/923503112.db2.gz HXNDXBHQIZKWTF-MXWKQRLJSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(N)=O ZINC001388783633 923503121 /nfs/dbraw/zinc/50/31/21/923503121.db2.gz HXNDXBHQIZKWTF-MXWKQRLJSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(N)=O ZINC001388783633 923503131 /nfs/dbraw/zinc/50/31/31/923503131.db2.gz HXNDXBHQIZKWTF-MXWKQRLJSA-N 2 1 311.386 -1.288 20 0 DAADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(N)=O ZINC001388783633 923503136 /nfs/dbraw/zinc/50/31/36/923503136.db2.gz HXNDXBHQIZKWTF-MXWKQRLJSA-N 2 1 311.386 -1.288 20 0 DAADMP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001389482986 923636771 /nfs/dbraw/zinc/63/67/71/923636771.db2.gz BCTJBPGCIBCKSG-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001389482986 923636778 /nfs/dbraw/zinc/63/67/78/923636778.db2.gz BCTJBPGCIBCKSG-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685675 923665807 /nfs/dbraw/zinc/66/58/07/923665807.db2.gz IYGGUXZPYLOZOH-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685675 923665820 /nfs/dbraw/zinc/66/58/20/923665820.db2.gz IYGGUXZPYLOZOH-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001389883428 923692215 /nfs/dbraw/zinc/69/22/15/923692215.db2.gz LLQSMPUQHYNWSK-IHRRRGAJSA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390184955 923722096 /nfs/dbraw/zinc/72/20/96/923722096.db2.gz BDUHLUFZNVIOFH-ODXJTPSBSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390184955 923722106 /nfs/dbraw/zinc/72/21/06/923722106.db2.gz BDUHLUFZNVIOFH-ODXJTPSBSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390184955 923722113 /nfs/dbraw/zinc/72/21/13/923722113.db2.gz BDUHLUFZNVIOFH-ODXJTPSBSA-N 2 1 313.398 -1.629 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390184955 923722123 /nfs/dbraw/zinc/72/21/23/923722123.db2.gz BDUHLUFZNVIOFH-ODXJTPSBSA-N 2 1 313.398 -1.629 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390329612 923730143 /nfs/dbraw/zinc/73/01/43/923730143.db2.gz RTPYSCVVOWZLHU-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390329612 923730156 /nfs/dbraw/zinc/73/01/56/923730156.db2.gz RTPYSCVVOWZLHU-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001390566343 923757674 /nfs/dbraw/zinc/75/76/74/923757674.db2.gz XKYBYNYZIFBSFS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001391518052 923853820 /nfs/dbraw/zinc/85/38/20/923853820.db2.gz JDBIBDYCUHYQTC-KGLIPLIRSA-N 2 1 315.414 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001391518052 923853838 /nfs/dbraw/zinc/85/38/38/923853838.db2.gz JDBIBDYCUHYQTC-KGLIPLIRSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392125878 923938612 /nfs/dbraw/zinc/93/86/12/923938612.db2.gz QVAXITGIRGGANE-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392125880 923938773 /nfs/dbraw/zinc/93/87/73/923938773.db2.gz QVAXITGIRGGANE-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001392135287 923942167 /nfs/dbraw/zinc/94/21/67/923942167.db2.gz SDKXNTHZQOTOFW-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392365739 923977802 /nfs/dbraw/zinc/97/78/02/923977802.db2.gz OCNUGOLUQIEEGN-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392367308 923978159 /nfs/dbraw/zinc/97/81/59/923978159.db2.gz RSTHCUFUNXFMTN-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392365750 923979486 /nfs/dbraw/zinc/97/94/86/923979486.db2.gz OCNUGOLUQIEEGN-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392368397 923981159 /nfs/dbraw/zinc/98/11/59/923981159.db2.gz VFWRMUKFOBQSAS-NEPJUHHUSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392368397 923981169 /nfs/dbraw/zinc/98/11/69/923981169.db2.gz VFWRMUKFOBQSAS-NEPJUHHUSA-N 2 1 310.402 -1.041 20 0 DAADMP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001392376827 923988122 /nfs/dbraw/zinc/98/81/22/923988122.db2.gz RADHILNUVROJCT-OLZOCXBDSA-N 2 1 312.414 -1.232 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392377210 923988666 /nfs/dbraw/zinc/98/86/66/923988666.db2.gz RFDZINQEAXYFKJ-VXGBXAGGSA-N 2 1 323.401 -1.881 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392377205 923990080 /nfs/dbraw/zinc/99/00/80/923990080.db2.gz RFDZINQEAXYFKJ-RYUDHWBXSA-N 2 1 323.401 -1.881 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392403336 924014183 /nfs/dbraw/zinc/01/41/83/924014183.db2.gz UXUWSAWCIXWQHD-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001392407443 924016162 /nfs/dbraw/zinc/01/61/62/924016162.db2.gz HCVIEBQTYYNIFY-WDEREUQCSA-N 2 1 302.375 -2.351 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392427012 924028156 /nfs/dbraw/zinc/02/81/56/924028156.db2.gz SLRLKXQNPOQSJZ-CHWSQXEVSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392429979 924032063 /nfs/dbraw/zinc/03/20/63/924032063.db2.gz SQOFDDYVAFBNAI-UWVGGRQHSA-N 2 1 315.374 -2.540 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001392615934 924054515 /nfs/dbraw/zinc/05/45/15/924054515.db2.gz ATKMVARVCRTQGU-XQQFMLRXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC)C1 ZINC001392615934 924054525 /nfs/dbraw/zinc/05/45/25/924054525.db2.gz ATKMVARVCRTQGU-XQQFMLRXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393271703 924142892 /nfs/dbraw/zinc/14/28/92/924142892.db2.gz BVQBGOUWWPFZOT-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277011 924148353 /nfs/dbraw/zinc/14/83/53/924148353.db2.gz AFKHGTNAVILBRV-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393276888 924148836 /nfs/dbraw/zinc/14/88/36/924148836.db2.gz PEJRDOKETVVILM-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393276888 924148846 /nfs/dbraw/zinc/14/88/46/924148846.db2.gz PEJRDOKETVVILM-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393281479 924151743 /nfs/dbraw/zinc/15/17/43/924151743.db2.gz MZPTWAJHSPECNJ-CQSZACIVSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001393281479 924151748 /nfs/dbraw/zinc/15/17/48/924151748.db2.gz MZPTWAJHSPECNJ-CQSZACIVSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393281479 924151760 /nfs/dbraw/zinc/15/17/60/924151760.db2.gz MZPTWAJHSPECNJ-CQSZACIVSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393281479 924151765 /nfs/dbraw/zinc/15/17/65/924151765.db2.gz MZPTWAJHSPECNJ-CQSZACIVSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283302 924151854 /nfs/dbraw/zinc/15/18/54/924151854.db2.gz YJUAPLLKYOZBEX-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001393452035 924205652 /nfs/dbraw/zinc/20/56/52/924205652.db2.gz BPSSWVBFTWLAOU-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001393452035 924205666 /nfs/dbraw/zinc/20/56/66/924205666.db2.gz BPSSWVBFTWLAOU-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001393456699 924209283 /nfs/dbraw/zinc/20/92/83/924209283.db2.gz FFZWYDMHJPNJET-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001393469719 924214573 /nfs/dbraw/zinc/21/45/73/924214573.db2.gz ZPAWESRNMUBPNA-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001393850998 924262584 /nfs/dbraw/zinc/26/25/84/924262584.db2.gz ABJHMNFEZJBTER-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001393850998 924262595 /nfs/dbraw/zinc/26/25/95/924262595.db2.gz ABJHMNFEZJBTER-STQMWFEESA-N 2 1 324.425 -1.230 20 0 DAADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121203 924281589 /nfs/dbraw/zinc/28/15/89/924281589.db2.gz FURKHUHMESRKLT-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001394121203 924281596 /nfs/dbraw/zinc/28/15/96/924281596.db2.gz FURKHUHMESRKLT-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001394121203 924281604 /nfs/dbraw/zinc/28/16/04/924281604.db2.gz FURKHUHMESRKLT-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394121203 924281613 /nfs/dbraw/zinc/28/16/13/924281613.db2.gz FURKHUHMESRKLT-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001394136072 924283855 /nfs/dbraw/zinc/28/38/55/924283855.db2.gz MKCAPOBZZFFVKM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001394136072 924283862 /nfs/dbraw/zinc/28/38/62/924283862.db2.gz MKCAPOBZZFFVKM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394136072 924283868 /nfs/dbraw/zinc/28/38/68/924283868.db2.gz MKCAPOBZZFFVKM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394136072 924283873 /nfs/dbraw/zinc/28/38/73/924283873.db2.gz MKCAPOBZZFFVKM-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001394136073 924284070 /nfs/dbraw/zinc/28/40/70/924284070.db2.gz MKCAPOBZZFFVKM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001394136073 924284075 /nfs/dbraw/zinc/28/40/75/924284075.db2.gz MKCAPOBZZFFVKM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394136073 924284085 /nfs/dbraw/zinc/28/40/85/924284085.db2.gz MKCAPOBZZFFVKM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394136073 924284094 /nfs/dbraw/zinc/28/40/94/924284094.db2.gz MKCAPOBZZFFVKM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001394256766 924293460 /nfs/dbraw/zinc/29/34/60/924293460.db2.gz WVZVDVFMMORRET-UWVGGRQHSA-N 2 1 313.402 -1.042 20 0 DAADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001394312548 924296494 /nfs/dbraw/zinc/29/64/94/924296494.db2.gz AEKPPYPSCXMNQY-ZSOGYDGISA-N 2 1 324.425 -1.124 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571228 924311174 /nfs/dbraw/zinc/31/11/74/924311174.db2.gz KBMKEFQHOSRUPX-UONOGXRCSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001394571228 924311180 /nfs/dbraw/zinc/31/11/80/924311180.db2.gz KBMKEFQHOSRUPX-UONOGXRCSA-N 2 1 315.414 -1.190 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001394575357 924314381 /nfs/dbraw/zinc/31/43/81/924314381.db2.gz FZFJJTQKKSATSV-WCQYABFASA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001394575357 924314390 /nfs/dbraw/zinc/31/43/90/924314390.db2.gz FZFJJTQKKSATSV-WCQYABFASA-N 2 1 310.402 -1.041 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585318 924322057 /nfs/dbraw/zinc/32/20/57/924322057.db2.gz YONCMVOORPIPTK-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001394606069 924334310 /nfs/dbraw/zinc/33/43/10/924334310.db2.gz PEIFWPMYCSUYHG-QWHCGFSZSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001394657048 924357330 /nfs/dbraw/zinc/35/73/30/924357330.db2.gz NWSUNOLHEQQNQN-MNOVXSKESA-N 2 1 307.416 -1.951 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001394730351 924366408 /nfs/dbraw/zinc/36/64/08/924366408.db2.gz KXALRBPRGVZYAP-OLZOCXBDSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394730351 924366413 /nfs/dbraw/zinc/36/64/13/924366413.db2.gz KXALRBPRGVZYAP-OLZOCXBDSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394733501 924366843 /nfs/dbraw/zinc/36/68/43/924366843.db2.gz VISGSIVGKZIQMD-NEPJUHHUSA-N 2 1 300.403 -1.422 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394732187 924367203 /nfs/dbraw/zinc/36/72/03/924367203.db2.gz RDAIBQMBMLKDDK-CHWSQXEVSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394732187 924367212 /nfs/dbraw/zinc/36/72/12/924367212.db2.gz RDAIBQMBMLKDDK-CHWSQXEVSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001394784372 924388488 /nfs/dbraw/zinc/38/84/88/924388488.db2.gz NDINQHPOQZBPAV-GFCCVEGCSA-N 2 1 302.419 -1.223 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001394784372 924388497 /nfs/dbraw/zinc/38/84/97/924388497.db2.gz NDINQHPOQZBPAV-GFCCVEGCSA-N 2 1 302.419 -1.223 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395733526 924454050 /nfs/dbraw/zinc/45/40/50/924454050.db2.gz LWOXHWPIVMMJNL-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395733526 924454055 /nfs/dbraw/zinc/45/40/55/924454055.db2.gz LWOXHWPIVMMJNL-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001395733999 924454603 /nfs/dbraw/zinc/45/46/03/924454603.db2.gz DMPSADHQWZRPQG-STQMWFEESA-N 2 1 324.425 -1.373 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395737755 924456352 /nfs/dbraw/zinc/45/63/52/924456352.db2.gz QBJYYRWYLAIWQM-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395737754 924457122 /nfs/dbraw/zinc/45/71/22/924457122.db2.gz QBJYYRWYLAIWQM-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001396036102 924503694 /nfs/dbraw/zinc/50/36/94/924503694.db2.gz NKIAPSXNHRZJDU-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001396395647 924519226 /nfs/dbraw/zinc/51/92/26/924519226.db2.gz ZEYFUBHGLNMLPO-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001397112526 924556666 /nfs/dbraw/zinc/55/66/66/924556666.db2.gz IXYXLSNSSWJKRI-ZDEQEGDKSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001397112526 924556675 /nfs/dbraw/zinc/55/66/75/924556675.db2.gz IXYXLSNSSWJKRI-ZDEQEGDKSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001397704287 924596296 /nfs/dbraw/zinc/59/62/96/924596296.db2.gz LULKVHXQLBAYIS-YNEHKIRRSA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001397704287 924596302 /nfs/dbraw/zinc/59/63/02/924596302.db2.gz LULKVHXQLBAYIS-YNEHKIRRSA-N 2 1 312.414 -1.063 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001398430056 924640941 /nfs/dbraw/zinc/64/09/41/924640941.db2.gz ZMAKQIWYUXDGFG-NSHDSACASA-N 2 1 322.369 -1.129 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001398747852 924667781 /nfs/dbraw/zinc/66/77/81/924667781.db2.gz YQAXRQKYLPKABW-CYBMUJFWSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001398747852 924667785 /nfs/dbraw/zinc/66/77/85/924667785.db2.gz YQAXRQKYLPKABW-CYBMUJFWSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001398997778 924684724 /nfs/dbraw/zinc/68/47/24/924684724.db2.gz GECVGSSVVONAOJ-VIFPVBQESA-N 2 1 310.358 -1.259 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304273 924697070 /nfs/dbraw/zinc/69/70/70/924697070.db2.gz OSCVRTOSDHMEIF-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001399304273 924697079 /nfs/dbraw/zinc/69/70/79/924697079.db2.gz OSCVRTOSDHMEIF-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001399484262 924706250 /nfs/dbraw/zinc/70/62/50/924706250.db2.gz NQDDBDQGXHOHFJ-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC001399484262 924706260 /nfs/dbraw/zinc/70/62/60/924706260.db2.gz NQDDBDQGXHOHFJ-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC001399484262 924706265 /nfs/dbraw/zinc/70/62/65/924706265.db2.gz NQDDBDQGXHOHFJ-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC001399484262 924706271 /nfs/dbraw/zinc/70/62/71/924706271.db2.gz NQDDBDQGXHOHFJ-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001399829763 924740337 /nfs/dbraw/zinc/74/03/37/924740337.db2.gz IHEQTUCHOZIHEY-CHWSQXEVSA-N 2 1 324.425 -1.373 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001399829772 924740384 /nfs/dbraw/zinc/74/03/84/924740384.db2.gz IHEQTUCHOZIHEY-OLZOCXBDSA-N 2 1 324.425 -1.373 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001399831616 924741473 /nfs/dbraw/zinc/74/14/73/924741473.db2.gz VXALYVXUINOOHR-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001399831616 924741475 /nfs/dbraw/zinc/74/14/75/924741475.db2.gz VXALYVXUINOOHR-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001399831616 924741478 /nfs/dbraw/zinc/74/14/78/924741478.db2.gz VXALYVXUINOOHR-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001399831616 924741487 /nfs/dbraw/zinc/74/14/87/924741487.db2.gz VXALYVXUINOOHR-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399858596 924747034 /nfs/dbraw/zinc/74/70/34/924747034.db2.gz SBVMZKTUVKHSBX-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399858596 924747041 /nfs/dbraw/zinc/74/70/41/924747041.db2.gz SBVMZKTUVKHSBX-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399858596 924747049 /nfs/dbraw/zinc/74/70/49/924747049.db2.gz SBVMZKTUVKHSBX-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001400088073 924770814 /nfs/dbraw/zinc/77/08/14/924770814.db2.gz PMWVUVSFMDBBAQ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001400088073 924770819 /nfs/dbraw/zinc/77/08/19/924770819.db2.gz PMWVUVSFMDBBAQ-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CNC(=O)CN1CC[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001400685226 924823816 /nfs/dbraw/zinc/82/38/16/924823816.db2.gz CUODFLNXEMAMTH-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)CN1CC[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001400685227 924825539 /nfs/dbraw/zinc/82/55/39/924825539.db2.gz CUODFLNXEMAMTH-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401123080 924843547 /nfs/dbraw/zinc/84/35/47/924843547.db2.gz IYOCKWOHJHLXGG-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001401147688 924843593 /nfs/dbraw/zinc/84/35/93/924843593.db2.gz YWWCBLMVWDRWSV-SECBINFHSA-N 2 1 310.358 -1.272 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254814 924854129 /nfs/dbraw/zinc/85/41/29/924854129.db2.gz OUTVHBBVERZGPE-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001401254814 924854137 /nfs/dbraw/zinc/85/41/37/924854137.db2.gz OUTVHBBVERZGPE-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555591 924887641 /nfs/dbraw/zinc/88/76/41/924887641.db2.gz LSZIZESTPQCBIY-WDEREUQCSA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555591 924887648 /nfs/dbraw/zinc/88/76/48/924887648.db2.gz LSZIZESTPQCBIY-WDEREUQCSA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555585 924887876 /nfs/dbraw/zinc/88/78/76/924887876.db2.gz LSZIZESTPQCBIY-GHMZBOCLSA-N 2 1 311.390 -1.881 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001401555585 924887883 /nfs/dbraw/zinc/88/78/83/924887883.db2.gz LSZIZESTPQCBIY-GHMZBOCLSA-N 2 1 311.390 -1.881 20 0 DAADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001401560299 924890810 /nfs/dbraw/zinc/89/08/10/924890810.db2.gz NKTMNKIWMKSGTM-VXGBXAGGSA-N 2 1 300.403 -1.199 20 0 DAADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001401563094 924891908 /nfs/dbraw/zinc/89/19/08/924891908.db2.gz VMHHJXMEZIUNOL-IINYFYTJSA-N 2 1 318.393 -1.249 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401563453 924892652 /nfs/dbraw/zinc/89/26/52/924892652.db2.gz HXAJTZWLSSXING-SDDRHHMPSA-N 2 1 300.403 -1.471 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001401588941 924903395 /nfs/dbraw/zinc/90/33/95/924903395.db2.gz TVMYMGMYINFXSU-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001401588941 924903402 /nfs/dbraw/zinc/90/34/02/924903402.db2.gz TVMYMGMYINFXSU-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001401589448 924904305 /nfs/dbraw/zinc/90/43/05/924904305.db2.gz XLAWLNSVTGWAPY-WCQYABFASA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001401589448 924904310 /nfs/dbraw/zinc/90/43/10/924904310.db2.gz XLAWLNSVTGWAPY-WCQYABFASA-N 2 1 310.402 -1.184 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001401637956 924910507 /nfs/dbraw/zinc/91/05/07/924910507.db2.gz SEVOENHFERCNOI-PSASIEDQSA-N 2 1 310.358 -1.131 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402318499 924972502 /nfs/dbraw/zinc/97/25/02/924972502.db2.gz PSSCKZGGOUPOFB-OAHLLOKOSA-N 2 1 310.398 -1.619 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402318499 924972508 /nfs/dbraw/zinc/97/25/08/924972508.db2.gz PSSCKZGGOUPOFB-OAHLLOKOSA-N 2 1 310.398 -1.619 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001402430803 924994100 /nfs/dbraw/zinc/99/41/00/924994100.db2.gz IETPEBJXEWQONU-GFCCVEGCSA-N 2 1 311.430 -1.406 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001402431686 924994445 /nfs/dbraw/zinc/99/44/45/924994445.db2.gz IQLZNQMFAZVIQR-UHFFFAOYSA-N 2 1 313.446 -1.018 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCN2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001402430860 924995492 /nfs/dbraw/zinc/99/54/92/924995492.db2.gz IETPEBJXEWQONU-LBPRGKRZSA-N 2 1 311.430 -1.406 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402500194 925005238 /nfs/dbraw/zinc/00/52/38/925005238.db2.gz QYNRJKOLJWWDKD-FDYHWXHSSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402500194 925005246 /nfs/dbraw/zinc/00/52/46/925005246.db2.gz QYNRJKOLJWWDKD-FDYHWXHSSA-N 2 1 301.387 -1.439 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001402595881 925015662 /nfs/dbraw/zinc/01/56/62/925015662.db2.gz KONJVIRXFFXPNO-KBPBESRZSA-N 2 1 324.425 -1.013 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001402595675 925016327 /nfs/dbraw/zinc/01/63/27/925016327.db2.gz JNPVFEZTXSVWQJ-LBPRGKRZSA-N 2 1 309.370 -1.245 20 0 DAADMP CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402753768 925026728 /nfs/dbraw/zinc/02/67/28/925026728.db2.gz YLVILDBXXHVSQF-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402758587 925026858 /nfs/dbraw/zinc/02/68/58/925026858.db2.gz KBGVXHPGRYNRQS-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402758587 925026867 /nfs/dbraw/zinc/02/68/67/925026867.db2.gz KBGVXHPGRYNRQS-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402889895 925038342 /nfs/dbraw/zinc/03/83/42/925038342.db2.gz IPVKWNOZWAQEBG-NEPJUHHUSA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402889895 925038352 /nfs/dbraw/zinc/03/83/52/925038352.db2.gz IPVKWNOZWAQEBG-NEPJUHHUSA-N 2 1 312.414 -1.245 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403144157 925055687 /nfs/dbraw/zinc/05/56/87/925055687.db2.gz QQVRKEBPTQRSHN-SECBINFHSA-N 2 1 310.358 -1.259 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001403248524 925066196 /nfs/dbraw/zinc/06/61/96/925066196.db2.gz CEMQOBWIUXIOMM-NSHDSACASA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001403243464 925066449 /nfs/dbraw/zinc/06/64/49/925066449.db2.gz FWEAEOCCWBNTDT-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403624190 925091587 /nfs/dbraw/zinc/09/15/87/925091587.db2.gz OEMMXEHRMCDPFT-SNVBAGLBSA-N 2 1 301.391 -1.042 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001403690993 925118109 /nfs/dbraw/zinc/11/81/09/925118109.db2.gz YEPHLEGWVNWBJN-LBPRGKRZSA-N 2 1 307.358 -1.450 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001403690991 925119152 /nfs/dbraw/zinc/11/91/52/925119152.db2.gz YEPHLEGWVNWBJN-GFCCVEGCSA-N 2 1 307.358 -1.450 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001403697214 925121140 /nfs/dbraw/zinc/12/11/40/925121140.db2.gz AFXINPCGZBLWQP-ZIAGYGMSSA-N 2 1 315.414 -1.188 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)C1 ZINC001403751505 925137096 /nfs/dbraw/zinc/13/70/96/925137096.db2.gz QVYOAYUVSPTTMM-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001403852952 925153744 /nfs/dbraw/zinc/15/37/44/925153744.db2.gz RTWRYOCJMZBJCL-CYBMUJFWSA-N 2 1 321.385 -1.071 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001403854520 925155071 /nfs/dbraw/zinc/15/50/71/925155071.db2.gz RPVJNQBYIVSRON-NEPJUHHUSA-N 2 1 300.403 -1.245 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403856066 925156089 /nfs/dbraw/zinc/15/60/89/925156089.db2.gz RCXGMCDZYVBEAI-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001403878597 925162472 /nfs/dbraw/zinc/16/24/72/925162472.db2.gz KSNFJNHHOSNXIX-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001403878595 925162489 /nfs/dbraw/zinc/16/24/89/925162489.db2.gz KSNFJNHHOSNXIX-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001403892892 925167152 /nfs/dbraw/zinc/16/71/52/925167152.db2.gz IIISOCYSHZBWCX-CHWSQXEVSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001403892892 925167163 /nfs/dbraw/zinc/16/71/63/925167163.db2.gz IIISOCYSHZBWCX-CHWSQXEVSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403892892 925167169 /nfs/dbraw/zinc/16/71/69/925167169.db2.gz IIISOCYSHZBWCX-CHWSQXEVSA-N 2 1 314.430 -1.080 20 0 DAADMP CN(C)C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001403892892 925167175 /nfs/dbraw/zinc/16/71/75/925167175.db2.gz IIISOCYSHZBWCX-CHWSQXEVSA-N 2 1 314.430 -1.080 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404041512 925179535 /nfs/dbraw/zinc/17/95/35/925179535.db2.gz PCQBLVRBUDYNEN-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404041512 925179539 /nfs/dbraw/zinc/17/95/39/925179539.db2.gz PCQBLVRBUDYNEN-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404041512 925179544 /nfs/dbraw/zinc/17/95/44/925179544.db2.gz PCQBLVRBUDYNEN-MNOVXSKESA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001404041520 925179863 /nfs/dbraw/zinc/17/98/63/925179863.db2.gz PCQBLVRBUDYNEN-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404041520 925179875 /nfs/dbraw/zinc/17/98/75/925179875.db2.gz PCQBLVRBUDYNEN-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404041520 925179879 /nfs/dbraw/zinc/17/98/79/925179879.db2.gz PCQBLVRBUDYNEN-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001404590245 925206654 /nfs/dbraw/zinc/20/66/54/925206654.db2.gz KOJUZMMZPBWDLY-LLVKDONJSA-N 2 1 313.402 -1.087 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405334812 925290001 /nfs/dbraw/zinc/29/00/01/925290001.db2.gz LMPIMIFNNNZOIH-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406217646 925360487 /nfs/dbraw/zinc/36/04/87/925360487.db2.gz NGQOIQATTRRTCN-JHJVBQTASA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406244072 925373644 /nfs/dbraw/zinc/37/36/44/925373644.db2.gz MMFFBVCSZCADCB-ZDUSSCGKSA-N 2 1 310.402 -1.134 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001406252545 925376536 /nfs/dbraw/zinc/37/65/36/925376536.db2.gz XUCRRZPMUVPQFB-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001406255356 925378543 /nfs/dbraw/zinc/37/85/43/925378543.db2.gz ZFTSASUOLIBHGT-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406255356 925378553 /nfs/dbraw/zinc/37/85/53/925378553.db2.gz ZFTSASUOLIBHGT-LBPRGKRZSA-N 2 1 310.402 -1.134 20 0 DAADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406254108 925378850 /nfs/dbraw/zinc/37/88/50/925378850.db2.gz MTPBUGGENQRIQU-NWDGAFQWSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001406315692 925401331 /nfs/dbraw/zinc/40/13/31/925401331.db2.gz ZFPUPEFYSRSDLC-VXGBXAGGSA-N 2 1 302.419 -1.130 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001406426348 925414674 /nfs/dbraw/zinc/41/46/74/925414674.db2.gz ATKMVARVCRTQGU-FRRDWIJNSA-N 2 1 303.403 -1.191 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)C1 ZINC001406426348 925414678 /nfs/dbraw/zinc/41/46/78/925414678.db2.gz ATKMVARVCRTQGU-FRRDWIJNSA-N 2 1 303.403 -1.191 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001406565246 925422785 /nfs/dbraw/zinc/42/27/85/925422785.db2.gz VLWDQMAGXBURMF-VIFPVBQESA-N 2 1 310.358 -1.259 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001406693618 925428072 /nfs/dbraw/zinc/42/80/72/925428072.db2.gz MQUBUBXULULJJO-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001406693618 925428076 /nfs/dbraw/zinc/42/80/76/925428076.db2.gz MQUBUBXULULJJO-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406693618 925428082 /nfs/dbraw/zinc/42/80/82/925428082.db2.gz MQUBUBXULULJJO-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406693618 925428087 /nfs/dbraw/zinc/42/80/87/925428087.db2.gz MQUBUBXULULJJO-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406709346 925429006 /nfs/dbraw/zinc/42/90/06/925429006.db2.gz UXMYGFYJTGSKJF-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001406709346 925429016 /nfs/dbraw/zinc/42/90/16/925429016.db2.gz UXMYGFYJTGSKJF-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406709346 925429025 /nfs/dbraw/zinc/42/90/25/925429025.db2.gz UXMYGFYJTGSKJF-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406709346 925429039 /nfs/dbraw/zinc/42/90/39/925429039.db2.gz UXMYGFYJTGSKJF-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001407115864 925453287 /nfs/dbraw/zinc/45/32/87/925453287.db2.gz SSGRMABIFWWTLD-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001407866685 925531226 /nfs/dbraw/zinc/53/12/26/925531226.db2.gz RVSJWHDCVMYPNY-NEPJUHHUSA-N 2 1 309.370 -1.118 20 0 DAADMP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001407923314 925535297 /nfs/dbraw/zinc/53/52/97/925535297.db2.gz HTEKHKDZGRHDQR-UHFFFAOYSA-N 2 1 301.391 -1.087 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001408087009 925545710 /nfs/dbraw/zinc/54/57/10/925545710.db2.gz ULMBDVSDYIUNNG-WDEREUQCSA-N 2 1 313.402 -1.042 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001408147387 925550829 /nfs/dbraw/zinc/55/08/29/925550829.db2.gz WGSSZLCYAHESDE-GFCCVEGCSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075271 925673713 /nfs/dbraw/zinc/67/37/13/925673713.db2.gz CUAFNVITBCFSEB-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075169 925673791 /nfs/dbraw/zinc/67/37/91/925673791.db2.gz CUAFNVITBCFSEB-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410128921 925690598 /nfs/dbraw/zinc/69/05/98/925690598.db2.gz LWPDMGLYKLRWAK-NEPJUHHUSA-N 2 1 300.403 -1.517 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410611499 925740173 /nfs/dbraw/zinc/74/01/73/925740173.db2.gz BPLZWPHOUBQYMJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410611499 925740180 /nfs/dbraw/zinc/74/01/80/925740180.db2.gz BPLZWPHOUBQYMJ-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410611444 925740316 /nfs/dbraw/zinc/74/03/16/925740316.db2.gz BPLZWPHOUBQYMJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410611444 925740322 /nfs/dbraw/zinc/74/03/22/925740322.db2.gz BPLZWPHOUBQYMJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410611473 925741148 /nfs/dbraw/zinc/74/11/48/925741148.db2.gz BPLZWPHOUBQYMJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410611473 925741158 /nfs/dbraw/zinc/74/11/58/925741158.db2.gz BPLZWPHOUBQYMJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001410698127 925758863 /nfs/dbraw/zinc/75/88/63/925758863.db2.gz IVVXUHMHZCJSIB-QWRGUYRKSA-N 2 1 300.403 -1.199 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001410754561 925771344 /nfs/dbraw/zinc/77/13/44/925771344.db2.gz OTMHBJOZYQYNLC-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410756277 925774543 /nfs/dbraw/zinc/77/45/43/925774543.db2.gz JRGPZFCQJGKCQE-CYBMUJFWSA-N 2 1 314.430 -1.079 20 0 DAADMP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775829 925778048 /nfs/dbraw/zinc/77/80/48/925778048.db2.gz AJZZRDWDOVXIAY-NWDGAFQWSA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001411036775 925802997 /nfs/dbraw/zinc/80/29/97/925802997.db2.gz BSRREHCTTIDDBF-CMPLNLGQSA-N 2 1 300.403 -1.247 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001411042506 925804395 /nfs/dbraw/zinc/80/43/95/925804395.db2.gz AMYKRPVIZNHQES-ZDUSSCGKSA-N 2 1 323.397 -1.167 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001411042503 925805491 /nfs/dbraw/zinc/80/54/91/925805491.db2.gz AMYKRPVIZNHQES-CYBMUJFWSA-N 2 1 323.397 -1.167 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C[NH+]1CCCC1 ZINC001411130672 925815615 /nfs/dbraw/zinc/81/56/15/925815615.db2.gz UASCDABHZQBKQM-LBPRGKRZSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411138478 925819161 /nfs/dbraw/zinc/81/91/61/925819161.db2.gz LVEWAOCBNPMCPJ-CHWSQXEVSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177649 925828506 /nfs/dbraw/zinc/82/85/06/925828506.db2.gz DBPZLRKZWAMTMX-STQMWFEESA-N 2 1 324.425 -1.278 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O ZINC001411180202 925830920 /nfs/dbraw/zinc/83/09/20/925830920.db2.gz OEYUIJBOMVNAOI-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001411180202 925830927 /nfs/dbraw/zinc/83/09/27/925830927.db2.gz OEYUIJBOMVNAOI-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001411180202 925830934 /nfs/dbraw/zinc/83/09/34/925830934.db2.gz OEYUIJBOMVNAOI-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190820 925832022 /nfs/dbraw/zinc/83/20/22/925832022.db2.gz NOAAAPOWLLYPGU-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001411216461 925833546 /nfs/dbraw/zinc/83/35/46/925833546.db2.gz NXEVSHFNUQGPKN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C[C@@H](C)O ZINC001411216461 925833554 /nfs/dbraw/zinc/83/35/54/925833554.db2.gz NXEVSHFNUQGPKN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O ZINC001411216461 925833564 /nfs/dbraw/zinc/83/35/64/925833564.db2.gz NXEVSHFNUQGPKN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O ZINC001411216461 925833572 /nfs/dbraw/zinc/83/35/72/925833572.db2.gz NXEVSHFNUQGPKN-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001413106592 926011258 /nfs/dbraw/zinc/01/12/58/926011258.db2.gz FVSLAYGEMMQGII-LBPRGKRZSA-N 2 1 309.418 -1.121 20 0 DAADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001413106587 926011451 /nfs/dbraw/zinc/01/14/51/926011451.db2.gz FVSLAYGEMMQGII-GFCCVEGCSA-N 2 1 309.418 -1.121 20 0 DAADMP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC[NH+](C)C ZINC001413326639 926037323 /nfs/dbraw/zinc/03/73/23/926037323.db2.gz COSACQPYPORIEO-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP C[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)CN1CC[NH+](C)CC1 ZINC001414078123 926105527 /nfs/dbraw/zinc/10/55/27/926105527.db2.gz SPWRFVQJVZUHMN-GFCCVEGCSA-N 2 1 309.418 -1.264 20 0 DAADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415605076 926197957 /nfs/dbraw/zinc/19/79/57/926197957.db2.gz AHSUZYQVODSSQK-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415605076 926197958 /nfs/dbraw/zinc/19/79/58/926197958.db2.gz AHSUZYQVODSSQK-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001416742505 926259661 /nfs/dbraw/zinc/25/96/61/926259661.db2.gz MRBLQOLANVFGIS-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416742505 926259666 /nfs/dbraw/zinc/25/96/66/926259666.db2.gz MRBLQOLANVFGIS-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783466 926274573 /nfs/dbraw/zinc/27/45/73/926274573.db2.gz XGQUQRHBQLHCDF-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783468 926275086 /nfs/dbraw/zinc/27/50/86/926275086.db2.gz XGQUQRHBQLHCDF-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783457 926275175 /nfs/dbraw/zinc/27/51/75/926275175.db2.gz XGQUQRHBQLHCDF-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416798470 926276752 /nfs/dbraw/zinc/27/67/52/926276752.db2.gz SRSWHSUKCGPBRY-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416798470 926276758 /nfs/dbraw/zinc/27/67/58/926276758.db2.gz SRSWHSUKCGPBRY-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NC(N)=O ZINC001418294967 926380021 /nfs/dbraw/zinc/38/00/21/926380021.db2.gz WUHPZDAWTVORSQ-SNVBAGLBSA-N 2 1 315.374 -2.002 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001418435773 926389081 /nfs/dbraw/zinc/38/90/81/926389081.db2.gz BSJCZLRBRTXRAI-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001418435773 926389091 /nfs/dbraw/zinc/38/90/91/926389091.db2.gz BSJCZLRBRTXRAI-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419578113 926489543 /nfs/dbraw/zinc/48/95/43/926489543.db2.gz VDARRIPHBYNQTG-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419578113 926489547 /nfs/dbraw/zinc/48/95/47/926489547.db2.gz VDARRIPHBYNQTG-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001419874144 926505619 /nfs/dbraw/zinc/50/56/19/926505619.db2.gz HRKNRFAGDIARGR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001419874142 926506313 /nfs/dbraw/zinc/50/63/13/926506313.db2.gz HRKNRFAGDIARGR-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O ZINC001419927699 926509370 /nfs/dbraw/zinc/50/93/70/926509370.db2.gz SIXDMHJIMXHPGV-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001419962818 926513309 /nfs/dbraw/zinc/51/33/09/926513309.db2.gz GNDHMEXTXGWFTN-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001420020321 926517477 /nfs/dbraw/zinc/51/74/77/926517477.db2.gz UUSHARVBASARRX-WDEREUQCSA-N 2 1 311.386 -1.429 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420119194 926529191 /nfs/dbraw/zinc/52/91/91/926529191.db2.gz ZWBKNLPFFBVGDM-STQMWFEESA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001420131996 926535812 /nfs/dbraw/zinc/53/58/12/926535812.db2.gz WSGAHVOMZIERCW-OPRDCNLKSA-N 2 1 315.374 -2.412 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420157933 926546523 /nfs/dbraw/zinc/54/65/23/926546523.db2.gz SAFVUXGQJJDBSF-IGQOVBAYSA-N 2 1 317.430 -1.209 20 0 DAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC2 ZINC001420156038 926546542 /nfs/dbraw/zinc/54/65/42/926546542.db2.gz PBUHYHBWELJZKO-CMPLNLGQSA-N 2 1 309.370 -1.694 20 0 DAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC2 ZINC001420156043 926547161 /nfs/dbraw/zinc/54/71/61/926547161.db2.gz PBUHYHBWELJZKO-JQWIXIFHSA-N 2 1 309.370 -1.694 20 0 DAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C2 ZINC001420172091 926551966 /nfs/dbraw/zinc/55/19/66/926551966.db2.gz JXJSFPNRVSYJLZ-JQWIXIFHSA-N 2 1 309.370 -1.694 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420185756 926555802 /nfs/dbraw/zinc/55/58/02/926555802.db2.gz ANKYOOOCQXRKDH-OLZOCXBDSA-N 2 1 314.430 -1.223 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420185759 926556269 /nfs/dbraw/zinc/55/62/69/926556269.db2.gz ANKYOOOCQXRKDH-QWHCGFSZSA-N 2 1 314.430 -1.223 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001420214367 926567322 /nfs/dbraw/zinc/56/73/22/926567322.db2.gz LDBYRIYTYKZCAF-ZDUSSCGKSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001420214365 926568504 /nfs/dbraw/zinc/56/85/04/926568504.db2.gz LDBYRIYTYKZCAF-CYBMUJFWSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001420266524 926572289 /nfs/dbraw/zinc/57/22/89/926572289.db2.gz NSQHUZXXFIDLDL-AAEUAGOBSA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001420738087 926612277 /nfs/dbraw/zinc/61/22/77/926612277.db2.gz CZBZCSLIKFGCJO-VIFPVBQESA-N 2 1 310.358 -1.177 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389059 926682222 /nfs/dbraw/zinc/68/22/22/926682222.db2.gz LWRNLKKPSQNUEX-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389059 926682232 /nfs/dbraw/zinc/68/22/32/926682232.db2.gz LWRNLKKPSQNUEX-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001421389059 926682245 /nfs/dbraw/zinc/68/22/45/926682245.db2.gz LWRNLKKPSQNUEX-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389059 926682254 /nfs/dbraw/zinc/68/22/54/926682254.db2.gz LWRNLKKPSQNUEX-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389017 926684409 /nfs/dbraw/zinc/68/44/09/926684409.db2.gz DQUJUBIXTJHHAU-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421389017 926684418 /nfs/dbraw/zinc/68/44/18/926684418.db2.gz DQUJUBIXTJHHAU-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCn3cncn3)C2)C1 ZINC001421396462 926688380 /nfs/dbraw/zinc/68/83/80/926688380.db2.gz ZLRTWSFQBCNAJR-ZFWWWQNUSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCn3cncn3)C2)C1 ZINC001421396462 926688387 /nfs/dbraw/zinc/68/83/87/926688387.db2.gz ZLRTWSFQBCNAJR-ZFWWWQNUSA-N 2 1 322.413 -1.217 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)C1 ZINC001421396462 926688393 /nfs/dbraw/zinc/68/83/93/926688393.db2.gz ZLRTWSFQBCNAJR-ZFWWWQNUSA-N 2 1 322.413 -1.217 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001421802363 926756772 /nfs/dbraw/zinc/75/67/72/926756772.db2.gz LRLBRVCUGKWVMG-NSHDSACASA-N 2 1 311.390 -1.521 20 0 DAADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001422048482 926783211 /nfs/dbraw/zinc/78/32/11/926783211.db2.gz LOHIIMGBYCCLNC-PHIMTYICSA-N 2 1 311.386 -2.285 20 0 DAADMP CNC(=O)C[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001422191458 926795660 /nfs/dbraw/zinc/79/56/60/926795660.db2.gz DPFITHLYLUQEEQ-UHFFFAOYSA-N 2 1 324.425 -1.229 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278952 926810729 /nfs/dbraw/zinc/81/07/29/926810729.db2.gz WDFFTCCDVKFXJQ-RYUDHWBXSA-N 2 1 314.386 -2.384 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278952 926810736 /nfs/dbraw/zinc/81/07/36/926810736.db2.gz WDFFTCCDVKFXJQ-RYUDHWBXSA-N 2 1 314.386 -2.384 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422339334 926837411 /nfs/dbraw/zinc/83/74/11/926837411.db2.gz YMMFHKINEZAJKQ-LBPRGKRZSA-N 2 1 309.370 -1.509 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001422350548 926844064 /nfs/dbraw/zinc/84/40/64/926844064.db2.gz VVUBZNXOKOJQIR-GFCCVEGCSA-N 2 1 310.402 -1.276 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001422408850 926866086 /nfs/dbraw/zinc/86/60/86/926866086.db2.gz WDGAGIZKBFCVIY-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422406137 926866536 /nfs/dbraw/zinc/86/65/36/926866536.db2.gz XECVDLYDJJZTIN-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422406137 926866558 /nfs/dbraw/zinc/86/65/58/926866558.db2.gz XECVDLYDJJZTIN-NEPJUHHUSA-N 2 1 310.402 -1.276 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001422408855 926866853 /nfs/dbraw/zinc/86/68/53/926866853.db2.gz WDGAGIZKBFCVIY-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[NH+](C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001422432436 926874272 /nfs/dbraw/zinc/87/42/72/926874272.db2.gz XFYUYXUPPQLXMG-TZMCWYRMSA-N 2 1 308.382 -1.159 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001422598840 926890496 /nfs/dbraw/zinc/89/04/96/926890496.db2.gz NBOKJIQZLVPSRH-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001422598840 926890512 /nfs/dbraw/zinc/89/05/12/926890512.db2.gz NBOKJIQZLVPSRH-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001422605192 926892624 /nfs/dbraw/zinc/89/26/24/926892624.db2.gz RVFWZFUSPGMJIQ-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001422605192 926892638 /nfs/dbraw/zinc/89/26/38/926892638.db2.gz RVFWZFUSPGMJIQ-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP C[C@@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422936044 926931878 /nfs/dbraw/zinc/93/18/78/926931878.db2.gz NSFREQDDMIAHCR-WDEREUQCSA-N 2 1 310.402 -1.003 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CC[N@H+]1C ZINC001423212749 926973379 /nfs/dbraw/zinc/97/33/79/926973379.db2.gz LOPHKKVSORQIHR-JHJVBQTASA-N 2 1 310.402 -1.315 20 0 DAADMP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423221122 926978792 /nfs/dbraw/zinc/97/87/92/926978792.db2.gz QWHLKHYDYRGNIT-JHJVBQTASA-N 2 1 314.430 -1.128 20 0 DAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001423228339 926983627 /nfs/dbraw/zinc/98/36/27/926983627.db2.gz KYJIYCCORPKJHK-LBPRGKRZSA-N 2 1 312.414 -1.182 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001423282167 927013253 /nfs/dbraw/zinc/01/32/53/927013253.db2.gz JTPFLOXHJOMFAB-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423300023 927022560 /nfs/dbraw/zinc/02/25/60/927022560.db2.gz HAYYVOPITZYHBH-VXGBXAGGSA-N 2 1 300.403 -1.469 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001423434091 927048447 /nfs/dbraw/zinc/04/84/47/927048447.db2.gz OGMMUSOAIIHQSQ-MNOVXSKESA-N 2 1 302.375 -2.528 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001423434091 927048455 /nfs/dbraw/zinc/04/84/55/927048455.db2.gz OGMMUSOAIIHQSQ-MNOVXSKESA-N 2 1 302.375 -2.528 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423445919 927055038 /nfs/dbraw/zinc/05/50/38/927055038.db2.gz QAMXRGDBWCFVGO-IJLUTSLNSA-N 2 1 300.403 -1.519 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423487767 927073826 /nfs/dbraw/zinc/07/38/26/927073826.db2.gz UZNDJFHIVJWUSR-NWDGAFQWSA-N 2 1 300.403 -1.565 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001423492680 927076392 /nfs/dbraw/zinc/07/63/92/927076392.db2.gz IGILOQFQGDQZFS-VXGBXAGGSA-N 2 1 300.403 -1.376 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001423492675 927078134 /nfs/dbraw/zinc/07/81/34/927078134.db2.gz IGILOQFQGDQZFS-RYUDHWBXSA-N 2 1 300.403 -1.376 20 0 DAADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001423640293 927102194 /nfs/dbraw/zinc/10/21/94/927102194.db2.gz FKZYJCBOULTWTI-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001423640293 927102204 /nfs/dbraw/zinc/10/22/04/927102204.db2.gz FKZYJCBOULTWTI-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640293 927102213 /nfs/dbraw/zinc/10/22/13/927102213.db2.gz FKZYJCBOULTWTI-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640293 927102224 /nfs/dbraw/zinc/10/22/24/927102224.db2.gz FKZYJCBOULTWTI-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001424049049 927188624 /nfs/dbraw/zinc/18/86/24/927188624.db2.gz JNDQYBARKHXFLC-QWHCGFSZSA-N 2 1 312.414 -1.421 20 0 DAADMP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001424049047 927188929 /nfs/dbraw/zinc/18/89/29/927188929.db2.gz JNDQYBARKHXFLC-OLZOCXBDSA-N 2 1 312.414 -1.421 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001424052217 927188980 /nfs/dbraw/zinc/18/89/80/927188980.db2.gz NRXZTIIBKVJVNO-LBPRGKRZSA-N 2 1 309.370 -1.509 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425331799 927320889 /nfs/dbraw/zinc/32/08/89/927320889.db2.gz UKKLEQMOQVJWOB-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425331799 927320901 /nfs/dbraw/zinc/32/09/01/927320901.db2.gz UKKLEQMOQVJWOB-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425331805 927321061 /nfs/dbraw/zinc/32/10/61/927321061.db2.gz UKKLEQMOQVJWOB-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425331805 927321078 /nfs/dbraw/zinc/32/10/78/927321078.db2.gz UKKLEQMOQVJWOB-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001425400796 927349310 /nfs/dbraw/zinc/34/93/10/927349310.db2.gz YFIJVGZTLJVIGG-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001425400796 927349323 /nfs/dbraw/zinc/34/93/23/927349323.db2.gz YFIJVGZTLJVIGG-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001425411492 927352931 /nfs/dbraw/zinc/35/29/31/927352931.db2.gz MWLGLTKISSIKJZ-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425411492 927352952 /nfs/dbraw/zinc/35/29/52/927352952.db2.gz MWLGLTKISSIKJZ-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425411492 927352960 /nfs/dbraw/zinc/35/29/60/927352960.db2.gz MWLGLTKISSIKJZ-STQMWFEESA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001425411487 927353331 /nfs/dbraw/zinc/35/33/31/927353331.db2.gz MWLGLTKISSIKJZ-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425411487 927353346 /nfs/dbraw/zinc/35/33/46/927353346.db2.gz MWLGLTKISSIKJZ-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425411487 927353360 /nfs/dbraw/zinc/35/33/60/927353360.db2.gz MWLGLTKISSIKJZ-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001425496365 927382303 /nfs/dbraw/zinc/38/23/03/927382303.db2.gz RYQBTGZZKCNGBD-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001425766516 927434863 /nfs/dbraw/zinc/43/48/63/927434863.db2.gz QQVLHLAILAVTQK-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001425775965 927440276 /nfs/dbraw/zinc/44/02/76/927440276.db2.gz CQLSCRSSIWRRJS-VXGBXAGGSA-N 2 1 311.386 -1.265 20 0 DAADMP C[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001425829002 927465020 /nfs/dbraw/zinc/46/50/20/927465020.db2.gz XWUZDVXKOJLOTD-NEPJUHHUSA-N 2 1 300.403 -1.197 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425848337 927476039 /nfs/dbraw/zinc/47/60/39/927476039.db2.gz ZXTHZRBUTQFEOQ-RYUDHWBXSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425848337 927476044 /nfs/dbraw/zinc/47/60/44/927476044.db2.gz ZXTHZRBUTQFEOQ-RYUDHWBXSA-N 2 1 310.402 -1.184 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001425978314 927495365 /nfs/dbraw/zinc/49/53/65/927495365.db2.gz CZCIXZPFDFITGY-VXGBXAGGSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425978314 927495373 /nfs/dbraw/zinc/49/53/73/927495373.db2.gz CZCIXZPFDFITGY-VXGBXAGGSA-N 2 1 310.402 -1.182 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001426029967 927511096 /nfs/dbraw/zinc/51/10/96/927511096.db2.gz NXTAAGOUTUITKD-ZDUSSCGKSA-N 2 1 323.397 -1.121 20 0 DAADMP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001426051706 927517435 /nfs/dbraw/zinc/51/74/35/927517435.db2.gz JVVOHRHSPLCODP-VXGBXAGGSA-N 2 1 311.386 -1.136 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001426058793 927520699 /nfs/dbraw/zinc/52/06/99/927520699.db2.gz VXGUGHHPNKBTKG-LBPRGKRZSA-N 2 1 311.386 -1.263 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087605 927526770 /nfs/dbraw/zinc/52/67/70/927526770.db2.gz UZXMLGOBANQHTK-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001427835182 927687158 /nfs/dbraw/zinc/68/71/58/927687158.db2.gz YOGFRPGSMDMIBV-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001428920172 927826766 /nfs/dbraw/zinc/82/67/66/927826766.db2.gz QTGALDITOCKCKU-XQQFMLRXSA-N 2 1 312.414 -1.422 20 0 DAADMP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001428920149 927827660 /nfs/dbraw/zinc/82/76/60/927827660.db2.gz QTGALDITOCKCKU-UPJWGTAASA-N 2 1 312.414 -1.422 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001431536990 928055413 /nfs/dbraw/zinc/05/54/13/928055413.db2.gz DHLKVKVFVVUCFR-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431536990 928055429 /nfs/dbraw/zinc/05/54/29/928055429.db2.gz DHLKVKVFVVUCFR-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431536990 928055443 /nfs/dbraw/zinc/05/54/43/928055443.db2.gz DHLKVKVFVVUCFR-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001432201930 928113491 /nfs/dbraw/zinc/11/34/91/928113491.db2.gz SZELGIGCGQZYIA-ZDUSSCGKSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001432201930 928113500 /nfs/dbraw/zinc/11/35/00/928113500.db2.gz SZELGIGCGQZYIA-ZDUSSCGKSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457125 928400320 /nfs/dbraw/zinc/40/03/20/928400320.db2.gz IULDPIZDKBJUGL-OLZOCXBDSA-N 2 1 312.414 -1.291 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457125 928400328 /nfs/dbraw/zinc/40/03/28/928400328.db2.gz IULDPIZDKBJUGL-OLZOCXBDSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)C1 ZINC001436457125 928400333 /nfs/dbraw/zinc/40/03/33/928400333.db2.gz IULDPIZDKBJUGL-OLZOCXBDSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)C1 ZINC001436457125 928400342 /nfs/dbraw/zinc/40/03/42/928400342.db2.gz IULDPIZDKBJUGL-OLZOCXBDSA-N 2 1 312.414 -1.291 20 0 DAADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001437546542 928462066 /nfs/dbraw/zinc/46/20/66/928462066.db2.gz WPWHKTQEIBVBJM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001437546542 928462074 /nfs/dbraw/zinc/46/20/74/928462074.db2.gz WPWHKTQEIBVBJM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437546542 928462077 /nfs/dbraw/zinc/46/20/77/928462077.db2.gz WPWHKTQEIBVBJM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437546542 928462081 /nfs/dbraw/zinc/46/20/81/928462081.db2.gz WPWHKTQEIBVBJM-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437546538 928462355 /nfs/dbraw/zinc/46/23/55/928462355.db2.gz WPWHKTQEIBVBJM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437546538 928462358 /nfs/dbraw/zinc/46/23/58/928462358.db2.gz WPWHKTQEIBVBJM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437546538 928462362 /nfs/dbraw/zinc/46/23/62/928462362.db2.gz WPWHKTQEIBVBJM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437546538 928462363 /nfs/dbraw/zinc/46/23/63/928462363.db2.gz WPWHKTQEIBVBJM-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649478 928468045 /nfs/dbraw/zinc/46/80/45/928468045.db2.gz ZWJTUNHPHSXTLA-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649478 928468054 /nfs/dbraw/zinc/46/80/54/928468054.db2.gz ZWJTUNHPHSXTLA-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649478 928468063 /nfs/dbraw/zinc/46/80/63/928468063.db2.gz ZWJTUNHPHSXTLA-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649478 928468072 /nfs/dbraw/zinc/46/80/72/928468072.db2.gz ZWJTUNHPHSXTLA-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001437734159 928475324 /nfs/dbraw/zinc/47/53/24/928475324.db2.gz BRPSBGOVYBEFMA-LLVKDONJSA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437734159 928475333 /nfs/dbraw/zinc/47/53/33/928475333.db2.gz BRPSBGOVYBEFMA-LLVKDONJSA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437734159 928475340 /nfs/dbraw/zinc/47/53/40/928475340.db2.gz BRPSBGOVYBEFMA-LLVKDONJSA-N 2 1 313.402 -1.040 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001437832383 928480881 /nfs/dbraw/zinc/48/08/81/928480881.db2.gz PAAJJJKZXALHAB-JTQLQIEISA-N 2 1 310.358 -1.177 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)C ZINC001439007133 928572417 /nfs/dbraw/zinc/57/24/17/928572417.db2.gz IGTOJXJVWNYUDO-GFCCVEGCSA-N 2 1 311.386 -1.217 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001439014946 928577747 /nfs/dbraw/zinc/57/77/47/928577747.db2.gz NMMCHTHHKPWEIU-NWDGAFQWSA-N 2 1 311.386 -1.265 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001439031665 928584700 /nfs/dbraw/zinc/58/47/00/928584700.db2.gz LFJKBGCVUGGHHJ-LLVKDONJSA-N 2 1 302.375 -2.479 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001439031693 928585343 /nfs/dbraw/zinc/58/53/43/928585343.db2.gz LFJKBGCVUGGHHJ-NSHDSACASA-N 2 1 302.375 -2.479 20 0 DAADMP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001439040882 928588668 /nfs/dbraw/zinc/58/86/68/928588668.db2.gz FMFOXAIRIMIPIQ-AAEUAGOBSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001439040882 928588680 /nfs/dbraw/zinc/58/86/80/928588680.db2.gz FMFOXAIRIMIPIQ-AAEUAGOBSA-N 2 1 310.402 -1.184 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001439044296 928591744 /nfs/dbraw/zinc/59/17/44/928591744.db2.gz MFFRSGOQQQPDQG-RYUDHWBXSA-N 2 1 300.403 -1.374 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001439044300 928591896 /nfs/dbraw/zinc/59/18/96/928591896.db2.gz MFFRSGOQQQPDQG-VXGBXAGGSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC2CC2)C1 ZINC001439050579 928593992 /nfs/dbraw/zinc/59/39/92/928593992.db2.gz ZSSCNEXVMFMJCD-QWHCGFSZSA-N 2 1 312.414 -1.469 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001439061796 928596768 /nfs/dbraw/zinc/59/67/68/928596768.db2.gz SJKSQOHBHAFTIE-ZYHUDNBSSA-N 2 1 311.386 -1.265 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001440019712 928670349 /nfs/dbraw/zinc/67/03/49/928670349.db2.gz ZDRKKQGMCKWRSJ-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+]([C@H](C)C(N)=O)C1 ZINC001440019712 928670353 /nfs/dbraw/zinc/67/03/53/928670353.db2.gz ZDRKKQGMCKWRSJ-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001440019712 928670359 /nfs/dbraw/zinc/67/03/59/928670359.db2.gz ZDRKKQGMCKWRSJ-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001440019712 928670364 /nfs/dbraw/zinc/67/03/64/928670364.db2.gz ZDRKKQGMCKWRSJ-RISCZKNCSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001440027193 928672558 /nfs/dbraw/zinc/67/25/58/928672558.db2.gz ZDXHKUCWCFBSBF-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCNC2=O)C1 ZINC001440027193 928672564 /nfs/dbraw/zinc/67/25/64/928672564.db2.gz ZDXHKUCWCFBSBF-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440027193 928672569 /nfs/dbraw/zinc/67/25/69/928672569.db2.gz ZDXHKUCWCFBSBF-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440027193 928672577 /nfs/dbraw/zinc/67/25/77/928672577.db2.gz ZDXHKUCWCFBSBF-SWLSCSKDSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001440027191 928673077 /nfs/dbraw/zinc/67/30/77/928673077.db2.gz ZDXHKUCWCFBSBF-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001440027191 928673086 /nfs/dbraw/zinc/67/30/86/928673086.db2.gz ZDXHKUCWCFBSBF-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440027191 928673094 /nfs/dbraw/zinc/67/30/94/928673094.db2.gz ZDXHKUCWCFBSBF-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440027191 928673101 /nfs/dbraw/zinc/67/31/01/928673101.db2.gz ZDXHKUCWCFBSBF-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001440207429 928706263 /nfs/dbraw/zinc/70/62/63/928706263.db2.gz MYKJJVTUULJOSG-VXGBXAGGSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001440206997 928706451 /nfs/dbraw/zinc/70/64/51/928706451.db2.gz PTYCMVGJKSMIRH-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001440207000 928707464 /nfs/dbraw/zinc/70/74/64/928707464.db2.gz PTYCMVGJKSMIRH-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001440368945 928717173 /nfs/dbraw/zinc/71/71/73/928717173.db2.gz IOQLGZMUVYCPME-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001440592862 928732370 /nfs/dbraw/zinc/73/23/70/928732370.db2.gz AYKPLCVFEMONKD-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441704528 928826325 /nfs/dbraw/zinc/82/63/25/928826325.db2.gz CKNKXAAQANFWKL-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441719790 928837281 /nfs/dbraw/zinc/83/72/81/928837281.db2.gz LPCQRDZBTCKMTK-NEPJUHHUSA-N 2 1 309.370 -1.463 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001441763833 928856994 /nfs/dbraw/zinc/85/69/94/928856994.db2.gz ZVRDWHLLSSKIRG-OLZOCXBDSA-N 2 1 323.397 -1.073 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441781947 928862828 /nfs/dbraw/zinc/86/28/28/928862828.db2.gz QCHYZCDJAJJKRP-RYUDHWBXSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441781941 928864109 /nfs/dbraw/zinc/86/41/09/928864109.db2.gz QCHYZCDJAJJKRP-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001441795149 928867261 /nfs/dbraw/zinc/86/72/61/928867261.db2.gz OBOGEWYVDFBLDN-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441800077 928868561 /nfs/dbraw/zinc/86/85/61/928868561.db2.gz ROCGOEUJSGNOFQ-ZJUUUORDSA-N 2 1 315.374 -2.540 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001441840253 928874315 /nfs/dbraw/zinc/87/43/15/928874315.db2.gz ZRBIXYBCCOVPQM-SECBINFHSA-N 2 1 303.363 -2.412 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001441834645 928874666 /nfs/dbraw/zinc/87/46/66/928874666.db2.gz NBOCLVCIODQEKR-MNOVXSKESA-N 2 1 322.369 -1.035 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441959221 928889401 /nfs/dbraw/zinc/88/94/01/928889401.db2.gz MEOCHOYKNPAFNW-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441959221 928889409 /nfs/dbraw/zinc/88/94/09/928889409.db2.gz MEOCHOYKNPAFNW-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001441971479 928895154 /nfs/dbraw/zinc/89/51/54/928895154.db2.gz IMOXWZLNUZHQMD-GRYCIOLGSA-N 2 1 300.403 -1.389 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001441997439 928902844 /nfs/dbraw/zinc/90/28/44/928902844.db2.gz KBTIKILASBGMCX-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442026900 928910880 /nfs/dbraw/zinc/91/08/80/928910880.db2.gz DJXGRGJHMVGCMS-UWVGGRQHSA-N 2 1 315.374 -2.458 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442035296 928913349 /nfs/dbraw/zinc/91/33/49/928913349.db2.gz QYLCJQUINFNKPG-MNOVXSKESA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442035296 928913365 /nfs/dbraw/zinc/91/33/65/928913365.db2.gz QYLCJQUINFNKPG-MNOVXSKESA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001442035304 928914826 /nfs/dbraw/zinc/91/48/26/928914826.db2.gz QYLCJQUINFNKPG-QWRGUYRKSA-N 2 1 311.390 -1.929 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442035304 928914831 /nfs/dbraw/zinc/91/48/31/928914831.db2.gz QYLCJQUINFNKPG-QWRGUYRKSA-N 2 1 311.390 -1.929 20 0 DAADMP CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001442096395 928927348 /nfs/dbraw/zinc/92/73/48/928927348.db2.gz OLXQJNTUQOCHNO-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001442096395 928927357 /nfs/dbraw/zinc/92/73/57/928927357.db2.gz OLXQJNTUQOCHNO-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001442096395 928927361 /nfs/dbraw/zinc/92/73/61/928927361.db2.gz OLXQJNTUQOCHNO-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442096395 928927368 /nfs/dbraw/zinc/92/73/68/928927368.db2.gz OLXQJNTUQOCHNO-STQMWFEESA-N 2 1 314.430 -1.175 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134928 928930751 /nfs/dbraw/zinc/93/07/51/928930751.db2.gz IBEVSUUCLLMRQU-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001442134928 928930759 /nfs/dbraw/zinc/93/07/59/928930759.db2.gz IBEVSUUCLLMRQU-ZIAGYGMSSA-N 2 1 324.425 -1.013 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153980 928932259 /nfs/dbraw/zinc/93/22/59/928932259.db2.gz ONDCFSPLUKLSAO-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153980 928932270 /nfs/dbraw/zinc/93/22/70/928932270.db2.gz ONDCFSPLUKLSAO-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153969 928933294 /nfs/dbraw/zinc/93/32/94/928933294.db2.gz ONDCFSPLUKLSAO-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153969 928933304 /nfs/dbraw/zinc/93/33/04/928933304.db2.gz ONDCFSPLUKLSAO-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](O)COC)C1 ZINC001442602898 928955647 /nfs/dbraw/zinc/95/56/47/928955647.db2.gz ZGCCTFLBDAQLQK-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C[C@H](O)COC)C1 ZINC001442602898 928955657 /nfs/dbraw/zinc/95/56/57/928955657.db2.gz ZGCCTFLBDAQLQK-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C[C@H](O)COC)C1 ZINC001442602898 928955665 /nfs/dbraw/zinc/95/56/65/928955665.db2.gz ZGCCTFLBDAQLQK-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)COC)C1 ZINC001442602898 928955673 /nfs/dbraw/zinc/95/56/73/928955673.db2.gz ZGCCTFLBDAQLQK-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001443097108 928992047 /nfs/dbraw/zinc/99/20/47/928992047.db2.gz HBQNWVCOPVAFBS-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001443097106 928992168 /nfs/dbraw/zinc/99/21/68/928992168.db2.gz HBQNWVCOPVAFBS-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337948 929000939 /nfs/dbraw/zinc/00/09/39/929000939.db2.gz MVJCSMHMTVXXRA-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC001443337948 929000951 /nfs/dbraw/zinc/00/09/51/929000951.db2.gz MVJCSMHMTVXXRA-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC001443337948 929000961 /nfs/dbraw/zinc/00/09/61/929000961.db2.gz MVJCSMHMTVXXRA-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337948 929000971 /nfs/dbraw/zinc/00/09/71/929000971.db2.gz MVJCSMHMTVXXRA-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001443573791 929013446 /nfs/dbraw/zinc/01/34/46/929013446.db2.gz AZZJSQYZKYJRHZ-CHWSQXEVSA-N 2 1 301.387 -1.628 20 0 DAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001443573791 929013454 /nfs/dbraw/zinc/01/34/54/929013454.db2.gz AZZJSQYZKYJRHZ-CHWSQXEVSA-N 2 1 301.387 -1.628 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444183784 929078350 /nfs/dbraw/zinc/07/83/50/929078350.db2.gz FEHVINCJMYGWPO-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444183784 929078356 /nfs/dbraw/zinc/07/83/56/929078356.db2.gz FEHVINCJMYGWPO-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444183787 929079501 /nfs/dbraw/zinc/07/95/01/929079501.db2.gz FEHVINCJMYGWPO-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444183787 929079505 /nfs/dbraw/zinc/07/95/05/929079505.db2.gz FEHVINCJMYGWPO-STQMWFEESA-N 2 1 323.397 -1.263 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444310580 929109910 /nfs/dbraw/zinc/10/99/10/929109910.db2.gz OOEQISOJFWPDHE-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444310580 929109920 /nfs/dbraw/zinc/10/99/20/929109920.db2.gz OOEQISOJFWPDHE-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001444369093 929118415 /nfs/dbraw/zinc/11/84/15/929118415.db2.gz WRKMOUXOKUNULF-SNVBAGLBSA-N 2 1 324.385 -1.011 20 0 DAADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001444391541 929120006 /nfs/dbraw/zinc/12/00/06/929120006.db2.gz QYQVKIIJMKSKEV-GHMZBOCLSA-N 2 1 313.402 -1.135 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149676 929169060 /nfs/dbraw/zinc/16/90/60/929169060.db2.gz CTDGNNOOKIHNOV-UONOGXRCSA-N 2 1 308.382 -1.021 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001445149676 929169064 /nfs/dbraw/zinc/16/90/64/929169064.db2.gz CTDGNNOOKIHNOV-UONOGXRCSA-N 2 1 308.382 -1.021 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445149822 929169624 /nfs/dbraw/zinc/16/96/24/929169624.db2.gz DUKCUSFXBWQAKQ-NWDGAFQWSA-N 2 1 316.402 -2.092 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445149822 929169628 /nfs/dbraw/zinc/16/96/28/929169628.db2.gz DUKCUSFXBWQAKQ-NWDGAFQWSA-N 2 1 316.402 -2.092 20 0 DAADMP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001445158629 929172285 /nfs/dbraw/zinc/17/22/85/929172285.db2.gz OSYBEUYSAAYJNO-OLZOCXBDSA-N 2 1 312.414 -1.232 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001445226660 929194350 /nfs/dbraw/zinc/19/43/50/929194350.db2.gz BXLOYPZZMWVPDK-DGCLKSJQSA-N 2 1 323.397 -1.433 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445267522 929206827 /nfs/dbraw/zinc/20/68/27/929206827.db2.gz ANRRGWNRCZJQGY-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445267522 929206837 /nfs/dbraw/zinc/20/68/37/929206837.db2.gz ANRRGWNRCZJQGY-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268726 929207653 /nfs/dbraw/zinc/20/76/53/929207653.db2.gz KDZFIGKDWQRVND-VHSXEESVSA-N 2 1 312.374 -2.373 20 0 DAADMP Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268732 929208005 /nfs/dbraw/zinc/20/80/05/929208005.db2.gz KDZFIGKDWQRVND-ZJUUUORDSA-N 2 1 312.374 -2.373 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445276448 929208861 /nfs/dbraw/zinc/20/88/61/929208861.db2.gz MJADCNAVZCXCQA-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001446508840 929295737 /nfs/dbraw/zinc/29/57/37/929295737.db2.gz AJOOZMHFXFYEMF-CYBMUJFWSA-N 2 1 311.430 -1.358 20 0 DAADMP C[NH+](C)CCC(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446508840 929295748 /nfs/dbraw/zinc/29/57/48/929295748.db2.gz AJOOZMHFXFYEMF-CYBMUJFWSA-N 2 1 311.430 -1.358 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001447277454 929378964 /nfs/dbraw/zinc/37/89/64/929378964.db2.gz GTTZCYNLZHGICT-GFCCVEGCSA-N 2 1 309.370 -1.245 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCNS(C)(=O)=O ZINC001448145889 929432259 /nfs/dbraw/zinc/43/22/59/929432259.db2.gz ICMTVWRRMRGTGT-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145889 929432261 /nfs/dbraw/zinc/43/22/61/929432261.db2.gz ICMTVWRRMRGTGT-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145889 929432269 /nfs/dbraw/zinc/43/22/69/929432269.db2.gz ICMTVWRRMRGTGT-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCNS(C)(=O)=O ZINC001448145889 929432275 /nfs/dbraw/zinc/43/22/75/929432275.db2.gz ICMTVWRRMRGTGT-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448145889 929432278 /nfs/dbraw/zinc/43/22/78/929432278.db2.gz ICMTVWRRMRGTGT-RYUDHWBXSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001448727324 929468502 /nfs/dbraw/zinc/46/85/02/929468502.db2.gz OIYZAQYTDKFHBR-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448853489 929495211 /nfs/dbraw/zinc/49/52/11/929495211.db2.gz BWTQTZPKMVUHSY-VXGBXAGGSA-N 2 1 300.403 -1.341 20 0 DAADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448853489 929495217 /nfs/dbraw/zinc/49/52/17/929495217.db2.gz BWTQTZPKMVUHSY-VXGBXAGGSA-N 2 1 300.403 -1.341 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001448867229 929498906 /nfs/dbraw/zinc/49/89/06/929498906.db2.gz HRDYERAYVZXQIT-NEPJUHHUSA-N 2 1 309.370 -1.511 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001448867234 929500061 /nfs/dbraw/zinc/50/00/61/929500061.db2.gz HRDYERAYVZXQIT-NWDGAFQWSA-N 2 1 309.370 -1.511 20 0 DAADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001448944576 929523218 /nfs/dbraw/zinc/52/32/18/929523218.db2.gz IQGRZSWJJNDNND-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001448944576 929523224 /nfs/dbraw/zinc/52/32/24/929523224.db2.gz IQGRZSWJJNDNND-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001448953160 929525162 /nfs/dbraw/zinc/52/51/62/929525162.db2.gz VFSDOTAGKHEXCW-ZJUUUORDSA-N 2 1 317.390 -2.023 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001448951568 929526107 /nfs/dbraw/zinc/52/61/07/929526107.db2.gz JTFHFVXWJCGZML-CMPLNLGQSA-N 2 1 311.386 -1.265 20 0 DAADMP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001449149752 929553027 /nfs/dbraw/zinc/55/30/27/929553027.db2.gz POEDKYPSTWKWCO-STQMWFEESA-N 2 1 303.403 -1.502 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001449188477 929564180 /nfs/dbraw/zinc/56/41/80/929564180.db2.gz MLMXOVJNVDUOES-ZDUSSCGKSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001449239772 929572929 /nfs/dbraw/zinc/57/29/29/929572929.db2.gz ZKKSAXMJNINNMJ-GFCCVEGCSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001449239772 929572941 /nfs/dbraw/zinc/57/29/41/929572941.db2.gz ZKKSAXMJNINNMJ-GFCCVEGCSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001449239772 929572952 /nfs/dbraw/zinc/57/29/52/929572952.db2.gz ZKKSAXMJNINNMJ-GFCCVEGCSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001449239772 929572959 /nfs/dbraw/zinc/57/29/59/929572959.db2.gz ZKKSAXMJNINNMJ-GFCCVEGCSA-N 2 1 302.419 -1.176 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001522872283 929709125 /nfs/dbraw/zinc/70/91/25/929709125.db2.gz XFKIMFMEFRDCND-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001522872283 929709129 /nfs/dbraw/zinc/70/91/29/929709129.db2.gz XFKIMFMEFRDCND-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001522872283 929709136 /nfs/dbraw/zinc/70/91/36/929709136.db2.gz XFKIMFMEFRDCND-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001522872283 929709142 /nfs/dbraw/zinc/70/91/42/929709142.db2.gz XFKIMFMEFRDCND-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001522872280 929709307 /nfs/dbraw/zinc/70/93/07/929709307.db2.gz XFKIMFMEFRDCND-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001522872280 929709312 /nfs/dbraw/zinc/70/93/12/929709312.db2.gz XFKIMFMEFRDCND-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001522872280 929709318 /nfs/dbraw/zinc/70/93/18/929709318.db2.gz XFKIMFMEFRDCND-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001522872280 929709320 /nfs/dbraw/zinc/70/93/20/929709320.db2.gz XFKIMFMEFRDCND-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556879 930030987 /nfs/dbraw/zinc/03/09/87/930030987.db2.gz GCWLJCDRMREAIQ-WWGRRREGSA-N 2 1 322.409 -1.212 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552199466 930071416 /nfs/dbraw/zinc/07/14/16/930071416.db2.gz CDVAZKZKJNLETM-IAQYHMDHSA-N 2 1 310.398 -1.451 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553354133 930074092 /nfs/dbraw/zinc/07/40/92/930074092.db2.gz QPPJEARNQXLNAN-HOCLYGCPSA-N 3 1 309.458 -1.109 20 0 DAADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553354133 930074111 /nfs/dbraw/zinc/07/41/11/930074111.db2.gz QPPJEARNQXLNAN-HOCLYGCPSA-N 3 1 309.458 -1.109 20 0 DAADMP C[C@@H]1Cn2nc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2C[NH2+]1 ZINC001553351102 930075349 /nfs/dbraw/zinc/07/53/49/930075349.db2.gz JBECJUYWPPRBCZ-SNVBAGLBSA-N 2 1 306.370 -1.464 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553399034 930077430 /nfs/dbraw/zinc/07/74/30/930077430.db2.gz YGYBGPOVMLWZJW-XJKSGUPXSA-N 2 1 324.425 -1.155 20 0 DAADMP CN(CC(=O)N1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553399034 930077437 /nfs/dbraw/zinc/07/74/37/930077437.db2.gz YGYBGPOVMLWZJW-XJKSGUPXSA-N 2 1 324.425 -1.155 20 0 DAADMP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C ZINC000078745367 545649846 /nfs/dbraw/zinc/64/98/46/545649846.db2.gz YQBLACOJQZLFAB-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CC[NH3+])NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331921372 545728223 /nfs/dbraw/zinc/72/82/23/545728223.db2.gz CIMVLVSHOSSBQK-SNVBAGLBSA-N 2 1 319.431 -1.648 20 0 DAADMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000375920989 545754169 /nfs/dbraw/zinc/75/41/69/545754169.db2.gz HJPUYUOKISZMSB-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000659750139 545759945 /nfs/dbraw/zinc/75/99/45/545759945.db2.gz MUHXOSQMHZRLQT-NSHDSACASA-N 2 1 300.403 -1.374 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419358944 545766009 /nfs/dbraw/zinc/76/60/09/545766009.db2.gz QCGZUINDYYYGIS-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419454722 545767725 /nfs/dbraw/zinc/76/77/25/545767725.db2.gz UXCAVQKCSAZAKD-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877792 545768309 /nfs/dbraw/zinc/76/83/09/545768309.db2.gz IQJQMPYXIGIJIL-VXGBXAGGSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877792 545768316 /nfs/dbraw/zinc/76/83/16/545768316.db2.gz IQJQMPYXIGIJIL-VXGBXAGGSA-N 2 1 312.414 -1.232 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419668390 545769276 /nfs/dbraw/zinc/76/92/76/545769276.db2.gz ACIHXUXFPAUAJN-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(C(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000643591861 372770035 /nfs/dbraw/zinc/77/00/35/372770035.db2.gz YZUSQMDJJAUJLY-STQMWFEESA-N 2 1 310.398 -1.526 20 0 DAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000643577618 372770088 /nfs/dbraw/zinc/77/00/88/372770088.db2.gz LGBZSLRFWONBMN-LBPRGKRZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000643577618 372770095 /nfs/dbraw/zinc/77/00/95/372770095.db2.gz LGBZSLRFWONBMN-LBPRGKRZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643592614 372772247 /nfs/dbraw/zinc/77/22/47/372772247.db2.gz IXHXPFNHZOJNRW-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643592614 372772257 /nfs/dbraw/zinc/77/22/57/372772257.db2.gz IXHXPFNHZOJNRW-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000642773397 372799191 /nfs/dbraw/zinc/79/91/91/372799191.db2.gz WDTWLYQVFHRAMG-AAEUAGOBSA-N 2 1 311.430 -1.313 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000627355366 372842530 /nfs/dbraw/zinc/84/25/30/372842530.db2.gz FGXYHTDDGUHLCJ-NEPJUHHUSA-N 2 1 316.402 -1.697 20 0 DAADMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000627355366 372842533 /nfs/dbraw/zinc/84/25/33/372842533.db2.gz FGXYHTDDGUHLCJ-NEPJUHHUSA-N 2 1 316.402 -1.697 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H](C[NH3+])C1 ZINC000583434835 372867321 /nfs/dbraw/zinc/86/73/21/372867321.db2.gz FSPMACRUXZSQOI-CZUORRHYSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000569624910 372871421 /nfs/dbraw/zinc/87/14/21/372871421.db2.gz AEBNBQPLBGUXSC-VXGBXAGGSA-N 2 1 323.397 -2.033 20 0 DAADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000569723717 372903282 /nfs/dbraw/zinc/90/32/82/372903282.db2.gz LBKDUYQJXWTZPF-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000569723717 372903289 /nfs/dbraw/zinc/90/32/89/372903289.db2.gz LBKDUYQJXWTZPF-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000601343811 372940340 /nfs/dbraw/zinc/94/03/40/372940340.db2.gz ROGFHTJGXGOYIL-WDEREUQCSA-N 2 1 316.427 -1.346 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000592487160 372972655 /nfs/dbraw/zinc/97/26/55/372972655.db2.gz PJKVCVVMIDOHJU-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592471973 372972737 /nfs/dbraw/zinc/97/27/37/372972737.db2.gz APJMRBNNYJRQSZ-LBPRGKRZSA-N 2 1 315.418 -1.316 20 0 DAADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471973 372972744 /nfs/dbraw/zinc/97/27/44/372972744.db2.gz APJMRBNNYJRQSZ-LBPRGKRZSA-N 2 1 315.418 -1.316 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@H]1C ZINC000602501107 373062531 /nfs/dbraw/zinc/06/25/31/373062531.db2.gz DMQQYWOIOREJJQ-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@H]1C ZINC000602501107 373062540 /nfs/dbraw/zinc/06/25/40/373062540.db2.gz DMQQYWOIOREJJQ-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313863558 373110013 /nfs/dbraw/zinc/11/00/13/373110013.db2.gz JZIBVTPMYNVSEG-QWHCGFSZSA-N 2 1 323.459 -1.109 20 0 DAADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000571524200 373154603 /nfs/dbraw/zinc/15/46/03/373154603.db2.gz SKBCHYUABUJSIK-SNVBAGLBSA-N 2 1 323.397 -1.090 20 0 DAADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000571524200 373154613 /nfs/dbraw/zinc/15/46/13/373154613.db2.gz SKBCHYUABUJSIK-SNVBAGLBSA-N 2 1 323.397 -1.090 20 0 DAADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000339580079 373128344 /nfs/dbraw/zinc/12/83/44/373128344.db2.gz DQVRWOOCTCPBFQ-ZDUSSCGKSA-N 2 1 313.446 -1.194 20 0 DAADMP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000563619771 373139799 /nfs/dbraw/zinc/13/97/99/373139799.db2.gz HDRWHEHNSNUMNK-MNOVXSKESA-N 2 1 314.386 -1.420 20 0 DAADMP O=C([C@H]1CSC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475814 373222465 /nfs/dbraw/zinc/22/24/65/373222465.db2.gz DJWDHJZNYFOFGB-LLVKDONJSA-N 2 1 313.427 -1.182 20 0 DAADMP O[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628838 373187004 /nfs/dbraw/zinc/18/70/04/373187004.db2.gz GHISCPQVHGOBRV-GEEKYZPCSA-N 2 1 308.378 -1.239 20 0 DAADMP O[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789393 373189208 /nfs/dbraw/zinc/18/92/08/373189208.db2.gz OAKYOVSTIYZPRB-GEEKYZPCSA-N 2 1 308.378 -1.239 20 0 DAADMP CN1C(=O)N[C@]2(CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000328688990 373252652 /nfs/dbraw/zinc/25/26/52/373252652.db2.gz QGDVQYCJAJBGNG-HNNXBMFYSA-N 2 1 323.397 -1.019 20 0 DAADMP CN1C(=O)N[C@]2(CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000328688990 373252666 /nfs/dbraw/zinc/25/26/66/373252666.db2.gz QGDVQYCJAJBGNG-HNNXBMFYSA-N 2 1 323.397 -1.019 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](CO)NC(N)=O ZINC000617506288 373264177 /nfs/dbraw/zinc/26/41/77/373264177.db2.gz IWLCTWJHGDTREW-WDEREUQCSA-N 2 1 303.407 -1.596 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](CO)NC(N)=O ZINC000617506288 373264184 /nfs/dbraw/zinc/26/41/84/373264184.db2.gz IWLCTWJHGDTREW-WDEREUQCSA-N 2 1 303.407 -1.596 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419352003 373319946 /nfs/dbraw/zinc/31/99/46/373319946.db2.gz IGRLPCFVIDQCAN-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419219805 373320511 /nfs/dbraw/zinc/32/05/11/373320511.db2.gz HXBSYQUWJQSXSC-UHFFFAOYSA-N 2 1 323.441 -1.224 20 0 DAADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000419365441 373320996 /nfs/dbraw/zinc/32/09/96/373320996.db2.gz XKSBLMQYJGEOPS-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419548443 373321147 /nfs/dbraw/zinc/32/11/47/373321147.db2.gz SYKXFBPYMRRUMQ-MJBXVCDLSA-N 2 1 324.425 -1.109 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419756688 373323987 /nfs/dbraw/zinc/32/39/87/373323987.db2.gz BFYZWUHOLJEHNZ-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419695163 373324208 /nfs/dbraw/zinc/32/42/08/373324208.db2.gz MFZUTTHBIWRBDL-LBPRGKRZSA-N 2 1 312.414 -1.101 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000420204077 373324278 /nfs/dbraw/zinc/32/42/78/373324278.db2.gz RYEQSUBWKGCXSV-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000420204077 373324284 /nfs/dbraw/zinc/32/42/84/373324284.db2.gz RYEQSUBWKGCXSV-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873931 373324340 /nfs/dbraw/zinc/32/43/40/373324340.db2.gz SFKUEUXGSOFKFN-CYBMUJFWSA-N 2 1 311.430 -1.392 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419695161 373324586 /nfs/dbraw/zinc/32/45/86/373324586.db2.gz MFZUTTHBIWRBDL-GFCCVEGCSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000643513661 373374126 /nfs/dbraw/zinc/37/41/26/373374126.db2.gz XGTPOEGZOVYZFR-AWEZNQCLSA-N 2 1 323.441 -1.343 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423266366 373346061 /nfs/dbraw/zinc/34/60/61/373346061.db2.gz BUYSUQKOSHBWSC-JHJVBQTASA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423266366 373346070 /nfs/dbraw/zinc/34/60/70/373346070.db2.gz BUYSUQKOSHBWSC-JHJVBQTASA-N 2 1 312.414 -1.150 20 0 DAADMP C[NH2+]CCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424024448 373348590 /nfs/dbraw/zinc/34/85/90/373348590.db2.gz AGDPAGHSUGFZFZ-UHFFFAOYSA-N 2 1 304.416 -1.568 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423537817 373348838 /nfs/dbraw/zinc/34/88/38/373348838.db2.gz LDFSFEFMGYSOTK-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423537817 373348848 /nfs/dbraw/zinc/34/88/48/373348848.db2.gz LDFSFEFMGYSOTK-NSHDSACASA-N 2 1 300.403 -1.293 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544018 373359216 /nfs/dbraw/zinc/35/92/16/373359216.db2.gz VFSWUKZZWSGQQT-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544018 373359221 /nfs/dbraw/zinc/35/92/21/373359221.db2.gz VFSWUKZZWSGQQT-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000612544018 373359224 /nfs/dbraw/zinc/35/92/24/373359224.db2.gz VFSWUKZZWSGQQT-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH2+]CCOCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000626934450 373370910 /nfs/dbraw/zinc/37/09/10/373370910.db2.gz ZPMYGCRANJUHJZ-UHFFFAOYSA-N 2 1 315.418 -1.314 20 0 DAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000629817544 373412969 /nfs/dbraw/zinc/41/29/69/373412969.db2.gz PSDSLEBCAKIGFY-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343694 373501454 /nfs/dbraw/zinc/50/14/54/373501454.db2.gz KOKWMZXGTDGNGD-UHFFFAOYSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000566792364 373531676 /nfs/dbraw/zinc/53/16/76/373531676.db2.gz VAHKQQWXAIKDAQ-CQSZACIVSA-N 2 1 314.430 -1.567 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000579091452 373587262 /nfs/dbraw/zinc/58/72/62/373587262.db2.gz VQCOYLIIHAFZDI-RDBSUJKOSA-N 2 1 313.446 -1.014 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCCOCC1 ZINC000567911489 373540633 /nfs/dbraw/zinc/54/06/33/373540633.db2.gz XVECNAJPCDPZCP-ZDUSSCGKSA-N 2 1 300.403 -1.076 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000575812436 373567880 /nfs/dbraw/zinc/56/78/80/373567880.db2.gz LXMDBYCRSPTYIO-RYUDHWBXSA-N 2 1 309.432 -1.322 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002595 373568554 /nfs/dbraw/zinc/56/85/54/373568554.db2.gz ZQWNEJAPIVADLA-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002595 373568560 /nfs/dbraw/zinc/56/85/60/373568560.db2.gz ZQWNEJAPIVADLA-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627346552 373653801 /nfs/dbraw/zinc/65/38/01/373653801.db2.gz VWOXPHFABGMZRN-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627349669 373656104 /nfs/dbraw/zinc/65/61/04/373656104.db2.gz VVLVGOCLHQWPQO-MDZLAQPJSA-N 2 1 310.398 -1.310 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000581727256 373604965 /nfs/dbraw/zinc/60/49/65/373604965.db2.gz VPRJRBPTUYSGAD-YPMHNXCESA-N 2 1 322.413 -1.008 20 0 DAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000623927411 373661581 /nfs/dbraw/zinc/66/15/81/373661581.db2.gz GWRLYBCOVQXSHU-SECBINFHSA-N 2 1 308.390 -1.527 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624042293 373664513 /nfs/dbraw/zinc/66/45/13/373664513.db2.gz YHRTYPUZVSGDRY-VIFPVBQESA-N 2 1 306.374 -1.560 20 0 DAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627357848 373670878 /nfs/dbraw/zinc/67/08/78/373670878.db2.gz SFLKSILMRYXMJG-QWHCGFSZSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627365689 373671250 /nfs/dbraw/zinc/67/12/50/373671250.db2.gz WTMWLVDOORPLJW-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627357846 373671811 /nfs/dbraw/zinc/67/18/11/373671811.db2.gz SFLKSILMRYXMJG-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1 ZINC000627428600 373676077 /nfs/dbraw/zinc/67/60/77/373676077.db2.gz JLZSZCWVZPINGD-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627446533 373677936 /nfs/dbraw/zinc/67/79/36/373677936.db2.gz OUYCGNVUHKYTKH-YNEHKIRRSA-N 2 1 322.409 -1.335 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627464023 373679914 /nfs/dbraw/zinc/67/99/14/373679914.db2.gz PDKMLFPQNIZJHE-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470476 373681789 /nfs/dbraw/zinc/68/17/89/373681789.db2.gz STSVUYKEGFHSFI-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000627470061 373682437 /nfs/dbraw/zinc/68/24/37/373682437.db2.gz KYMLUUHALDPQLJ-FRRDWIJNSA-N 2 1 310.398 -1.356 20 0 DAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000627470062 373682838 /nfs/dbraw/zinc/68/28/38/373682838.db2.gz KYMLUUHALDPQLJ-JHJVBQTASA-N 2 1 310.398 -1.356 20 0 DAADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473376 373682927 /nfs/dbraw/zinc/68/29/27/373682927.db2.gz MHOKKXJJHSWCPJ-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000627501107 373687014 /nfs/dbraw/zinc/68/70/14/373687014.db2.gz XKLPOPVUUAEOMV-NWDGAFQWSA-N 2 1 312.414 -1.232 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627504607 373688359 /nfs/dbraw/zinc/68/83/59/373688359.db2.gz XYGZHRBHHKYNII-CHWSQXEVSA-N 2 1 310.398 -1.355 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000633098546 373728775 /nfs/dbraw/zinc/72/87/75/373728775.db2.gz NGHMBSUMZTYGRC-AGIUHOORSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000633098546 373728779 /nfs/dbraw/zinc/72/87/79/373728779.db2.gz NGHMBSUMZTYGRC-AGIUHOORSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000633121613 373730686 /nfs/dbraw/zinc/73/06/86/373730686.db2.gz ZLDXCDFQYVJDDU-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000633121613 373730691 /nfs/dbraw/zinc/73/06/91/373730691.db2.gz ZLDXCDFQYVJDDU-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000649473883 545804011 /nfs/dbraw/zinc/80/40/11/545804011.db2.gz SBLANKNWEMWLMS-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000649473883 545804016 /nfs/dbraw/zinc/80/40/16/545804016.db2.gz SBLANKNWEMWLMS-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000649473883 545804018 /nfs/dbraw/zinc/80/40/18/545804018.db2.gz SBLANKNWEMWLMS-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+](C)CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000649687702 545805701 /nfs/dbraw/zinc/80/57/01/545805701.db2.gz AZLKNYDOKQTOTH-UHFFFAOYSA-N 2 1 311.430 -1.534 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627393162 545828783 /nfs/dbraw/zinc/82/87/83/545828783.db2.gz QFJDSDMLCYTHSX-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398462 545830991 /nfs/dbraw/zinc/83/09/91/545830991.db2.gz NJMQYRYXVQRCTF-AGIUHOORSA-N 2 1 310.398 -1.166 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001193488963 782006227 /nfs/dbraw/zinc/00/62/27/782006227.db2.gz QRXHCUDEIJXWRX-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653121829 409328900 /nfs/dbraw/zinc/32/89/00/409328900.db2.gz DGFSFMJDFWXHCX-BBRMVZONSA-N 2 1 324.425 -1.155 20 0 DAADMP [NH3+]C1(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000647092214 409329688 /nfs/dbraw/zinc/32/96/88/409329688.db2.gz YWEIVMJAYVYUHS-UHFFFAOYSA-N 2 1 316.427 -1.296 20 0 DAADMP Cc1cc(NC(=O)CN2CC[NH+](CCOCC[NH3+])CC2)no1 ZINC000357073172 409371311 /nfs/dbraw/zinc/37/13/11/409371311.db2.gz DPOIDIJBSGMAPV-UHFFFAOYSA-N 2 1 311.386 -0.486 20 0 DAADMP CN(CCC[NH3+])Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000392856551 409339674 /nfs/dbraw/zinc/33/96/74/409339674.db2.gz ZOTKAGKSIBDOQZ-UHFFFAOYSA-N 2 1 309.418 -1.167 20 0 DAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)C)CC1=O ZINC000348837062 409401662 /nfs/dbraw/zinc/40/16/62/409401662.db2.gz GGDFGTMEVCDFAT-GFCCVEGCSA-N 2 1 300.403 -1.157 20 0 DAADMP CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H]1C[NH3+] ZINC000652736257 409406550 /nfs/dbraw/zinc/40/65/50/409406550.db2.gz BSKMSRSCBKDDOR-REWJHTLYSA-N 2 1 324.425 -1.029 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000652735644 409408555 /nfs/dbraw/zinc/40/85/55/409408555.db2.gz PKCIMWLKWDSTSJ-UHFFFAOYSA-N 2 1 311.430 -1.534 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343300225 409427930 /nfs/dbraw/zinc/42/79/30/409427930.db2.gz IAWDNBKBFYMPKR-CYBMUJFWSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343300225 409427932 /nfs/dbraw/zinc/42/79/32/409427932.db2.gz IAWDNBKBFYMPKR-CYBMUJFWSA-N 2 1 311.430 -1.441 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332591655 409462226 /nfs/dbraw/zinc/46/22/26/409462226.db2.gz GFPLJESYNFIUMI-FRRDWIJNSA-N 2 1 310.398 -1.132 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000332597782 409462521 /nfs/dbraw/zinc/46/25/21/409462521.db2.gz MMTQQPWEPGLVJS-CHWSQXEVSA-N 2 1 310.398 -1.131 20 0 DAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000332597782 409462528 /nfs/dbraw/zinc/46/25/28/409462528.db2.gz MMTQQPWEPGLVJS-CHWSQXEVSA-N 2 1 310.398 -1.131 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652889289 409472267 /nfs/dbraw/zinc/47/22/67/409472267.db2.gz NQINLJVPSQAVQG-TZMCWYRMSA-N 2 1 324.425 -1.326 20 0 DAADMP CN(CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@H]1O ZINC000352799736 409472348 /nfs/dbraw/zinc/47/23/48/409472348.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 2 1 316.398 -1.614 20 0 DAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652889288 409471051 /nfs/dbraw/zinc/47/10/51/409471051.db2.gz NQINLJVPSQAVQG-GXTWGEPZSA-N 2 1 324.425 -1.326 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000355151327 409483675 /nfs/dbraw/zinc/48/36/75/409483675.db2.gz SUXKXFXOIIZJLO-JSGCOSHPSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355151327 409483679 /nfs/dbraw/zinc/48/36/79/409483679.db2.gz SUXKXFXOIIZJLO-JSGCOSHPSA-N 2 1 323.441 -1.299 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355151327 409483684 /nfs/dbraw/zinc/48/36/84/409483684.db2.gz SUXKXFXOIIZJLO-JSGCOSHPSA-N 2 1 323.441 -1.299 20 0 DAADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)cc[nH+]1 ZINC000357901288 409492769 /nfs/dbraw/zinc/49/27/69/409492769.db2.gz CCTZRTFVZQSCFF-RYUDHWBXSA-N 2 1 320.397 -1.086 20 0 DAADMP COCC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430897748 409567312 /nfs/dbraw/zinc/56/73/12/409567312.db2.gz QPTQPXPQXDLKOH-LBPRGKRZSA-N 2 1 300.403 -1.074 20 0 DAADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724277 409499578 /nfs/dbraw/zinc/49/95/78/409499578.db2.gz QRMHSXYDCCBNTD-DZGCQCFKSA-N 2 1 313.446 -1.012 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659706607 409522865 /nfs/dbraw/zinc/52/28/65/409522865.db2.gz NRPKEQGQOQXBFB-MQYJIDSJSA-N 2 1 310.398 -1.227 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000659706303 409523631 /nfs/dbraw/zinc/52/36/31/409523631.db2.gz KUNQSDIXMZTWFV-UHFFFAOYSA-N 2 1 310.398 -1.225 20 0 DAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]CCOC ZINC000420188269 409539203 /nfs/dbraw/zinc/53/92/03/409539203.db2.gz SSAGWSINUAFONY-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423266365 409545331 /nfs/dbraw/zinc/54/53/31/409545331.db2.gz BUYSUQKOSHBWSC-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C ZINC000423266365 409545337 /nfs/dbraw/zinc/54/53/37/409545337.db2.gz BUYSUQKOSHBWSC-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000423464429 409545698 /nfs/dbraw/zinc/54/56/98/409545698.db2.gz LZDHMVPAZWCBSD-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000423464429 409545708 /nfs/dbraw/zinc/54/57/08/409545708.db2.gz LZDHMVPAZWCBSD-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP CN(CC1(C[N@@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000512183244 409625449 /nfs/dbraw/zinc/62/54/49/409625449.db2.gz GFAROQROOKXRMR-AAVRWANBSA-N 2 1 316.398 -1.614 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(CO)CO)C1 ZINC000516934994 409628781 /nfs/dbraw/zinc/62/87/81/409628781.db2.gz GNJLTXOHVFAODK-ZDUSSCGKSA-N 2 1 303.403 -1.598 20 0 DAADMP C[NH2+]C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430917438 409570731 /nfs/dbraw/zinc/57/07/31/409570731.db2.gz DGXAIAACBBSEGI-LLVKDONJSA-N 2 1 320.397 -1.025 20 0 DAADMP C[NH2+]C[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430917438 409570737 /nfs/dbraw/zinc/57/07/37/409570737.db2.gz DGXAIAACBBSEGI-LLVKDONJSA-N 2 1 320.397 -1.025 20 0 DAADMP CN(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000430940928 409570844 /nfs/dbraw/zinc/57/08/44/409570844.db2.gz SIHXUQCEQRWWJB-LLVKDONJSA-N 2 1 306.432 -1.335 20 0 DAADMP CN(CCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000430940928 409570847 /nfs/dbraw/zinc/57/08/47/409570847.db2.gz SIHXUQCEQRWWJB-LLVKDONJSA-N 2 1 306.432 -1.335 20 0 DAADMP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000447441434 409593054 /nfs/dbraw/zinc/59/30/54/409593054.db2.gz PZJNEZRCWNXVOV-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]CCOC)C1 ZINC000659725176 409693744 /nfs/dbraw/zinc/69/37/44/409693744.db2.gz YSHSQXHXRJGFTP-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659746113 409698529 /nfs/dbraw/zinc/69/85/29/409698529.db2.gz ZCWXMJUABYYIRS-UHFFFAOYSA-N 2 1 324.425 -1.230 20 0 DAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@H]21 ZINC000662313502 409708885 /nfs/dbraw/zinc/70/88/85/409708885.db2.gz LOKOCABEURMEIL-XQQFMLRXSA-N 2 1 303.428 -1.365 20 0 DAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@H]21 ZINC000662313502 409708891 /nfs/dbraw/zinc/70/88/91/409708891.db2.gz LOKOCABEURMEIL-XQQFMLRXSA-N 2 1 303.428 -1.365 20 0 DAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000649074395 409647592 /nfs/dbraw/zinc/64/75/92/409647592.db2.gz ICJRLMZKPNWCPN-CYBMUJFWSA-N 2 1 311.430 -1.188 20 0 DAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000649072685 409651019 /nfs/dbraw/zinc/65/10/19/409651019.db2.gz HFNTURGGXOZWLU-KBPBESRZSA-N 2 1 323.441 -1.045 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576292251 409658799 /nfs/dbraw/zinc/65/87/99/409658799.db2.gz ISBUXYXCNUBKEA-QWRGUYRKSA-N 2 1 312.370 -1.748 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576292249 409658855 /nfs/dbraw/zinc/65/88/55/409658855.db2.gz ISBUXYXCNUBKEA-GHMZBOCLSA-N 2 1 312.370 -1.748 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000568998308 409659737 /nfs/dbraw/zinc/65/97/37/409659737.db2.gz TYTKNJPQSYOEHY-KGLIPLIRSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000568998308 409659744 /nfs/dbraw/zinc/65/97/44/409659744.db2.gz TYTKNJPQSYOEHY-KGLIPLIRSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000568998308 409659754 /nfs/dbraw/zinc/65/97/54/409659754.db2.gz TYTKNJPQSYOEHY-KGLIPLIRSA-N 2 1 317.430 -1.038 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654439872 409662740 /nfs/dbraw/zinc/66/27/40/409662740.db2.gz YLNRNDIPWILDSP-MELADBBJSA-N 2 1 311.430 -1.307 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654439872 409662749 /nfs/dbraw/zinc/66/27/49/409662749.db2.gz YLNRNDIPWILDSP-MELADBBJSA-N 2 1 311.430 -1.307 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654439872 409662754 /nfs/dbraw/zinc/66/27/54/409662754.db2.gz YLNRNDIPWILDSP-MELADBBJSA-N 2 1 311.430 -1.307 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654439871 409664070 /nfs/dbraw/zinc/66/40/70/409664070.db2.gz YLNRNDIPWILDSP-BFHYXJOUSA-N 2 1 311.430 -1.307 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654439871 409664073 /nfs/dbraw/zinc/66/40/73/409664073.db2.gz YLNRNDIPWILDSP-BFHYXJOUSA-N 2 1 311.430 -1.307 20 0 DAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654439871 409664076 /nfs/dbraw/zinc/66/40/76/409664076.db2.gz YLNRNDIPWILDSP-BFHYXJOUSA-N 2 1 311.430 -1.307 20 0 DAADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000659681894 409688215 /nfs/dbraw/zinc/68/82/15/409688215.db2.gz DHRWARQBUFYXGD-QWHCGFSZSA-N 2 1 313.446 -1.162 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000659700924 409688699 /nfs/dbraw/zinc/68/86/99/409688699.db2.gz XBGABOBWUMABPD-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662705729 409713178 /nfs/dbraw/zinc/71/31/78/409713178.db2.gz SHCUBTQYVPXGCQ-VXGBXAGGSA-N 2 1 310.398 -1.179 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001193765800 782014951 /nfs/dbraw/zinc/01/49/51/782014951.db2.gz IKZLVWFHUXNMNY-CHWSQXEVSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001193765800 782014962 /nfs/dbraw/zinc/01/49/62/782014962.db2.gz IKZLVWFHUXNMNY-CHWSQXEVSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001193820977 782018076 /nfs/dbraw/zinc/01/80/76/782018076.db2.gz BBEUWNFDRCXTKX-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001193820977 782018057 /nfs/dbraw/zinc/01/80/57/782018057.db2.gz BBEUWNFDRCXTKX-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001193820977 782018061 /nfs/dbraw/zinc/01/80/61/782018061.db2.gz BBEUWNFDRCXTKX-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001193820977 782018067 /nfs/dbraw/zinc/01/80/67/782018067.db2.gz BBEUWNFDRCXTKX-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821942 782019638 /nfs/dbraw/zinc/01/96/38/782019638.db2.gz UCOGAIJTRUJWFX-MGPQQGTHSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821942 782019648 /nfs/dbraw/zinc/01/96/48/782019648.db2.gz UCOGAIJTRUJWFX-MGPQQGTHSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821942 782019654 /nfs/dbraw/zinc/01/96/54/782019654.db2.gz UCOGAIJTRUJWFX-MGPQQGTHSA-N 2 1 315.414 -1.361 20 0 DAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001193961252 782022493 /nfs/dbraw/zinc/02/24/93/782022493.db2.gz PLYSVXVXDQXSCM-MCIONIFRSA-N 2 1 317.430 -1.257 20 0 DAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[NH+](C)C ZINC001193961252 782022500 /nfs/dbraw/zinc/02/25/00/782022500.db2.gz PLYSVXVXDQXSCM-MCIONIFRSA-N 2 1 317.430 -1.257 20 0 DAADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc[nH+]1 ZINC000357901290 262579844 /nfs/dbraw/zinc/57/98/44/262579844.db2.gz CCTZRTFVZQSCFF-VXGBXAGGSA-N 2 1 320.397 -1.086 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC000408271993 263224873 /nfs/dbraw/zinc/22/48/73/263224873.db2.gz VOUPGTHFOKHSLL-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420018349 263228671 /nfs/dbraw/zinc/22/86/71/263228671.db2.gz XRBSBLDTJQHFRQ-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420018349 263228673 /nfs/dbraw/zinc/22/86/73/263228673.db2.gz XRBSBLDTJQHFRQ-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000263260529 263231285 /nfs/dbraw/zinc/23/12/85/263231285.db2.gz SIPMLFTVYXEXHV-SCRDCRAPSA-N 2 1 314.430 -1.001 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419448976 263231504 /nfs/dbraw/zinc/23/15/04/263231504.db2.gz JOOPQKMDWDESGL-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000419987648 263235318 /nfs/dbraw/zinc/23/53/18/263235318.db2.gz YOQOAUONHRUTDV-XQQFMLRXSA-N 2 1 314.430 -1.128 20 0 DAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000419987648 263235320 /nfs/dbraw/zinc/23/53/20/263235320.db2.gz YOQOAUONHRUTDV-XQQFMLRXSA-N 2 1 314.430 -1.128 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000514825109 263236056 /nfs/dbraw/zinc/23/60/56/263236056.db2.gz RTCHDDIZQLPFJA-ZDUSSCGKSA-N 2 1 310.398 -1.273 20 0 DAADMP CN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000331438492 263236735 /nfs/dbraw/zinc/23/67/35/263236735.db2.gz BCEHPKQCBVNUPJ-RNJOBUHISA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419417084 263243905 /nfs/dbraw/zinc/24/39/05/263243905.db2.gz WPGYYAVIWRZSKK-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423354173 263248444 /nfs/dbraw/zinc/24/84/44/263248444.db2.gz FOZVBZLVAOEHPN-OLZOCXBDSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423354173 263248447 /nfs/dbraw/zinc/24/84/47/263248447.db2.gz FOZVBZLVAOEHPN-OLZOCXBDSA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189849 263257626 /nfs/dbraw/zinc/25/76/26/263257626.db2.gz FCUOYBXNQLJTKJ-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189849 263257629 /nfs/dbraw/zinc/25/76/29/263257629.db2.gz FCUOYBXNQLJTKJ-QWHCGFSZSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)c1[nH+]cc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)n1C ZINC000351534559 263268567 /nfs/dbraw/zinc/26/85/67/263268567.db2.gz DBVPXJOKQIUAMH-NSHDSACASA-N 2 1 308.386 -1.030 20 0 DAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423266368 263272043 /nfs/dbraw/zinc/27/20/43/263272043.db2.gz BUYSUQKOSHBWSC-YNEHKIRRSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423266368 263272046 /nfs/dbraw/zinc/27/20/46/263272046.db2.gz BUYSUQKOSHBWSC-YNEHKIRRSA-N 2 1 312.414 -1.150 20 0 DAADMP Cn1c2ncn(CC[N@H+]3CC[C@H](C[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430922142 263272589 /nfs/dbraw/zinc/27/25/89/263272589.db2.gz XPOHQRSAFVEIFP-SNVBAGLBSA-N 2 1 306.370 -1.286 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000519532898 263276149 /nfs/dbraw/zinc/27/61/49/263276149.db2.gz JSCVRHQKASUVKR-ZDUSSCGKSA-N 2 1 310.398 -1.212 20 0 DAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000423618343 263282791 /nfs/dbraw/zinc/28/27/91/263282791.db2.gz YOMBOOQXDVMECT-XQQFMLRXSA-N 2 1 312.414 -1.280 20 0 DAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000423618343 263282793 /nfs/dbraw/zinc/28/27/93/263282793.db2.gz YOMBOOQXDVMECT-XQQFMLRXSA-N 2 1 312.414 -1.280 20 0 DAADMP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000447441436 263285064 /nfs/dbraw/zinc/28/50/64/263285064.db2.gz PZJNEZRCWNXVOV-LBPRGKRZSA-N 2 1 300.403 -1.027 20 0 DAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000514824367 263287309 /nfs/dbraw/zinc/28/73/09/263287309.db2.gz DYYOMTOAVIXOSS-AWEZNQCLSA-N 2 1 323.441 -1.144 20 0 DAADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436048470 263289440 /nfs/dbraw/zinc/28/94/40/263289440.db2.gz FFASQJZPYLILHX-LLVKDONJSA-N 2 1 306.432 -1.145 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436048470 263289441 /nfs/dbraw/zinc/28/94/41/263289441.db2.gz FFASQJZPYLILHX-LLVKDONJSA-N 2 1 306.432 -1.145 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352798054 263290269 /nfs/dbraw/zinc/29/02/69/263290269.db2.gz XCKIXSRNFPTLRU-MQYQWHSLSA-N 2 1 304.387 -1.614 20 0 DAADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000430653744 263292613 /nfs/dbraw/zinc/29/26/13/263292613.db2.gz ZMVRBZXUNIZJBV-CQSZACIVSA-N 2 1 324.425 -1.011 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423539531 263300848 /nfs/dbraw/zinc/30/08/48/263300848.db2.gz OVYZLDWYJBHGGY-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423539531 263300849 /nfs/dbraw/zinc/30/08/49/263300849.db2.gz OVYZLDWYJBHGGY-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262272831 263304272 /nfs/dbraw/zinc/30/42/72/263304272.db2.gz YNONVIXAAQTJHD-LLVKDONJSA-N 2 1 304.416 -1.568 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332010440 263311765 /nfs/dbraw/zinc/31/17/65/263311765.db2.gz JXWWHTALWRBQSO-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332010440 263311766 /nfs/dbraw/zinc/31/17/66/263311766.db2.gz JXWWHTALWRBQSO-CHWSQXEVSA-N 2 1 310.398 -1.212 20 0 DAADMP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430647992 263314270 /nfs/dbraw/zinc/31/42/70/263314270.db2.gz YPEIJNRKMDPNHS-GFCCVEGCSA-N 2 1 300.403 -1.074 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423229097 263316060 /nfs/dbraw/zinc/31/60/60/263316060.db2.gz AGQNYSBZDJQMMI-LBPRGKRZSA-N 2 1 312.414 -1.149 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN[C@@H](C)C2)C[C@H](C)N1CCO ZINC000423681643 263318062 /nfs/dbraw/zinc/31/80/62/263318062.db2.gz OGHMWYUIAOPJBM-RWMBFGLXSA-N 2 1 312.414 -1.280 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418914483 263318727 /nfs/dbraw/zinc/31/87/27/263318727.db2.gz FSUYFIDPNTXOPK-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358724283 263318839 /nfs/dbraw/zinc/31/88/39/263318839.db2.gz QRMHSXYDCCBNTD-ZFWWWQNUSA-N 2 1 313.446 -1.012 20 0 DAADMP C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358724283 263318843 /nfs/dbraw/zinc/31/88/43/263318843.db2.gz QRMHSXYDCCBNTD-ZFWWWQNUSA-N 2 1 313.446 -1.012 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352798053 263320733 /nfs/dbraw/zinc/32/07/33/263320733.db2.gz XCKIXSRNFPTLRU-LVEBTZEWSA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352798053 263320735 /nfs/dbraw/zinc/32/07/35/263320735.db2.gz XCKIXSRNFPTLRU-LVEBTZEWSA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352798053 263320738 /nfs/dbraw/zinc/32/07/38/263320738.db2.gz XCKIXSRNFPTLRU-LVEBTZEWSA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424550671 263325124 /nfs/dbraw/zinc/32/51/24/263325124.db2.gz TWODNOGWWIDBGU-UHFFFAOYSA-N 2 1 300.403 -1.109 20 0 DAADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331995240 263325214 /nfs/dbraw/zinc/32/52/14/263325214.db2.gz PYQMIVFIEAEQFY-UWVGGRQHSA-N 2 1 319.431 -1.649 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419530024 263326666 /nfs/dbraw/zinc/32/66/66/263326666.db2.gz YSWZIKJZRXHCBH-CYBMUJFWSA-N 2 1 313.446 -1.146 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001195859004 782085155 /nfs/dbraw/zinc/08/51/55/782085155.db2.gz AHOUUBVLSBHIOF-JHJVBQTASA-N 2 1 322.413 -1.122 20 0 DAADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860196 782085340 /nfs/dbraw/zinc/08/53/40/782085340.db2.gz TWLWJGVKUUODRJ-JHJVBQTASA-N 2 1 312.414 -1.280 20 0 DAADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860196 782085350 /nfs/dbraw/zinc/08/53/50/782085350.db2.gz TWLWJGVKUUODRJ-JHJVBQTASA-N 2 1 312.414 -1.280 20 0 DAADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000561223416 332426335 /nfs/dbraw/zinc/42/63/35/332426335.db2.gz PVUCCHBIRKBKQO-ZIAGYGMSSA-N 2 1 313.446 -1.012 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196167040 782095291 /nfs/dbraw/zinc/09/52/91/782095291.db2.gz AVMZRVOVJCMZNV-BFHYXJOUSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001196167040 782095303 /nfs/dbraw/zinc/09/53/03/782095303.db2.gz AVMZRVOVJCMZNV-BFHYXJOUSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001196167040 782095313 /nfs/dbraw/zinc/09/53/13/782095313.db2.gz AVMZRVOVJCMZNV-BFHYXJOUSA-N 2 1 315.414 -1.502 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001196167040 782095319 /nfs/dbraw/zinc/09/53/19/782095319.db2.gz AVMZRVOVJCMZNV-BFHYXJOUSA-N 2 1 315.414 -1.502 20 0 DAADMP COC[C@@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000571526188 333813859 /nfs/dbraw/zinc/81/38/59/333813859.db2.gz NGZKXOOGUIZNMZ-OAHLLOKOSA-N 2 1 312.414 -1.107 20 0 DAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000333819420 336210494 /nfs/dbraw/zinc/21/04/94/336210494.db2.gz KQTHMBVYVXQDJM-ZIAGYGMSSA-N 2 1 313.446 -1.012 20 0 DAADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196252209 782096825 /nfs/dbraw/zinc/09/68/25/782096825.db2.gz VETTWDVYAVXJRW-MGPQQGTHSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196252209 782096832 /nfs/dbraw/zinc/09/68/32/782096832.db2.gz VETTWDVYAVXJRW-MGPQQGTHSA-N 2 1 315.414 -1.359 20 0 DAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000582664005 337117766 /nfs/dbraw/zinc/11/77/66/337117766.db2.gz STYZZEMWWDBDMN-JTQLQIEISA-N 2 1 300.359 -1.843 20 0 DAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000582656407 337121590 /nfs/dbraw/zinc/12/15/90/337121590.db2.gz KIBQJRKTBHJANZ-UHFFFAOYSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572402401 337633559 /nfs/dbraw/zinc/63/35/59/337633559.db2.gz KFDUVPOLOMIZBQ-ZYHUDNBSSA-N 2 1 316.427 -1.570 20 0 DAADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424048381 337730741 /nfs/dbraw/zinc/73/07/41/337730741.db2.gz YSKBPYIXIHZBMX-LLVKDONJSA-N 2 1 318.443 -1.194 20 0 DAADMP CC[C@@H]1CN(C(=O)CN2CCNCC2=O)CC[N@H+]1CCOC ZINC000168072139 339053499 /nfs/dbraw/zinc/05/34/99/339053499.db2.gz NCHJOMIXFSASSU-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CNC(=O)C[NH3+] ZINC000564934429 341513452 /nfs/dbraw/zinc/51/34/52/341513452.db2.gz LEMVXFADGNFGRU-UHFFFAOYSA-N 2 1 300.403 -1.122 20 0 DAADMP CO[C@@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577395444 341907954 /nfs/dbraw/zinc/90/79/54/341907954.db2.gz PGZAIIWYNNJVIZ-JTQLQIEISA-N 2 1 306.388 -2.594 20 0 DAADMP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953366 782118390 /nfs/dbraw/zinc/11/83/90/782118390.db2.gz CYXDWGAUEGBIGB-YNEHKIRRSA-N 2 1 301.387 -1.749 20 0 DAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953366 782118393 /nfs/dbraw/zinc/11/83/93/782118393.db2.gz CYXDWGAUEGBIGB-YNEHKIRRSA-N 2 1 301.387 -1.749 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197057577 782122219 /nfs/dbraw/zinc/12/22/19/782122219.db2.gz FMACEDDQTBVOKC-CHWSQXEVSA-N 2 1 310.402 -1.219 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001197319718 782129288 /nfs/dbraw/zinc/12/92/88/782129288.db2.gz QFNZNNKOTRWOSU-ZIAGYGMSSA-N 2 1 315.414 -1.359 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197826234 782142668 /nfs/dbraw/zinc/14/26/68/782142668.db2.gz RSOYTSSZBMXAFS-BFHYXJOUSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826473 782142815 /nfs/dbraw/zinc/14/28/15/782142815.db2.gz YPGUJMBWXFRHAC-BFHYXJOUSA-N 2 1 317.430 -1.113 20 0 DAADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826374 782142892 /nfs/dbraw/zinc/14/28/92/782142892.db2.gz UKKVTTXYVDWQGE-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947992 782145179 /nfs/dbraw/zinc/14/51/79/782145179.db2.gz BQGYCJMPYHSOGN-BFHYXJOUSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001198029649 782147606 /nfs/dbraw/zinc/14/76/06/782147606.db2.gz TUQBTSBRGAGUJA-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198029649 782147611 /nfs/dbraw/zinc/14/76/11/782147611.db2.gz TUQBTSBRGAGUJA-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198029649 782147615 /nfs/dbraw/zinc/14/76/15/782147615.db2.gz TUQBTSBRGAGUJA-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198699683 782159227 /nfs/dbraw/zinc/15/92/27/782159227.db2.gz WSHCYDSBDFEQLO-BFHYXJOUSA-N 2 1 315.414 -1.502 20 0 DAADMP C[NH2+]CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332003474 522009698 /nfs/dbraw/zinc/00/96/98/522009698.db2.gz RSSJVOQQHRMKLE-UHFFFAOYSA-N 2 1 305.404 -2.165 20 0 DAADMP C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000520647651 545720731 /nfs/dbraw/zinc/72/07/31/545720731.db2.gz YQNQJFCICAUYSD-OLZOCXBDSA-N 2 1 313.446 -1.195 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351556833 545723451 /nfs/dbraw/zinc/72/34/51/545723451.db2.gz HPBPVHCQLVKUQF-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC000331438470 545724267 /nfs/dbraw/zinc/72/42/67/545724267.db2.gz BCEHPKQCBVNUPJ-CYDGBPFRSA-N 2 1 310.398 -1.480 20 0 DAADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000331577060 545727339 /nfs/dbraw/zinc/72/73/39/545727339.db2.gz WHRIIWKOMQPMNU-UONOGXRCSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@H](C[NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331945325 545729531 /nfs/dbraw/zinc/72/95/31/545729531.db2.gz HEWQRISSYJSECK-SNVBAGLBSA-N 2 1 319.431 -1.790 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000418925386 545764941 /nfs/dbraw/zinc/76/49/41/545764941.db2.gz QENUMELLJUFEHW-LBPRGKRZSA-N 2 1 300.403 -1.124 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419349662 545766347 /nfs/dbraw/zinc/76/63/47/545766347.db2.gz DPGLDGOLRGJGAP-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(C[C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046817 545774314 /nfs/dbraw/zinc/77/43/14/545774314.db2.gz WKNJHIKYLQKOKO-LLVKDONJSA-N 2 1 316.427 -1.426 20 0 DAADMP CC[NH+](CC)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046157 545775531 /nfs/dbraw/zinc/77/55/31/545775531.db2.gz VGGSQIBGKQYGJE-UHFFFAOYSA-N 2 1 318.443 -1.226 20 0 DAADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@@H]3[NH3+])cn2)CC1 ZINC000424160238 545777223 /nfs/dbraw/zinc/77/72/23/545777223.db2.gz TYPIDXZNVWWLDZ-NEPJUHHUSA-N 2 1 306.370 -1.057 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000656019597 545809872 /nfs/dbraw/zinc/80/98/72/545809872.db2.gz HCGJACPQIWQMBF-ZOBORPQBSA-N 2 1 324.425 -1.232 20 0 DAADMP CC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000656023390 545810889 /nfs/dbraw/zinc/81/08/89/545810889.db2.gz ALRKGHOIPPWPRV-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023132 545811424 /nfs/dbraw/zinc/81/14/24/545811424.db2.gz WGXGGGITNCEVIV-IGQOVBAYSA-N 2 1 324.425 -1.103 20 0 DAADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023042 545811683 /nfs/dbraw/zinc/81/16/83/545811683.db2.gz SHDDHTTYNHOLEQ-FRRDWIJNSA-N 2 1 312.414 -1.247 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656090047 545814560 /nfs/dbraw/zinc/81/45/60/545814560.db2.gz XCUZWZNUMPWGAE-RQJABVFESA-N 2 1 322.409 -1.574 20 0 DAADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656090047 545814566 /nfs/dbraw/zinc/81/45/66/545814566.db2.gz XCUZWZNUMPWGAE-RQJABVFESA-N 2 1 322.409 -1.574 20 0 DAADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656090047 545814571 /nfs/dbraw/zinc/81/45/71/545814571.db2.gz XCUZWZNUMPWGAE-RQJABVFESA-N 2 1 322.409 -1.574 20 0 DAADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105156 545815294 /nfs/dbraw/zinc/81/52/94/545815294.db2.gz YNYMBHJXCVIYRR-FQUUOJAGSA-N 2 1 324.425 -1.008 20 0 DAADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105161 545815479 /nfs/dbraw/zinc/81/54/79/545815479.db2.gz YNYMBHJXCVIYRR-XJFOESAGSA-N 2 1 324.425 -1.008 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656103985 545816760 /nfs/dbraw/zinc/81/67/60/545816760.db2.gz FCMVRXNPVBHMLW-WOSRLPQWSA-N 2 1 322.409 -1.524 20 0 DAADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656103642 545816913 /nfs/dbraw/zinc/81/69/13/545816913.db2.gz BFRXBOYXNHMJKT-RWMBFGLXSA-N 2 1 310.398 -1.526 20 0 DAADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104548 545817531 /nfs/dbraw/zinc/81/75/31/545817531.db2.gz QFTLRTRSNBOJLF-MELADBBJSA-N 2 1 324.425 -1.149 20 0 DAADMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104084 545817795 /nfs/dbraw/zinc/81/77/95/545817795.db2.gz GTOVSTIRXXZDQH-RFQIPJPRSA-N 2 1 322.409 -1.383 20 0 DAADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104003 545817936 /nfs/dbraw/zinc/81/79/36/545817936.db2.gz FMHKSBYTPLTJQD-QNWHQSFQSA-N 2 1 310.398 -1.527 20 0 DAADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000656328796 545820260 /nfs/dbraw/zinc/82/02/60/545820260.db2.gz IBCHQPRDNGWROU-QWHCGFSZSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316179 545821016 /nfs/dbraw/zinc/82/10/16/545821016.db2.gz PVHLLXRNUPPVNE-RFQIPJPRSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316179 545821018 /nfs/dbraw/zinc/82/10/18/545821018.db2.gz PVHLLXRNUPPVNE-RFQIPJPRSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316179 545821021 /nfs/dbraw/zinc/82/10/21/545821021.db2.gz PVHLLXRNUPPVNE-RFQIPJPRSA-N 2 1 324.425 -1.137 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627384810 545829181 /nfs/dbraw/zinc/82/91/81/545829181.db2.gz PFPBWPUODFGANK-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662908132 545840170 /nfs/dbraw/zinc/84/01/70/545840170.db2.gz ZEEOJLPRUBJLEP-KGLIPLIRSA-N 2 1 323.441 -1.249 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111736 782172203 /nfs/dbraw/zinc/17/22/03/782172203.db2.gz JUHNQGHTQUSWDN-JHJVBQTASA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111736 782172227 /nfs/dbraw/zinc/17/22/27/782172227.db2.gz JUHNQGHTQUSWDN-JHJVBQTASA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111736 782172230 /nfs/dbraw/zinc/17/22/30/782172230.db2.gz JUHNQGHTQUSWDN-JHJVBQTASA-N 2 1 303.403 -1.505 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911177846 663138744 /nfs/dbraw/zinc/13/87/44/663138744.db2.gz XTFDHNUECWMKCF-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP C[C@H]1C[NH+](C)C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112905 663622512 /nfs/dbraw/zinc/62/25/12/663622512.db2.gz UNTWWTWORCJSIN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000923354385 663696380 /nfs/dbraw/zinc/69/63/80/663696380.db2.gz TUZXIDKQWWLCDB-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000861750778 663917490 /nfs/dbraw/zinc/91/74/90/663917490.db2.gz BZLZAWOXWDNIPO-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020405679 662306430 /nfs/dbraw/zinc/30/64/30/662306430.db2.gz ACHZSXJSKYTNGU-PKMYUFOJSA-N 2 1 322.409 -1.040 20 0 DAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020405678 662306713 /nfs/dbraw/zinc/30/67/13/662306713.db2.gz ACHZSXJSKYTNGU-NWOIQLLASA-N 2 1 322.409 -1.040 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028544 662311815 /nfs/dbraw/zinc/31/18/15/662311815.db2.gz PWUXNSSJZNSHBE-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001039028544 662311818 /nfs/dbraw/zinc/31/18/18/662311818.db2.gz PWUXNSSJZNSHBE-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028544 662311820 /nfs/dbraw/zinc/31/18/20/662311820.db2.gz PWUXNSSJZNSHBE-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001039028544 662311824 /nfs/dbraw/zinc/31/18/24/662311824.db2.gz PWUXNSSJZNSHBE-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490062 662363225 /nfs/dbraw/zinc/36/32/25/662363225.db2.gz JWHGCWCXULVJPM-LLVKDONJSA-N 2 1 305.386 -1.004 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928766 662382940 /nfs/dbraw/zinc/38/29/40/662382940.db2.gz SUNYQFYBNHYYAA-WHOHXGKFSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928766 662382942 /nfs/dbraw/zinc/38/29/42/662382942.db2.gz SUNYQFYBNHYYAA-WHOHXGKFSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928764 662383171 /nfs/dbraw/zinc/38/31/71/662383171.db2.gz SUNYQFYBNHYYAA-KXNHARMFSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021928764 662383174 /nfs/dbraw/zinc/38/31/74/662383174.db2.gz SUNYQFYBNHYYAA-KXNHARMFSA-N 2 1 324.381 -1.641 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451676 662393008 /nfs/dbraw/zinc/39/30/08/662393008.db2.gz DVPPLPNTVWNNKI-DVOPFRQNSA-N 2 1 308.382 -1.428 20 0 DAADMP CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969414 662396970 /nfs/dbraw/zinc/39/69/70/662396970.db2.gz MHGYSTVHBXQRNI-LGESCRJUSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969414 662396974 /nfs/dbraw/zinc/39/69/74/662396974.db2.gz MHGYSTVHBXQRNI-LGESCRJUSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969414 662396976 /nfs/dbraw/zinc/39/69/76/662396976.db2.gz MHGYSTVHBXQRNI-LGESCRJUSA-N 2 1 322.409 -1.132 20 0 DAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969414 662396979 /nfs/dbraw/zinc/39/69/79/662396979.db2.gz MHGYSTVHBXQRNI-LGESCRJUSA-N 2 1 322.409 -1.132 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023086332 662428401 /nfs/dbraw/zinc/42/84/01/662428401.db2.gz IKFRPBYQIFAGBT-WISYIIOYSA-N 2 1 308.382 -1.020 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001023086843 662428702 /nfs/dbraw/zinc/42/87/02/662428702.db2.gz YXLOKVOQCATIQU-UTUOFQBUSA-N 2 1 323.397 -1.273 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1 ZINC001023787654 662460070 /nfs/dbraw/zinc/46/00/70/662460070.db2.gz NDXJZGCOQOTEIH-YNEHKIRRSA-N 2 1 321.381 -1.477 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)C1 ZINC001023788281 662460102 /nfs/dbraw/zinc/46/01/02/662460102.db2.gz VAGCODKMMGWTPL-CYZMBNFOSA-N 2 1 321.381 -1.408 20 0 DAADMP O=C(Cn1ccnc1)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001024416503 662472688 /nfs/dbraw/zinc/47/26/88/662472688.db2.gz BAXDSKQDPDOFCD-CHWSQXEVSA-N 2 1 321.381 -1.333 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001024411277 662473252 /nfs/dbraw/zinc/47/32/52/662473252.db2.gz IGRFAECOUZXAFA-FRRDWIJNSA-N 2 1 321.381 -1.335 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001025014326 662491121 /nfs/dbraw/zinc/49/11/21/662491121.db2.gz RAFMBLAXWYYQGI-AAVRWANBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001025014326 662491126 /nfs/dbraw/zinc/49/11/26/662491126.db2.gz RAFMBLAXWYYQGI-AAVRWANBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001025014326 662491132 /nfs/dbraw/zinc/49/11/32/662491132.db2.gz RAFMBLAXWYYQGI-AAVRWANBSA-N 2 1 324.425 -1.137 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719347 662527215 /nfs/dbraw/zinc/52/72/15/662527215.db2.gz JQZIUNJOALDXAX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719347 662527217 /nfs/dbraw/zinc/52/72/17/662527217.db2.gz JQZIUNJOALDXAX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719347 662527220 /nfs/dbraw/zinc/52/72/20/662527220.db2.gz JQZIUNJOALDXAX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719347 662527224 /nfs/dbraw/zinc/52/72/24/662527224.db2.gz JQZIUNJOALDXAX-ZUWCUPBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719317 662527677 /nfs/dbraw/zinc/52/76/77/662527677.db2.gz HDMNZUUKWRDAEI-OBPIAQAESA-N 2 1 308.382 -1.748 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719317 662527678 /nfs/dbraw/zinc/52/76/78/662527678.db2.gz HDMNZUUKWRDAEI-OBPIAQAESA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719317 662527679 /nfs/dbraw/zinc/52/76/79/662527679.db2.gz HDMNZUUKWRDAEI-OBPIAQAESA-N 2 1 308.382 -1.748 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719317 662527680 /nfs/dbraw/zinc/52/76/80/662527680.db2.gz HDMNZUUKWRDAEI-OBPIAQAESA-N 2 1 308.382 -1.748 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528682 /nfs/dbraw/zinc/52/86/82/662528682.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528685 /nfs/dbraw/zinc/52/86/85/662528685.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528689 /nfs/dbraw/zinc/52/86/89/662528689.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 2 1 300.447 -1.095 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528906 /nfs/dbraw/zinc/52/89/06/662528906.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528910 /nfs/dbraw/zinc/52/89/10/662528910.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528912 /nfs/dbraw/zinc/52/89/12/662528912.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 2 1 300.447 -1.095 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662528999 /nfs/dbraw/zinc/52/89/99/662528999.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529003 /nfs/dbraw/zinc/52/90/03/662529003.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 2 1 300.447 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529005 /nfs/dbraw/zinc/52/90/05/662529005.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 2 1 300.447 -1.095 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797899 662532325 /nfs/dbraw/zinc/53/23/25/662532325.db2.gz ZOAHDWQPYSGVOU-DKBOKBLXSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797899 662532329 /nfs/dbraw/zinc/53/23/29/662532329.db2.gz ZOAHDWQPYSGVOU-DKBOKBLXSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797899 662532332 /nfs/dbraw/zinc/53/23/32/662532332.db2.gz ZOAHDWQPYSGVOU-DKBOKBLXSA-N 2 1 322.409 -1.358 20 0 DAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797899 662532337 /nfs/dbraw/zinc/53/23/37/662532337.db2.gz ZOAHDWQPYSGVOU-DKBOKBLXSA-N 2 1 322.409 -1.358 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798648 662532443 /nfs/dbraw/zinc/53/24/43/662532443.db2.gz CBDSWKSRPJPBRT-YCGPCKTQSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798648 662532445 /nfs/dbraw/zinc/53/24/45/662532445.db2.gz CBDSWKSRPJPBRT-YCGPCKTQSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798648 662532449 /nfs/dbraw/zinc/53/24/49/662532449.db2.gz CBDSWKSRPJPBRT-YCGPCKTQSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798648 662532451 /nfs/dbraw/zinc/53/24/51/662532451.db2.gz CBDSWKSRPJPBRT-YCGPCKTQSA-N 2 1 308.382 -1.619 20 0 DAADMP CN(C)CC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000725882927 662542444 /nfs/dbraw/zinc/54/24/44/662542444.db2.gz XBAWBODDGOQKFN-UHFFFAOYSA-N 2 1 312.414 -1.059 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977948108 662607398 /nfs/dbraw/zinc/60/73/98/662607398.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 1 310.398 -1.643 20 0 DAADMP CNC(=O)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977948108 662607400 /nfs/dbraw/zinc/60/74/00/662607400.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 1 310.398 -1.643 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC)C[C@H]32)C1 ZINC000979076589 662619788 /nfs/dbraw/zinc/61/97/88/662619788.db2.gz YYGHZURGLUEDKR-FQUUOJAGSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC)C[C@H]32)C1 ZINC000979076589 662619792 /nfs/dbraw/zinc/61/97/92/662619792.db2.gz YYGHZURGLUEDKR-FQUUOJAGSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076589 662619795 /nfs/dbraw/zinc/61/97/95/662619795.db2.gz YYGHZURGLUEDKR-FQUUOJAGSA-N 2 1 324.425 -1.253 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076589 662619798 /nfs/dbraw/zinc/61/97/98/662619798.db2.gz YYGHZURGLUEDKR-FQUUOJAGSA-N 2 1 324.425 -1.253 20 0 DAADMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000931889300 662647497 /nfs/dbraw/zinc/64/74/97/662647497.db2.gz CPZUUFQZBACONK-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+](C)C ZINC000931889300 662647499 /nfs/dbraw/zinc/64/74/99/662647499.db2.gz CPZUUFQZBACONK-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000931889287 662647567 /nfs/dbraw/zinc/64/75/67/662647567.db2.gz CPZUUFQZBACONK-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+](C)C ZINC000931889287 662647569 /nfs/dbraw/zinc/64/75/69/662647569.db2.gz CPZUUFQZBACONK-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+](C)C ZINC000931889304 662647636 /nfs/dbraw/zinc/64/76/36/662647636.db2.gz CPZUUFQZBACONK-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+](C)C ZINC000931889304 662647639 /nfs/dbraw/zinc/64/76/39/662647639.db2.gz CPZUUFQZBACONK-RYUDHWBXSA-N 2 1 300.403 -1.110 20 0 DAADMP NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698491 662686104 /nfs/dbraw/zinc/68/61/04/662686104.db2.gz LAULFKLNNNKKHB-ZMDMRTEPSA-N 2 1 322.409 -1.227 20 0 DAADMP NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698491 662686107 /nfs/dbraw/zinc/68/61/07/662686107.db2.gz LAULFKLNNNKKHB-ZMDMRTEPSA-N 2 1 322.409 -1.227 20 0 DAADMP Cn1[nH]c(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984890 662694582 /nfs/dbraw/zinc/69/45/82/662694582.db2.gz FWZYVCCIIXJQFP-VXGBXAGGSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001028984890 662694588 /nfs/dbraw/zinc/69/45/88/662694588.db2.gz FWZYVCCIIXJQFP-VXGBXAGGSA-N 2 1 322.413 -1.002 20 0 DAADMP Cn1[nH]c(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001028984890 662694592 /nfs/dbraw/zinc/69/45/92/662694592.db2.gz FWZYVCCIIXJQFP-VXGBXAGGSA-N 2 1 322.413 -1.002 20 0 DAADMP CC[NH+]1CCN(C(=O)CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897834562 662746183 /nfs/dbraw/zinc/74/61/83/662746183.db2.gz JCTGAFUOSUOZIU-AWEZNQCLSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617104 662767113 /nfs/dbraw/zinc/76/71/13/662767113.db2.gz LHGUCSZTCLGVQR-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617104 662767116 /nfs/dbraw/zinc/76/71/16/662767116.db2.gz LHGUCSZTCLGVQR-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990617104 662767119 /nfs/dbraw/zinc/76/71/19/662767119.db2.gz LHGUCSZTCLGVQR-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990617104 662767123 /nfs/dbraw/zinc/76/71/23/662767123.db2.gz LHGUCSZTCLGVQR-OCCSQVGLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617103 662767154 /nfs/dbraw/zinc/76/71/54/662767154.db2.gz LHGUCSZTCLGVQR-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990617103 662767156 /nfs/dbraw/zinc/76/71/56/662767156.db2.gz LHGUCSZTCLGVQR-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990617103 662767159 /nfs/dbraw/zinc/76/71/59/662767159.db2.gz LHGUCSZTCLGVQR-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990617103 662767161 /nfs/dbraw/zinc/76/71/61/662767161.db2.gz LHGUCSZTCLGVQR-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000990620728 662768270 /nfs/dbraw/zinc/76/82/70/662768270.db2.gz CBHFIRBUEXGQOP-AWEZNQCLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000990620728 662768271 /nfs/dbraw/zinc/76/82/71/662768271.db2.gz CBHFIRBUEXGQOP-AWEZNQCLSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000990624439 662769065 /nfs/dbraw/zinc/76/90/65/662769065.db2.gz WTGGCEGGYAEPOY-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000990624439 662769067 /nfs/dbraw/zinc/76/90/67/662769067.db2.gz WTGGCEGGYAEPOY-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000990624439 662769069 /nfs/dbraw/zinc/76/90/69/662769069.db2.gz WTGGCEGGYAEPOY-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000990624439 662769071 /nfs/dbraw/zinc/76/90/71/662769071.db2.gz WTGGCEGGYAEPOY-MRVWCRGKSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000990624436 662769327 /nfs/dbraw/zinc/76/93/27/662769327.db2.gz WTGGCEGGYAEPOY-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000990624436 662769330 /nfs/dbraw/zinc/76/93/30/662769330.db2.gz WTGGCEGGYAEPOY-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000990624436 662769333 /nfs/dbraw/zinc/76/93/33/662769333.db2.gz WTGGCEGGYAEPOY-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000990624436 662769335 /nfs/dbraw/zinc/76/93/35/662769335.db2.gz WTGGCEGGYAEPOY-BNOWGMLFSA-N 2 1 324.425 -1.016 20 0 DAADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903574098 662789964 /nfs/dbraw/zinc/78/99/64/662789964.db2.gz OEAYCYHIAZRKDX-NWDGAFQWSA-N 2 1 307.416 -1.385 20 0 DAADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903574100 662790181 /nfs/dbraw/zinc/79/01/81/662790181.db2.gz OEAYCYHIAZRKDX-VXGBXAGGSA-N 2 1 307.416 -1.385 20 0 DAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC000903550306 662790164 /nfs/dbraw/zinc/79/01/64/662790164.db2.gz ZMGJWUNZNDNIFY-UHFFFAOYSA-N 2 1 318.443 -1.019 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904957658 662792148 /nfs/dbraw/zinc/79/21/48/662792148.db2.gz BPMUQYWDSBRTIJ-SWLSCSKDSA-N 2 1 312.414 -1.170 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904962109 662792186 /nfs/dbraw/zinc/79/21/86/662792186.db2.gz UUSIALCTGYCGGQ-WWGRRREGSA-N 2 1 324.425 -1.027 20 0 DAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000904959108 662792398 /nfs/dbraw/zinc/79/23/98/662792398.db2.gz KJEZIRRACOOGSC-LMOYCYGVSA-N 2 1 324.425 -1.029 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@]2(C)C1 ZINC000904968051 662792417 /nfs/dbraw/zinc/79/24/17/662792417.db2.gz FHCSDZQUGXBYAV-UHOFOFEASA-N 2 1 324.425 -1.291 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904962102 662792444 /nfs/dbraw/zinc/79/24/44/662792444.db2.gz UUSIALCTGYCGGQ-IOASZLSFSA-N 2 1 324.425 -1.027 20 0 DAADMP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905006883 662793044 /nfs/dbraw/zinc/79/30/44/662793044.db2.gz FTAMQKODAAKDKZ-JFILPPLUSA-N 2 1 322.409 -1.396 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H]1[NH3+] ZINC000904986939 662793591 /nfs/dbraw/zinc/79/35/91/662793591.db2.gz MBDVWKULVQUMPE-SYQHCUMBSA-N 2 1 324.425 -1.150 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000904985816 662793601 /nfs/dbraw/zinc/79/36/01/662793601.db2.gz DPVQTESXUNMPKA-MJBXVCDLSA-N 2 1 324.425 -1.006 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904985749 662793957 /nfs/dbraw/zinc/79/39/57/662793957.db2.gz CPMKYAXXTUEGEV-AVGNSLFASA-N 2 1 312.414 -1.150 20 0 DAADMP O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989699 662794114 /nfs/dbraw/zinc/79/41/14/662794114.db2.gz NJBCYYRYFIUQLN-QWHCGFSZSA-N 2 1 310.398 -1.524 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904988095 662794172 /nfs/dbraw/zinc/79/41/72/662794172.db2.gz SMMNBVKESZPRSH-BFHYXJOUSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905110828 662794408 /nfs/dbraw/zinc/79/44/08/662794408.db2.gz OWJRBSZMFKWJQE-HIFRSBDPSA-N 2 1 315.414 -1.358 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000905023727 662794702 /nfs/dbraw/zinc/79/47/02/662794702.db2.gz URBSSEIWHIYQET-ZDUSSCGKSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000905022389 662794822 /nfs/dbraw/zinc/79/48/22/662794822.db2.gz QSSRXIARNUYLDF-HZSPNIEDSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905109977 662794932 /nfs/dbraw/zinc/79/49/32/662794932.db2.gz LDOOSOLBQZSBOB-CYBMUJFWSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905110832 662795347 /nfs/dbraw/zinc/79/53/47/662795347.db2.gz OWJRBSZMFKWJQE-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000908029555 662799310 /nfs/dbraw/zinc/79/93/10/662799310.db2.gz UCTOPVSESLDAJC-HNNXBMFYSA-N 2 1 309.458 -1.014 20 0 DAADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000910738898 663132265 /nfs/dbraw/zinc/13/22/65/663132265.db2.gz ZWRVNAMUUCALHE-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000910738898 663132268 /nfs/dbraw/zinc/13/22/68/663132268.db2.gz ZWRVNAMUUCALHE-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738898 663132271 /nfs/dbraw/zinc/13/22/71/663132271.db2.gz ZWRVNAMUUCALHE-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738898 663132274 /nfs/dbraw/zinc/13/22/74/663132274.db2.gz ZWRVNAMUUCALHE-FRRDWIJNSA-N 2 1 310.398 -1.526 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911031303 663135590 /nfs/dbraw/zinc/13/55/90/663135590.db2.gz PIEROBRLPIUEEG-RYUDHWBXSA-N 2 1 311.430 -1.537 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911032377 663135802 /nfs/dbraw/zinc/13/58/02/663135802.db2.gz UDLBDCVKTUXHEX-NEPJUHHUSA-N 2 1 311.430 -1.456 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC000911052603 663135976 /nfs/dbraw/zinc/13/59/76/663135976.db2.gz DJAYYMXYIMZTLH-UHFFFAOYSA-N 2 1 311.430 -1.264 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911032386 663136101 /nfs/dbraw/zinc/13/61/01/663136101.db2.gz UDLBDCVKTUXHEX-VXGBXAGGSA-N 2 1 311.430 -1.456 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911147811 663137247 /nfs/dbraw/zinc/13/72/47/663137247.db2.gz JQZFDONIBOBSID-MEBFFEOJSA-N 2 1 322.409 -1.025 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000911147375 663137328 /nfs/dbraw/zinc/13/73/28/663137328.db2.gz QKIVOJNSNVCHMH-OLZOCXBDSA-N 2 1 323.441 -1.251 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000911148935 663137382 /nfs/dbraw/zinc/13/73/82/663137382.db2.gz SYSUEHMUCAEKTH-XQQFMLRXSA-N 2 1 310.398 -1.085 20 0 DAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911146267 663137725 /nfs/dbraw/zinc/13/77/25/663137725.db2.gz KPPGGZYHXNBDLH-GXTWGEPZSA-N 2 1 323.441 -1.393 20 0 DAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911188252 663138395 /nfs/dbraw/zinc/13/83/95/663138395.db2.gz SIOWGSPJSQHCCZ-CYBMUJFWSA-N 2 1 313.446 -1.146 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000911163517 663138512 /nfs/dbraw/zinc/13/85/12/663138512.db2.gz WHSVFRSIGGASPC-KIJLLGNVSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000911163517 663138516 /nfs/dbraw/zinc/13/85/16/663138516.db2.gz WHSVFRSIGGASPC-KIJLLGNVSA-N 2 1 310.398 -1.169 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911188253 663138894 /nfs/dbraw/zinc/13/88/94/663138894.db2.gz SIOWGSPJSQHCCZ-ZDUSSCGKSA-N 2 1 313.446 -1.146 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911239629 663139315 /nfs/dbraw/zinc/13/93/15/663139315.db2.gz CZLFWYPXACGWSY-FVCCEPFGSA-N 2 1 310.398 -1.168 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236412 663139639 /nfs/dbraw/zinc/13/96/39/663139639.db2.gz QQYODCZZPCWJIR-AGIUHOORSA-N 2 1 312.414 -1.205 20 0 DAADMP C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911271278 663140458 /nfs/dbraw/zinc/14/04/58/663140458.db2.gz ZUDFVXYTVHYMSP-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911265225 663140808 /nfs/dbraw/zinc/14/08/08/663140808.db2.gz BHWNAINIRKLAHA-RDBSUJKOSA-N 2 1 324.425 -1.088 20 0 DAADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911298617 663140902 /nfs/dbraw/zinc/14/09/02/663140902.db2.gz SCFDBQCBUMLUJN-MJBXVCDLSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911265222 663140911 /nfs/dbraw/zinc/14/09/11/663140911.db2.gz BHWNAINIRKLAHA-HZSPNIEDSA-N 2 1 324.425 -1.088 20 0 DAADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911298613 663140985 /nfs/dbraw/zinc/14/09/85/663140985.db2.gz SCFDBQCBUMLUJN-IHRRRGAJSA-N 2 1 324.425 -1.103 20 0 DAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911292128 663141048 /nfs/dbraw/zinc/14/10/48/663141048.db2.gz PAZTZDQYPJBBQO-FRRDWIJNSA-N 2 1 312.414 -1.245 20 0 DAADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911286967 663141447 /nfs/dbraw/zinc/14/14/47/663141447.db2.gz BHWNAINIRKLAHA-IHRRRGAJSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282229 663141863 /nfs/dbraw/zinc/14/18/63/663141863.db2.gz OWBLWTUETGZHLH-MELADBBJSA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911339351 663143164 /nfs/dbraw/zinc/14/31/64/663143164.db2.gz VPCDOHWVSJPDMB-RWMBFGLXSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911384256 663143243 /nfs/dbraw/zinc/14/32/43/663143243.db2.gz ZQDLJCRSUZLQTG-MROQNXINSA-N 2 1 310.398 -1.765 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000911373935 663143541 /nfs/dbraw/zinc/14/35/41/663143541.db2.gz LMLHNCCRVBKGMU-GHMZBOCLSA-N 2 1 300.428 -1.125 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911366813 663143561 /nfs/dbraw/zinc/14/35/61/663143561.db2.gz JRAJYDQGGDVVOP-AAVRWANBSA-N 2 1 324.425 -1.232 20 0 DAADMP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911529664 663147816 /nfs/dbraw/zinc/14/78/16/663147816.db2.gz WGRBZDXKVVPNDM-QJPTWQEYSA-N 2 1 310.398 -1.622 20 0 DAADMP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911562734 663148104 /nfs/dbraw/zinc/14/81/04/663148104.db2.gz LLRSLKZICZDWNI-MELADBBJSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911562733 663148198 /nfs/dbraw/zinc/14/81/98/663148198.db2.gz LLRSLKZICZDWNI-HZSPNIEDSA-N 2 1 324.425 -1.088 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560303 663149226 /nfs/dbraw/zinc/14/92/26/663149226.db2.gz NHVWZSMXCWUIMP-HAQNSBGRSA-N 2 1 312.414 -1.245 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1=O ZINC000911871728 663151120 /nfs/dbraw/zinc/15/11/20/663151120.db2.gz GSRDQGAJPKCMBO-DOMZBBRYSA-N 2 1 312.414 -1.326 20 0 DAADMP C[NH+](C)CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1=O ZINC000911871728 663151121 /nfs/dbraw/zinc/15/11/21/663151121.db2.gz GSRDQGAJPKCMBO-DOMZBBRYSA-N 2 1 312.414 -1.326 20 0 DAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912606840 663153836 /nfs/dbraw/zinc/15/38/36/663153836.db2.gz YOQPTRJJFXZIKE-ZDUSSCGKSA-N 2 1 314.430 -1.221 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC000913184339 663156328 /nfs/dbraw/zinc/15/63/28/663156328.db2.gz OWXILCXCXDAFGC-CQSZACIVSA-N 2 1 311.386 -1.475 20 0 DAADMP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196915 663156534 /nfs/dbraw/zinc/15/65/34/663156534.db2.gz VFRQIRYEWFHLQR-UONOGXRCSA-N 2 1 301.387 -1.700 20 0 DAADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196915 663156536 /nfs/dbraw/zinc/15/65/36/663156536.db2.gz VFRQIRYEWFHLQR-UONOGXRCSA-N 2 1 301.387 -1.700 20 0 DAADMP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196913 663156712 /nfs/dbraw/zinc/15/67/12/663156712.db2.gz VFRQIRYEWFHLQR-KBPBESRZSA-N 2 1 301.387 -1.700 20 0 DAADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913196913 663156716 /nfs/dbraw/zinc/15/67/16/663156716.db2.gz VFRQIRYEWFHLQR-KBPBESRZSA-N 2 1 301.387 -1.700 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991722556 663186552 /nfs/dbraw/zinc/18/65/52/663186552.db2.gz PIRCJRJQUKBUSU-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991722556 663186553 /nfs/dbraw/zinc/18/65/53/663186553.db2.gz PIRCJRJQUKBUSU-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991722556 663186555 /nfs/dbraw/zinc/18/65/55/663186555.db2.gz PIRCJRJQUKBUSU-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722556 663186556 /nfs/dbraw/zinc/18/65/56/663186556.db2.gz PIRCJRJQUKBUSU-TZMCWYRMSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000991729115 663188508 /nfs/dbraw/zinc/18/85/08/663188508.db2.gz OCVQUFJYFCPLRJ-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000991729115 663188509 /nfs/dbraw/zinc/18/85/09/663188509.db2.gz OCVQUFJYFCPLRJ-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000991729115 663188510 /nfs/dbraw/zinc/18/85/10/663188510.db2.gz OCVQUFJYFCPLRJ-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000991729115 663188512 /nfs/dbraw/zinc/18/85/12/663188512.db2.gz OCVQUFJYFCPLRJ-YRGRVCCFSA-N 2 1 324.425 -1.016 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031584984 663300799 /nfs/dbraw/zinc/30/07/99/663300799.db2.gz NPSFXOWUPPAWIR-GFCCVEGCSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031584984 663300802 /nfs/dbraw/zinc/30/08/02/663300802.db2.gz NPSFXOWUPPAWIR-GFCCVEGCSA-N 2 1 323.397 -1.320 20 0 DAADMP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999765523 663563253 /nfs/dbraw/zinc/56/32/53/663563253.db2.gz PAFCVKBOPNRTMO-BTJONVMOSA-N 2 1 322.409 -1.085 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312103 663600722 /nfs/dbraw/zinc/60/07/22/663600722.db2.gz RJUBDFJMMDYEJQ-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001312103 663600723 /nfs/dbraw/zinc/60/07/23/663600723.db2.gz RJUBDFJMMDYEJQ-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001312103 663600724 /nfs/dbraw/zinc/60/07/24/663600724.db2.gz RJUBDFJMMDYEJQ-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001312103 663600725 /nfs/dbraw/zinc/60/07/25/663600725.db2.gz RJUBDFJMMDYEJQ-ZIAGYGMSSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977294 663611805 /nfs/dbraw/zinc/61/18/05/663611805.db2.gz MGVICGBEVGHNTO-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977294 663611806 /nfs/dbraw/zinc/61/18/06/663611806.db2.gz MGVICGBEVGHNTO-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001977294 663611808 /nfs/dbraw/zinc/61/18/08/663611808.db2.gz MGVICGBEVGHNTO-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001977294 663611811 /nfs/dbraw/zinc/61/18/11/663611811.db2.gz MGVICGBEVGHNTO-KBPBESRZSA-N 2 1 324.425 -1.157 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCOCCO)[N@@H+](C)C1 ZINC000922116582 663622231 /nfs/dbraw/zinc/62/22/31/663622231.db2.gz NEFPIKRKQWBMIX-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)[NH+](C)C1 ZINC000922116582 663622234 /nfs/dbraw/zinc/62/22/34/663622234.db2.gz NEFPIKRKQWBMIX-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)[NH+](C)C1 ZINC000922116582 663622239 /nfs/dbraw/zinc/62/22/39/663622239.db2.gz NEFPIKRKQWBMIX-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[NH+](C)C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)O1 ZINC000922112905 663622510 /nfs/dbraw/zinc/62/25/10/663622510.db2.gz UNTWWTWORCJSIN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112905 663622507 /nfs/dbraw/zinc/62/25/07/663622507.db2.gz UNTWWTWORCJSIN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCC[NH+](C)CCOCCO)O1 ZINC000922112905 663622509 /nfs/dbraw/zinc/62/25/09/663622509.db2.gz UNTWWTWORCJSIN-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@H](C(=O)NCC[N@H+](C)CCOCCO)N1CC[NH+](C)CC1 ZINC000922125142 663622908 /nfs/dbraw/zinc/62/29/08/663622908.db2.gz NTZVTFJABQTYTI-CQSZACIVSA-N 2 1 316.446 -1.321 20 0 DAADMP C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)N1CC[NH+](C)CC1 ZINC000922125142 663622910 /nfs/dbraw/zinc/62/29/10/663622910.db2.gz NTZVTFJABQTYTI-CQSZACIVSA-N 2 1 316.446 -1.321 20 0 DAADMP O=S(=O)(C1CN(CCN2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000923433557 663697104 /nfs/dbraw/zinc/69/71/04/663697104.db2.gz HHGIXNAWMLCEOT-UHFFFAOYSA-N 2 1 317.459 -2.189 20 0 DAADMP O=S(=O)(C1CN(C[C@@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000923436145 663697170 /nfs/dbraw/zinc/69/71/70/663697170.db2.gz DYBPWZGIDXEBDI-NSHDSACASA-N 2 1 304.416 -2.106 20 0 DAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923591089 663699083 /nfs/dbraw/zinc/69/90/83/663699083.db2.gz NENRQXQRYTWIDI-GFCCVEGCSA-N 2 1 318.443 -1.178 20 0 DAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923591090 663699103 /nfs/dbraw/zinc/69/91/03/663699103.db2.gz NENRQXQRYTWIDI-LBPRGKRZSA-N 2 1 318.443 -1.178 20 0 DAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923591225 663699157 /nfs/dbraw/zinc/69/91/57/663699157.db2.gz RTANGWDOZOQCOM-UHFFFAOYSA-N 2 1 319.431 -2.110 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056440 663844701 /nfs/dbraw/zinc/84/47/01/663844701.db2.gz KRQYSVBEBPTTFG-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056439 663844785 /nfs/dbraw/zinc/84/47/85/663844785.db2.gz KRQYSVBEBPTTFG-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164733 663876710 /nfs/dbraw/zinc/87/67/10/663876710.db2.gz NZJATXPEHKTLQH-AVGNSLFASA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164739 663876738 /nfs/dbraw/zinc/87/67/38/663876738.db2.gz NZJATXPEHKTLQH-RWMBFGLXSA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848637605 663892497 /nfs/dbraw/zinc/89/24/97/663892497.db2.gz RNGSABVDBVKCCB-ZENOOKHLSA-N 2 1 322.409 -1.382 20 0 DAADMP NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000849012978 663893236 /nfs/dbraw/zinc/89/32/36/663893236.db2.gz CKRPFHQWIACDMT-VXGBXAGGSA-N 2 1 313.402 -1.144 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685047 663896340 /nfs/dbraw/zinc/89/63/40/663896340.db2.gz OVWOCTRWWYSHMP-BWAOXVRWSA-N 2 1 322.409 -1.166 20 0 DAADMP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)=NO1 ZINC000852876602 663899343 /nfs/dbraw/zinc/89/93/43/663899343.db2.gz MOIRGDHIWFPMCN-WDEREUQCSA-N 2 1 309.370 -1.487 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861756032 663918491 /nfs/dbraw/zinc/91/84/91/663918491.db2.gz SLSAPURVKXFPGA-WUHRBBMRSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000861803219 663918588 /nfs/dbraw/zinc/91/85/88/663918588.db2.gz VPJQRQXYQZCGNS-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000863774203 663927097 /nfs/dbraw/zinc/92/70/97/663927097.db2.gz ROASAZQTKTZLSN-SDDRHHMPSA-N 2 1 300.403 -1.295 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000863774203 663927098 /nfs/dbraw/zinc/92/70/98/663927098.db2.gz ROASAZQTKTZLSN-SDDRHHMPSA-N 2 1 300.403 -1.295 20 0 DAADMP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709240 663931760 /nfs/dbraw/zinc/93/17/60/663931760.db2.gz JKEUQCUHLJEMOD-MXWKQRLJSA-N 2 1 318.399 -1.598 20 0 DAADMP CS(=O)(=O)NCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709240 663931762 /nfs/dbraw/zinc/93/17/62/663931762.db2.gz JKEUQCUHLJEMOD-MXWKQRLJSA-N 2 1 318.399 -1.598 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868397626 663934301 /nfs/dbraw/zinc/93/43/01/663934301.db2.gz YSECYTVZQDIIFB-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868397625 663934389 /nfs/dbraw/zinc/93/43/89/663934389.db2.gz YSECYTVZQDIIFB-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000923622202 663937596 /nfs/dbraw/zinc/93/75/96/663937596.db2.gz VAHYWANZNLUUNJ-STQMWFEESA-N 2 1 320.459 -1.087 20 0 DAADMP CC[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000923622202 663937597 /nfs/dbraw/zinc/93/75/97/663937597.db2.gz VAHYWANZNLUUNJ-STQMWFEESA-N 2 1 320.459 -1.087 20 0 DAADMP O=S(=O)(N1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000923643490 663944709 /nfs/dbraw/zinc/94/47/09/663944709.db2.gz KYRVOWLUMVOTJS-LBPRGKRZSA-N 2 1 303.432 -1.884 20 0 DAADMP C[NH+](C)C[C@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924731 663948528 /nfs/dbraw/zinc/94/85/28/663948528.db2.gz UVBFXRKHOWUIRI-NSHDSACASA-N 2 1 319.431 -2.679 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923654440 663949599 /nfs/dbraw/zinc/94/95/99/663949599.db2.gz HWKQVJFGFRVMCV-UHFFFAOYSA-N 2 1 321.447 -1.912 20 0 DAADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000883646933 663961666 /nfs/dbraw/zinc/96/16/66/663961666.db2.gz FYYWRFWCOZPIKY-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884560494 663964529 /nfs/dbraw/zinc/96/45/29/663964529.db2.gz YTYQSYJMOSIEIB-RQJABVFESA-N 2 1 322.409 -1.071 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884560493 663964577 /nfs/dbraw/zinc/96/45/77/663964577.db2.gz YTYQSYJMOSIEIB-RFQIPJPRSA-N 2 1 322.409 -1.071 20 0 DAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884516225 663964894 /nfs/dbraw/zinc/96/48/94/663964894.db2.gz FNYFQJQQRVHJOU-KBPBESRZSA-N 2 1 323.441 -1.299 20 0 DAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884560492 663965014 /nfs/dbraw/zinc/96/50/14/663965014.db2.gz YTYQSYJMOSIEIB-CRWXNKLISA-N 2 1 322.409 -1.071 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000884571207 663965180 /nfs/dbraw/zinc/96/51/80/663965180.db2.gz JTQQWNPTNQDZHM-NDBYEHHHSA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571207 663965181 /nfs/dbraw/zinc/96/51/81/663965181.db2.gz JTQQWNPTNQDZHM-NDBYEHHHSA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CC[NH+](C)CC1 ZINC000884669619 663965499 /nfs/dbraw/zinc/96/54/99/663965499.db2.gz BBEXXUFNLOEJKP-RDBSUJKOSA-N 2 1 323.441 -1.441 20 0 DAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884603715 663965575 /nfs/dbraw/zinc/96/55/75/663965575.db2.gz PMYVCMRYMGSZRP-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000884652024 663965801 /nfs/dbraw/zinc/96/58/01/663965801.db2.gz HQRLJDWUWFNRJS-CHWSQXEVSA-N 2 1 312.414 -1.122 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884642916 663965810 /nfs/dbraw/zinc/96/58/10/663965810.db2.gz SOWDPHZJFJTRGY-XQQFMLRXSA-N 2 1 310.398 -1.214 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884642678 663965955 /nfs/dbraw/zinc/96/59/55/663965955.db2.gz OQECINMKCWNCPJ-WOSRLPQWSA-N 2 1 324.425 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000884725396 663966391 /nfs/dbraw/zinc/96/63/91/663966391.db2.gz IKWHWFYNKBGIJM-FRRDWIJNSA-N 2 1 310.398 -1.356 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC000884816200 663967846 /nfs/dbraw/zinc/96/78/46/663967846.db2.gz WEYPVGBONSDKII-UPJWGTAASA-N 2 1 310.398 -1.356 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884812753 663967892 /nfs/dbraw/zinc/96/78/92/663967892.db2.gz ZIXXPUZPZCGXQQ-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926332054 663982039 /nfs/dbraw/zinc/98/20/39/663982039.db2.gz HSRSWFUYPFOAGQ-DOMZBBRYSA-N 2 1 312.414 -1.291 20 0 DAADMP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000926335490 663982062 /nfs/dbraw/zinc/98/20/62/663982062.db2.gz RSSHUROMIHEDLC-CYBMUJFWSA-N 2 1 309.414 -1.686 20 0 DAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926332057 663982259 /nfs/dbraw/zinc/98/22/59/663982259.db2.gz HSRSWFUYPFOAGQ-WFASDCNBSA-N 2 1 312.414 -1.291 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000926336643 663982504 /nfs/dbraw/zinc/98/25/04/663982504.db2.gz ZBAGJSKSKKDDTK-IUODEOHRSA-N 2 1 310.398 -1.395 20 0 DAADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926332055 663982663 /nfs/dbraw/zinc/98/26/63/663982663.db2.gz HSRSWFUYPFOAGQ-IUODEOHRSA-N 2 1 312.414 -1.291 20 0 DAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926382271 663983651 /nfs/dbraw/zinc/98/36/51/663983651.db2.gz IVKCKOCHUXHUIY-SWLSCSKDSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926382268 663983776 /nfs/dbraw/zinc/98/37/76/663983776.db2.gz IVKCKOCHUXHUIY-DOMZBBRYSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@H]21 ZINC000926396551 663984277 /nfs/dbraw/zinc/98/42/77/663984277.db2.gz MHNWWELLPFVLBC-XJKCOSOUSA-N 2 1 324.425 -1.149 20 0 DAADMP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926440526 663984311 /nfs/dbraw/zinc/98/43/11/663984311.db2.gz SAGICOQKJRMQHN-ZENOOKHLSA-N 2 1 324.425 -1.088 20 0 DAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1(C)C ZINC000926400312 663984438 /nfs/dbraw/zinc/98/44/38/663984438.db2.gz LLNSIZKAVJFRCR-OAHLLOKOSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1(C)C ZINC000926400312 663984444 /nfs/dbraw/zinc/98/44/44/663984444.db2.gz LLNSIZKAVJFRCR-OAHLLOKOSA-N 2 1 312.414 -1.149 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000931889274 663997802 /nfs/dbraw/zinc/99/78/02/663997802.db2.gz FRVKJTSIGSMJDH-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000931889274 663997803 /nfs/dbraw/zinc/99/78/03/663997803.db2.gz FRVKJTSIGSMJDH-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931889274 663997804 /nfs/dbraw/zinc/99/78/04/663997804.db2.gz FRVKJTSIGSMJDH-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931889274 663997806 /nfs/dbraw/zinc/99/78/06/663997806.db2.gz FRVKJTSIGSMJDH-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000931885020 663997815 /nfs/dbraw/zinc/99/78/15/663997815.db2.gz BRQYQPPAZOSRHN-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000931885020 663997817 /nfs/dbraw/zinc/99/78/17/663997817.db2.gz BRQYQPPAZOSRHN-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931885020 663997818 /nfs/dbraw/zinc/99/78/18/663997818.db2.gz BRQYQPPAZOSRHN-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931885020 663997819 /nfs/dbraw/zinc/99/78/19/663997819.db2.gz BRQYQPPAZOSRHN-UONOGXRCSA-N 2 1 324.425 -1.136 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948810 664000217 /nfs/dbraw/zinc/00/02/17/664000217.db2.gz UENMEBGYFPHALW-VXGBXAGGSA-N 2 1 309.432 -1.464 20 0 DAADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000953959995 664131208 /nfs/dbraw/zinc/13/12/08/664131208.db2.gz WZDDFEBFLMBTGL-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953959995 664131212 /nfs/dbraw/zinc/13/12/12/664131212.db2.gz WZDDFEBFLMBTGL-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000953959995 664131217 /nfs/dbraw/zinc/13/12/17/664131217.db2.gz WZDDFEBFLMBTGL-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000953959995 664131220 /nfs/dbraw/zinc/13/12/20/664131220.db2.gz WZDDFEBFLMBTGL-OCCSQVGLSA-N 2 1 324.425 -1.062 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171818 664242146 /nfs/dbraw/zinc/24/21/46/664242146.db2.gz MWARMZUONVMCRQ-OLZOCXBDSA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171818 664242148 /nfs/dbraw/zinc/24/21/48/664242148.db2.gz MWARMZUONVMCRQ-OLZOCXBDSA-N 2 1 324.425 -1.243 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591770 664280761 /nfs/dbraw/zinc/28/07/61/664280761.db2.gz IHRKIGIZVSYGMB-STQMWFEESA-N 2 1 324.425 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591770 664280764 /nfs/dbraw/zinc/28/07/64/664280764.db2.gz IHRKIGIZVSYGMB-STQMWFEESA-N 2 1 324.425 -1.421 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961277839 664336533 /nfs/dbraw/zinc/33/65/33/664336533.db2.gz GNGPTSKDUYYEOE-QSUOTRRRSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961277839 664336537 /nfs/dbraw/zinc/33/65/37/664336537.db2.gz GNGPTSKDUYYEOE-QSUOTRRRSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961277839 664336541 /nfs/dbraw/zinc/33/65/41/664336541.db2.gz GNGPTSKDUYYEOE-QSUOTRRRSA-N 2 1 320.393 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961277839 664336545 /nfs/dbraw/zinc/33/65/45/664336545.db2.gz GNGPTSKDUYYEOE-QSUOTRRRSA-N 2 1 320.393 -1.619 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560198 664379092 /nfs/dbraw/zinc/37/90/92/664379092.db2.gz ZJOKSVUIODPOHX-ZAZJYDDPSA-N 2 1 320.393 -1.066 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968909778 664487962 /nfs/dbraw/zinc/48/79/62/664487962.db2.gz RJBDWTMORJUUBQ-NEPJUHHUSA-N 2 1 308.386 -1.511 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383731 664515235 /nfs/dbraw/zinc/51/52/35/664515235.db2.gz YGBPYOHFAGKVTJ-RYUDHWBXSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001010383731 664515236 /nfs/dbraw/zinc/51/52/36/664515236.db2.gz YGBPYOHFAGKVTJ-RYUDHWBXSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383731 664515238 /nfs/dbraw/zinc/51/52/38/664515238.db2.gz YGBPYOHFAGKVTJ-RYUDHWBXSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010383731 664515240 /nfs/dbraw/zinc/51/52/40/664515240.db2.gz YGBPYOHFAGKVTJ-RYUDHWBXSA-N 2 1 323.397 -1.177 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870833 664521833 /nfs/dbraw/zinc/52/18/33/664521833.db2.gz GIXPWOBVXDTYML-ZIAGYGMSSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870833 664521838 /nfs/dbraw/zinc/52/18/38/664521838.db2.gz GIXPWOBVXDTYML-ZIAGYGMSSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001010870833 664521846 /nfs/dbraw/zinc/52/18/46/664521846.db2.gz GIXPWOBVXDTYML-ZIAGYGMSSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001010870833 664521849 /nfs/dbraw/zinc/52/18/49/664521849.db2.gz GIXPWOBVXDTYML-ZIAGYGMSSA-N 2 1 324.425 -1.061 20 0 DAADMP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019170085 664595421 /nfs/dbraw/zinc/59/54/21/664595421.db2.gz ZSEGJUQYJDFQEW-XWAURUHHSA-N 2 1 308.382 -1.475 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046070 664608361 /nfs/dbraw/zinc/60/83/61/664608361.db2.gz SUNYQFYBNHYYAA-BJDJZHNGSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046070 664608364 /nfs/dbraw/zinc/60/83/64/664608364.db2.gz SUNYQFYBNHYYAA-BJDJZHNGSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020045472 664608390 /nfs/dbraw/zinc/60/83/90/664608390.db2.gz CAVKPYXJEMUPLY-FDYHWXHSSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020045472 664608393 /nfs/dbraw/zinc/60/83/93/664608393.db2.gz CAVKPYXJEMUPLY-FDYHWXHSSA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)O1 ZINC001020287858 664611359 /nfs/dbraw/zinc/61/13/59/664611359.db2.gz NTTVMICESWBFBV-SYLRKERUSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)O1 ZINC001020287858 664611360 /nfs/dbraw/zinc/61/13/60/664611360.db2.gz NTTVMICESWBFBV-SYLRKERUSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)O1 ZINC001020287857 664611404 /nfs/dbraw/zinc/61/14/04/664611404.db2.gz NTTVMICESWBFBV-NJMOYASZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)O1 ZINC001020287857 664611405 /nfs/dbraw/zinc/61/14/05/664611405.db2.gz NTTVMICESWBFBV-NJMOYASZSA-N 2 1 310.398 -1.169 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001083470407 677722525 /nfs/dbraw/zinc/72/25/25/677722525.db2.gz QBZYGZNAIZIFJG-OLZOCXBDSA-N 2 1 311.386 -1.788 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001083470407 677722526 /nfs/dbraw/zinc/72/25/26/677722526.db2.gz QBZYGZNAIZIFJG-OLZOCXBDSA-N 2 1 311.386 -1.788 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000912992917 677821005 /nfs/dbraw/zinc/82/10/05/677821005.db2.gz OIPQWUVENOYSGS-SLEUVZQESA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992917 677821009 /nfs/dbraw/zinc/82/10/09/677821009.db2.gz OIPQWUVENOYSGS-SLEUVZQESA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992917 677821012 /nfs/dbraw/zinc/82/10/12/677821012.db2.gz OIPQWUVENOYSGS-SLEUVZQESA-N 2 1 312.414 -1.103 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001083750256 677855655 /nfs/dbraw/zinc/85/56/55/677855655.db2.gz MVYXSTHDZLVDLP-KGLIPLIRSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001083750256 677855658 /nfs/dbraw/zinc/85/56/58/677855658.db2.gz MVYXSTHDZLVDLP-KGLIPLIRSA-N 2 1 322.413 -1.219 20 0 DAADMP Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C2 ZINC001077682598 677873600 /nfs/dbraw/zinc/87/36/00/677873600.db2.gz AZQDBTZUOAJRPH-MRVWCRGKSA-N 2 1 308.382 -1.092 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174560 677917333 /nfs/dbraw/zinc/91/73/33/677917333.db2.gz PEEZOAIMHXSWGO-MGPQQGTHSA-N 2 1 307.398 -1.004 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174560 677917335 /nfs/dbraw/zinc/91/73/35/677917335.db2.gz PEEZOAIMHXSWGO-MGPQQGTHSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174560 677917338 /nfs/dbraw/zinc/91/73/38/677917338.db2.gz PEEZOAIMHXSWGO-MGPQQGTHSA-N 2 1 307.398 -1.004 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001078174560 677917341 /nfs/dbraw/zinc/91/73/41/677917341.db2.gz PEEZOAIMHXSWGO-MGPQQGTHSA-N 2 1 307.398 -1.004 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001082559059 678117923 /nfs/dbraw/zinc/11/79/23/678117923.db2.gz RFFFSBQSCVGYIY-JHJVBQTASA-N 2 1 322.413 -1.265 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564081 678173641 /nfs/dbraw/zinc/17/36/41/678173641.db2.gz QKEFCVYYOAKRSX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564081 678173647 /nfs/dbraw/zinc/17/36/47/678173647.db2.gz QKEFCVYYOAKRSX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073564081 678173651 /nfs/dbraw/zinc/17/36/51/678173651.db2.gz QKEFCVYYOAKRSX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564081 678173655 /nfs/dbraw/zinc/17/36/55/678173655.db2.gz QKEFCVYYOAKRSX-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563969 678173969 /nfs/dbraw/zinc/17/39/69/678173969.db2.gz NLGSYXUNHKPLLC-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563969 678173971 /nfs/dbraw/zinc/17/39/71/678173971.db2.gz NLGSYXUNHKPLLC-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073563969 678173972 /nfs/dbraw/zinc/17/39/72/678173972.db2.gz NLGSYXUNHKPLLC-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563969 678173974 /nfs/dbraw/zinc/17/39/74/678173974.db2.gz NLGSYXUNHKPLLC-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563968 678174008 /nfs/dbraw/zinc/17/40/08/678174008.db2.gz NLGSYXUNHKPLLC-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563968 678174009 /nfs/dbraw/zinc/17/40/09/678174009.db2.gz NLGSYXUNHKPLLC-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073563968 678174010 /nfs/dbraw/zinc/17/40/10/678174010.db2.gz NLGSYXUNHKPLLC-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563968 678174011 /nfs/dbraw/zinc/17/40/11/678174011.db2.gz NLGSYXUNHKPLLC-OLZOCXBDSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563970 678174041 /nfs/dbraw/zinc/17/40/41/678174041.db2.gz NLGSYXUNHKPLLC-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563970 678174042 /nfs/dbraw/zinc/17/40/42/678174042.db2.gz NLGSYXUNHKPLLC-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073563970 678174043 /nfs/dbraw/zinc/17/40/43/678174043.db2.gz NLGSYXUNHKPLLC-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563970 678174044 /nfs/dbraw/zinc/17/40/44/678174044.db2.gz NLGSYXUNHKPLLC-STQMWFEESA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001043118581 678365757 /nfs/dbraw/zinc/36/57/57/678365757.db2.gz HTVFOQBUFBUWGP-CYBMUJFWSA-N 2 1 324.425 -1.277 20 0 DAADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900171084 678471448 /nfs/dbraw/zinc/47/14/48/678471448.db2.gz GQPUFTZCIFPCBQ-SWLSCSKDSA-N 2 1 312.414 -1.326 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009898 678472968 /nfs/dbraw/zinc/47/29/68/678472968.db2.gz FTROADXHNBTZAZ-KBPBESRZSA-N 2 1 323.441 -1.216 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009898 678472971 /nfs/dbraw/zinc/47/29/71/678472971.db2.gz FTROADXHNBTZAZ-KBPBESRZSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046009898 678472974 /nfs/dbraw/zinc/47/29/74/678472974.db2.gz FTROADXHNBTZAZ-KBPBESRZSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046009898 678472977 /nfs/dbraw/zinc/47/29/77/678472977.db2.gz FTROADXHNBTZAZ-KBPBESRZSA-N 2 1 323.441 -1.216 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081657 678477206 /nfs/dbraw/zinc/47/72/06/678477206.db2.gz HSHNYHZKCADKOB-UONOGXRCSA-N 2 1 323.441 -1.358 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)C1 ZINC001046081657 678477208 /nfs/dbraw/zinc/47/72/08/678477208.db2.gz HSHNYHZKCADKOB-UONOGXRCSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)C1 ZINC001046081657 678477211 /nfs/dbraw/zinc/47/72/11/678477211.db2.gz HSHNYHZKCADKOB-UONOGXRCSA-N 2 1 323.441 -1.358 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)C1 ZINC001046081657 678477214 /nfs/dbraw/zinc/47/72/14/678477214.db2.gz HSHNYHZKCADKOB-UONOGXRCSA-N 2 1 323.441 -1.358 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047183998 678501381 /nfs/dbraw/zinc/50/13/81/678501381.db2.gz YOBPAHVDHQSRIH-UHFFFAOYSA-N 2 1 323.397 -1.018 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)C1 ZINC001047183182 678501494 /nfs/dbraw/zinc/50/14/94/678501494.db2.gz LNWUKYFHYMLWPY-NSHDSACASA-N 2 1 321.381 -1.407 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)C1 ZINC001047183182 678501496 /nfs/dbraw/zinc/50/14/96/678501496.db2.gz LNWUKYFHYMLWPY-NSHDSACASA-N 2 1 321.381 -1.407 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)C1 ZINC001047183181 678501836 /nfs/dbraw/zinc/50/18/36/678501836.db2.gz LNWUKYFHYMLWPY-LLVKDONJSA-N 2 1 321.381 -1.407 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)C1 ZINC001047183181 678501838 /nfs/dbraw/zinc/50/18/38/678501838.db2.gz LNWUKYFHYMLWPY-LLVKDONJSA-N 2 1 321.381 -1.407 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738780 678559067 /nfs/dbraw/zinc/55/90/67/678559067.db2.gz CRJMPAMYWVFHJL-CRWXNKLISA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738780 678559071 /nfs/dbraw/zinc/55/90/71/678559071.db2.gz CRJMPAMYWVFHJL-CRWXNKLISA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738780 678559074 /nfs/dbraw/zinc/55/90/74/678559074.db2.gz CRJMPAMYWVFHJL-CRWXNKLISA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738780 678559076 /nfs/dbraw/zinc/55/90/76/678559076.db2.gz CRJMPAMYWVFHJL-CRWXNKLISA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738782 678559097 /nfs/dbraw/zinc/55/90/97/678559097.db2.gz CRJMPAMYWVFHJL-RQJABVFESA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738782 678559100 /nfs/dbraw/zinc/55/91/00/678559100.db2.gz CRJMPAMYWVFHJL-RQJABVFESA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738782 678559102 /nfs/dbraw/zinc/55/91/02/678559102.db2.gz CRJMPAMYWVFHJL-RQJABVFESA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738782 678559105 /nfs/dbraw/zinc/55/91/05/678559105.db2.gz CRJMPAMYWVFHJL-RQJABVFESA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738781 678559157 /nfs/dbraw/zinc/55/91/57/678559157.db2.gz CRJMPAMYWVFHJL-RFQIPJPRSA-N 2 1 322.409 -1.404 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738781 678559158 /nfs/dbraw/zinc/55/91/58/678559158.db2.gz CRJMPAMYWVFHJL-RFQIPJPRSA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738781 678559160 /nfs/dbraw/zinc/55/91/60/678559160.db2.gz CRJMPAMYWVFHJL-RFQIPJPRSA-N 2 1 322.409 -1.404 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738781 678559161 /nfs/dbraw/zinc/55/91/61/678559161.db2.gz CRJMPAMYWVFHJL-RFQIPJPRSA-N 2 1 322.409 -1.404 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833456 678562439 /nfs/dbraw/zinc/56/24/39/678562439.db2.gz ODGDADKOJXRSCC-XJFOESAGSA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833456 678562443 /nfs/dbraw/zinc/56/24/43/678562443.db2.gz ODGDADKOJXRSCC-XJFOESAGSA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833456 678562445 /nfs/dbraw/zinc/56/24/45/678562445.db2.gz ODGDADKOJXRSCC-XJFOESAGSA-N 2 1 322.409 -1.275 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049215627 678577934 /nfs/dbraw/zinc/57/79/34/678577934.db2.gz GRMPQBONULPPFL-MELADBBJSA-N 2 1 324.425 -1.170 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222774 678578527 /nfs/dbraw/zinc/57/85/27/678578527.db2.gz UPVPNPHYBJJWAE-MJBXVCDLSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222774 678578531 /nfs/dbraw/zinc/57/85/31/678578531.db2.gz UPVPNPHYBJJWAE-MJBXVCDLSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222774 678578535 /nfs/dbraw/zinc/57/85/35/678578535.db2.gz UPVPNPHYBJJWAE-MJBXVCDLSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222774 678578537 /nfs/dbraw/zinc/57/85/37/678578537.db2.gz UPVPNPHYBJJWAE-MJBXVCDLSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222773 678578599 /nfs/dbraw/zinc/57/85/99/678578599.db2.gz UPVPNPHYBJJWAE-HZSPNIEDSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222773 678578601 /nfs/dbraw/zinc/57/86/01/678578601.db2.gz UPVPNPHYBJJWAE-HZSPNIEDSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222773 678578606 /nfs/dbraw/zinc/57/86/06/678578606.db2.gz UPVPNPHYBJJWAE-HZSPNIEDSA-N 2 1 324.425 -1.157 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222773 678578609 /nfs/dbraw/zinc/57/86/09/678578609.db2.gz UPVPNPHYBJJWAE-HZSPNIEDSA-N 2 1 324.425 -1.157 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051495060 678759064 /nfs/dbraw/zinc/75/90/64/678759064.db2.gz ZDOCAHJFKJNDAU-NWDGAFQWSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495060 678759068 /nfs/dbraw/zinc/75/90/68/678759068.db2.gz ZDOCAHJFKJNDAU-NWDGAFQWSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051495062 678759323 /nfs/dbraw/zinc/75/93/23/678759323.db2.gz ZDOCAHJFKJNDAU-VXGBXAGGSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495062 678759326 /nfs/dbraw/zinc/75/93/26/678759326.db2.gz ZDOCAHJFKJNDAU-VXGBXAGGSA-N 2 1 323.401 -1.379 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051930242 678780216 /nfs/dbraw/zinc/78/02/16/678780216.db2.gz KIDOWLSWTHLZDC-VXGBXAGGSA-N 2 1 323.401 -1.521 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930242 678780220 /nfs/dbraw/zinc/78/02/20/678780220.db2.gz KIDOWLSWTHLZDC-VXGBXAGGSA-N 2 1 323.401 -1.521 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070015424 678850817 /nfs/dbraw/zinc/85/08/17/678850817.db2.gz YCNHLIGYRGLRQB-KGLIPLIRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070015424 678850819 /nfs/dbraw/zinc/85/08/19/678850819.db2.gz YCNHLIGYRGLRQB-KGLIPLIRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029046 678851648 /nfs/dbraw/zinc/85/16/48/678851648.db2.gz RSIBPYMDLOIPNQ-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029046 678851651 /nfs/dbraw/zinc/85/16/51/678851651.db2.gz RSIBPYMDLOIPNQ-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029046 678851655 /nfs/dbraw/zinc/85/16/55/678851655.db2.gz RSIBPYMDLOIPNQ-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029046 678851657 /nfs/dbraw/zinc/85/16/57/678851657.db2.gz RSIBPYMDLOIPNQ-MCIONIFRSA-N 2 1 322.413 -1.046 20 0 DAADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165598 678857415 /nfs/dbraw/zinc/85/74/15/678857415.db2.gz RNWJOHHLMCVAPF-FRRDWIJNSA-N 2 1 308.386 -1.030 20 0 DAADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165598 678857419 /nfs/dbraw/zinc/85/74/19/678857419.db2.gz RNWJOHHLMCVAPF-FRRDWIJNSA-N 2 1 308.386 -1.030 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390742998 678859876 /nfs/dbraw/zinc/85/98/76/678859876.db2.gz SKENVBVSEAXIRW-KGLIPLIRSA-N 2 1 316.446 -1.288 20 0 DAADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001273910063 782222073 /nfs/dbraw/zinc/22/20/73/782222073.db2.gz MDSQHQSAFSZLEH-MJKAUQOVSA-N 2 1 311.386 -1.074 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060223 782227270 /nfs/dbraw/zinc/22/72/70/782227270.db2.gz VPWCFNZKPTXTIS-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CC(=O)NCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273999432 782257009 /nfs/dbraw/zinc/25/70/09/782257009.db2.gz KIWZJNXCNJJCOO-HNNXBMFYSA-N 2 1 312.414 -1.013 20 0 DAADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274073760 782264088 /nfs/dbraw/zinc/26/40/88/782264088.db2.gz OUMBYIZZDIWLIQ-HNNXBMFYSA-N 2 1 312.414 -1.155 20 0 DAADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274073760 782264098 /nfs/dbraw/zinc/26/40/98/782264098.db2.gz OUMBYIZZDIWLIQ-HNNXBMFYSA-N 2 1 312.414 -1.155 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001274716029 782292429 /nfs/dbraw/zinc/29/24/29/782292429.db2.gz OAVGGJOVSAXIQO-GHMZBOCLSA-N 2 1 322.431 -2.040 20 0 DAADMP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001274716029 782292437 /nfs/dbraw/zinc/29/24/37/782292437.db2.gz OAVGGJOVSAXIQO-GHMZBOCLSA-N 2 1 322.431 -2.040 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CCNS(C)(=O)=O ZINC001275022907 782301768 /nfs/dbraw/zinc/30/17/68/782301768.db2.gz OHVPFXBNZSPVHW-SNVBAGLBSA-N 2 1 317.415 -1.165 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114769835 782376386 /nfs/dbraw/zinc/37/63/86/782376386.db2.gz IYWBTKFMLNDJBB-PJXYFTJBSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114769835 782376394 /nfs/dbraw/zinc/37/63/94/782376394.db2.gz IYWBTKFMLNDJBB-PJXYFTJBSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114741129 782372538 /nfs/dbraw/zinc/37/25/38/782372538.db2.gz JHICDQWMNBWFJR-IAZYJMLFSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114741129 782372546 /nfs/dbraw/zinc/37/25/46/782372546.db2.gz JHICDQWMNBWFJR-IAZYJMLFSA-N 2 1 323.397 -1.431 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047629020 782408355 /nfs/dbraw/zinc/40/83/55/782408355.db2.gz PNAGMTMEGLUCOD-RDBSUJKOSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047629020 782408359 /nfs/dbraw/zinc/40/83/59/782408359.db2.gz PNAGMTMEGLUCOD-RDBSUJKOSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047629020 782408366 /nfs/dbraw/zinc/40/83/66/782408366.db2.gz PNAGMTMEGLUCOD-RDBSUJKOSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047629020 782408374 /nfs/dbraw/zinc/40/83/74/782408374.db2.gz PNAGMTMEGLUCOD-RDBSUJKOSA-N 2 1 322.413 -1.267 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100036960 782533555 /nfs/dbraw/zinc/53/35/55/782533555.db2.gz QFKGWRPQGDGUKC-CHWSQXEVSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100036960 782533560 /nfs/dbraw/zinc/53/35/60/782533560.db2.gz QFKGWRPQGDGUKC-CHWSQXEVSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100036962 782533369 /nfs/dbraw/zinc/53/33/69/782533369.db2.gz QFKGWRPQGDGUKC-QWHCGFSZSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100036962 782533372 /nfs/dbraw/zinc/53/33/72/782533372.db2.gz QFKGWRPQGDGUKC-QWHCGFSZSA-N 2 1 301.387 -1.748 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109490 782553897 /nfs/dbraw/zinc/55/38/97/782553897.db2.gz GFRSSZTXPCMORQ-UONOGXRCSA-N 2 1 315.414 -1.358 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100131341 782559715 /nfs/dbraw/zinc/55/97/15/782559715.db2.gz BPWNZYCBMHTOEA-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100131341 782559721 /nfs/dbraw/zinc/55/97/21/782559721.db2.gz BPWNZYCBMHTOEA-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100131341 782559728 /nfs/dbraw/zinc/55/97/28/782559728.db2.gz BPWNZYCBMHTOEA-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100131341 782559730 /nfs/dbraw/zinc/55/97/30/782559730.db2.gz BPWNZYCBMHTOEA-QWHCGFSZSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131342 782559940 /nfs/dbraw/zinc/55/99/40/782559940.db2.gz BPWNZYCBMHTOEA-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131342 782559914 /nfs/dbraw/zinc/55/99/14/782559914.db2.gz BPWNZYCBMHTOEA-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131342 782559921 /nfs/dbraw/zinc/55/99/21/782559921.db2.gz BPWNZYCBMHTOEA-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100131342 782559929 /nfs/dbraw/zinc/55/99/29/782559929.db2.gz BPWNZYCBMHTOEA-STQMWFEESA-N 2 1 314.430 -1.034 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100212298 782563331 /nfs/dbraw/zinc/56/33/31/782563331.db2.gz WSOFZTXISAFDKT-RUXDESIVSA-N 2 1 315.414 -1.190 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100212298 782563323 /nfs/dbraw/zinc/56/33/23/782563323.db2.gz WSOFZTXISAFDKT-RUXDESIVSA-N 2 1 315.414 -1.190 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC)C2)C1 ZINC001101006420 782588783 /nfs/dbraw/zinc/58/87/83/782588783.db2.gz JCOLUOVOHPHBHR-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC)C2)C1 ZINC001101006420 782588788 /nfs/dbraw/zinc/58/87/88/782588788.db2.gz JCOLUOVOHPHBHR-WXRRBKDZSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468371 782617790 /nfs/dbraw/zinc/61/77/90/782617790.db2.gz FJAXVHFBAYCKSL-CHWSQXEVSA-N 2 1 312.414 -1.122 20 0 DAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468371 782617794 /nfs/dbraw/zinc/61/77/94/782617794.db2.gz FJAXVHFBAYCKSL-CHWSQXEVSA-N 2 1 312.414 -1.122 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001115119503 782642347 /nfs/dbraw/zinc/64/23/47/782642347.db2.gz ZAQODRCYVQUMQC-VIKVFOODSA-N 2 1 324.425 -1.157 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241342 782647592 /nfs/dbraw/zinc/64/75/92/782647592.db2.gz GPARBPWLKGEISF-YABSGUDNSA-N 2 1 323.397 -1.416 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241342 782647594 /nfs/dbraw/zinc/64/75/94/782647594.db2.gz GPARBPWLKGEISF-YABSGUDNSA-N 2 1 323.397 -1.416 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125861 782643842 /nfs/dbraw/zinc/64/38/42/782643842.db2.gz DBDKWRGMPJZVRB-CXTNEJHOSA-N 2 1 315.414 -1.382 20 0 DAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118331722 782715256 /nfs/dbraw/zinc/71/52/56/782715256.db2.gz YHFIAQXFXAYUQV-RFQIPJPRSA-N 2 1 324.425 -1.280 20 0 DAADMP OC[C@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726624 /nfs/dbraw/zinc/72/66/24/782726624.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 2 1 314.426 -1.107 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC001118867640 782737087 /nfs/dbraw/zinc/73/70/87/782737087.db2.gz NBEBNMSKGRQVLW-WCQYABFASA-N 2 1 310.398 -1.142 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001119351907 782752745 /nfs/dbraw/zinc/75/27/45/782752745.db2.gz MEVBEJGUUBDNIS-STQMWFEESA-N 2 1 311.430 -1.312 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119417678 782752871 /nfs/dbraw/zinc/75/28/71/782752871.db2.gz SOZNMKYGOOOSJU-HAQNSBGRSA-N 2 1 300.403 -1.076 20 0 DAADMP CN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310007 775127900 /nfs/dbraw/zinc/12/79/00/775127900.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP CN1CCO[C@@H](C(=O)N[C@H]2CCN(CCOCCO)C2)C1 ZINC001266310007 775127906 /nfs/dbraw/zinc/12/79/06/775127906.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 1 301.387 -1.484 20 0 DAADMP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534815 775144982 /nfs/dbraw/zinc/14/49/82/775144982.db2.gz HLDOUMOGBLZSCZ-UHFFFAOYSA-N 2 1 324.425 -1.147 20 0 DAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666799 775168838 /nfs/dbraw/zinc/16/88/38/775168838.db2.gz DRIZJUJZIQWFSE-VIFPVBQESA-N 2 1 301.347 -2.440 20 0 DAADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000300284164 775172327 /nfs/dbraw/zinc/17/23/27/775172327.db2.gz NKZLXVUHRSYFND-QWHCGFSZSA-N 2 1 303.403 -1.203 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266954963 775188967 /nfs/dbraw/zinc/18/89/67/775188967.db2.gz WZDWXMYKZOCTJW-JTQLQIEISA-N 2 1 322.369 -1.162 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001266954968 775189036 /nfs/dbraw/zinc/18/90/36/775189036.db2.gz WZDWXMYKZOCTJW-SNVBAGLBSA-N 2 1 322.369 -1.162 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266989156 775192318 /nfs/dbraw/zinc/19/23/18/775192318.db2.gz UDFDVGGQFCQLLK-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098561205 775197765 /nfs/dbraw/zinc/19/77/65/775197765.db2.gz WUGAMAVCAXXOBV-GFCCVEGCSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)C1 ZINC001098561205 775197768 /nfs/dbraw/zinc/19/77/68/775197768.db2.gz WUGAMAVCAXXOBV-GFCCVEGCSA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)C1 ZINC001098561205 775197769 /nfs/dbraw/zinc/19/77/69/775197769.db2.gz WUGAMAVCAXXOBV-GFCCVEGCSA-N 2 1 312.414 -1.291 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114992150 775214481 /nfs/dbraw/zinc/21/44/81/775214481.db2.gz PKSCHZKMQNNDQQ-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114992150 775214488 /nfs/dbraw/zinc/21/44/88/775214488.db2.gz PKSCHZKMQNNDQQ-IWIIMEHWSA-N 2 1 311.386 -1.431 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263489 775220428 /nfs/dbraw/zinc/22/04/28/775220428.db2.gz JYXCOLAIMNDTMP-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCOCCO)C1 ZINC001267263489 775220433 /nfs/dbraw/zinc/22/04/33/775220433.db2.gz JYXCOLAIMNDTMP-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCOCCO)C1 ZINC001267263489 775220436 /nfs/dbraw/zinc/22/04/36/775220436.db2.gz JYXCOLAIMNDTMP-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263489 775220440 /nfs/dbraw/zinc/22/04/40/775220440.db2.gz JYXCOLAIMNDTMP-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267359165 775229898 /nfs/dbraw/zinc/22/98/98/775229898.db2.gz CFUWRKYHJFDZLM-LLVKDONJSA-N 2 1 322.431 -2.086 20 0 DAADMP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267359165 775229902 /nfs/dbraw/zinc/22/99/02/775229902.db2.gz CFUWRKYHJFDZLM-LLVKDONJSA-N 2 1 322.431 -2.086 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267698650 775269032 /nfs/dbraw/zinc/26/90/32/775269032.db2.gz DOVHYACHEJNORL-AWEZNQCLSA-N 2 1 315.414 -1.236 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267698650 775269035 /nfs/dbraw/zinc/26/90/35/775269035.db2.gz DOVHYACHEJNORL-AWEZNQCLSA-N 2 1 315.414 -1.236 20 0 DAADMP O=C(CCN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114979615 775326648 /nfs/dbraw/zinc/32/66/48/775326648.db2.gz AKDHUAATJFZTIV-COMQUAJESA-N 2 1 322.409 -1.356 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114979615 775326673 /nfs/dbraw/zinc/32/66/73/775326673.db2.gz AKDHUAATJFZTIV-COMQUAJESA-N 2 1 322.409 -1.356 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268520871 775394842 /nfs/dbraw/zinc/39/48/42/775394842.db2.gz KVBOLTWMAINANO-HNFMAKEJSA-N 2 1 301.387 -1.414 20 0 DAADMP COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268520871 775394852 /nfs/dbraw/zinc/39/48/52/775394852.db2.gz KVBOLTWMAINANO-HNFMAKEJSA-N 2 1 301.387 -1.414 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268576334 775400574 /nfs/dbraw/zinc/40/05/74/775400574.db2.gz UUXDZUWGWMRUFC-DLRQAJBASA-N 2 1 311.386 -1.202 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001268580661 775402005 /nfs/dbraw/zinc/40/20/05/775402005.db2.gz ZXSKUGSORUJGOO-UFFNRZRYSA-N 2 1 311.386 -1.072 20 0 DAADMP CN(CC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2)C(N)=[NH2+] ZINC001268996156 775433124 /nfs/dbraw/zinc/43/31/24/775433124.db2.gz IYVWCPAFNDVNPO-UHFFFAOYSA-N 2 1 305.386 -1.147 20 0 DAADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094403 775441633 /nfs/dbraw/zinc/44/16/33/775441633.db2.gz GIPNKGWINBKFCE-OKILXGFUSA-N 2 1 314.430 -1.880 20 0 DAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001271012065 775524343 /nfs/dbraw/zinc/52/43/43/775524343.db2.gz QFMJUMOETHAZJQ-UHFFFAOYSA-N 2 1 310.398 -1.307 20 0 DAADMP CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273561 775568165 /nfs/dbraw/zinc/56/81/65/775568165.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 1 324.425 -1.328 20 0 DAADMP CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001272273561 775568173 /nfs/dbraw/zinc/56/81/73/775568173.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 1 324.425 -1.328 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCCOC)C2)C1 ZINC001271393095 775573802 /nfs/dbraw/zinc/57/38/02/775573802.db2.gz JZPSTYNTMCJEDS-CYBMUJFWSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCCOC)C2)C1 ZINC001271393095 775573813 /nfs/dbraw/zinc/57/38/13/775573813.db2.gz JZPSTYNTMCJEDS-CYBMUJFWSA-N 2 1 315.414 -1.094 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974314 775720122 /nfs/dbraw/zinc/72/01/22/775720122.db2.gz ULQAYVYZQUEWCL-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974314 775720130 /nfs/dbraw/zinc/72/01/30/775720130.db2.gz ULQAYVYZQUEWCL-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP COC[C@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417614 775733835 /nfs/dbraw/zinc/73/38/35/775733835.db2.gz VXQCIUBXOYODRU-CYBMUJFWSA-N 2 1 303.403 -1.188 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254193 775763594 /nfs/dbraw/zinc/76/35/94/775763594.db2.gz CZMFZHJMTJNNLU-WDEREUQCSA-N 2 1 311.386 -1.239 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001127643901 775818946 /nfs/dbraw/zinc/81/89/46/775818946.db2.gz QOTBPCKGUNUYGX-GHMZBOCLSA-N 2 1 311.386 -1.416 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127691048 775824077 /nfs/dbraw/zinc/82/40/77/775824077.db2.gz ZEKBNNVMMFRBMQ-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124879395 775831923 /nfs/dbraw/zinc/83/19/23/775831923.db2.gz SQSFVPHQSBTSJJ-NSHDSACASA-N 2 1 311.386 -1.272 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879783 775832967 /nfs/dbraw/zinc/83/29/67/775832967.db2.gz ZPJOCKVXIRFFEG-CYBMUJFWSA-N 2 1 300.403 -1.061 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221381 775840315 /nfs/dbraw/zinc/84/03/15/775840315.db2.gz PRLGYWIIUMBBAC-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221381 775840323 /nfs/dbraw/zinc/84/03/23/775840323.db2.gz PRLGYWIIUMBBAC-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125219793 775840426 /nfs/dbraw/zinc/84/04/26/775840426.db2.gz BWHJNLGTXFZSIX-GFCCVEGCSA-N 2 1 315.418 -1.270 20 0 DAADMP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125219793 775840431 /nfs/dbraw/zinc/84/04/31/775840431.db2.gz BWHJNLGTXFZSIX-GFCCVEGCSA-N 2 1 315.418 -1.270 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220189 775840459 /nfs/dbraw/zinc/84/04/59/775840459.db2.gz DUBUJECEXKRPML-OLZOCXBDSA-N 2 1 319.402 -1.953 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220189 775840462 /nfs/dbraw/zinc/84/04/62/775840462.db2.gz DUBUJECEXKRPML-OLZOCXBDSA-N 2 1 319.402 -1.953 20 0 DAADMP C[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)CS(C)(=O)=O ZINC001125227782 775840635 /nfs/dbraw/zinc/84/06/35/775840635.db2.gz ZCBSGRQLEFZIDF-NWDGAFQWSA-N 2 1 321.443 -1.297 20 0 DAADMP C[C@@H](C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CS(C)(=O)=O ZINC001125227782 775840642 /nfs/dbraw/zinc/84/06/42/775840642.db2.gz ZCBSGRQLEFZIDF-NWDGAFQWSA-N 2 1 321.443 -1.297 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001125209304 775841786 /nfs/dbraw/zinc/84/17/86/775841786.db2.gz QXSPAFVJCWRWPX-NSHDSACASA-N 2 1 312.370 -1.828 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001125209304 775841791 /nfs/dbraw/zinc/84/17/91/775841791.db2.gz QXSPAFVJCWRWPX-NSHDSACASA-N 2 1 312.370 -1.828 20 0 DAADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221253 775841849 /nfs/dbraw/zinc/84/18/49/775841849.db2.gz OTAZXJOWIAOYCW-LBPRGKRZSA-N 2 1 300.403 -1.205 20 0 DAADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221253 775841853 /nfs/dbraw/zinc/84/18/53/775841853.db2.gz OTAZXJOWIAOYCW-LBPRGKRZSA-N 2 1 300.403 -1.205 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214139 775842237 /nfs/dbraw/zinc/84/22/37/775842237.db2.gz PULCOJWNEMRESF-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214139 775842241 /nfs/dbraw/zinc/84/22/41/775842241.db2.gz PULCOJWNEMRESF-LBPRGKRZSA-N 2 1 316.402 -1.825 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125219769 775842517 /nfs/dbraw/zinc/84/25/17/775842517.db2.gz BKIXGEUYULTKCF-SECBINFHSA-N 2 1 301.347 -2.522 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125219769 775842526 /nfs/dbraw/zinc/84/25/26/775842526.db2.gz BKIXGEUYULTKCF-SECBINFHSA-N 2 1 301.347 -2.522 20 0 DAADMP C[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CS(C)(=O)=O ZINC001125227783 775842550 /nfs/dbraw/zinc/84/25/50/775842550.db2.gz ZCBSGRQLEFZIDF-RYUDHWBXSA-N 2 1 321.443 -1.297 20 0 DAADMP C[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CS(C)(=O)=O ZINC001125227783 775842562 /nfs/dbraw/zinc/84/25/62/775842562.db2.gz ZCBSGRQLEFZIDF-RYUDHWBXSA-N 2 1 321.443 -1.297 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC001127777786 775861412 /nfs/dbraw/zinc/86/14/12/775861412.db2.gz BQNARQAIKAHUHT-OLZOCXBDSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1 ZINC001127779326 775863612 /nfs/dbraw/zinc/86/36/12/775863612.db2.gz LGPWOCAJQIEOQF-QWHCGFSZSA-N 2 1 310.398 -1.212 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779162 775863713 /nfs/dbraw/zinc/86/37/13/775863713.db2.gz JQTBKRCDYOEFJI-ZJUUUORDSA-N 2 1 313.358 -2.250 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779745 775863746 /nfs/dbraw/zinc/86/37/46/775863746.db2.gz RMBUAOKPQVGHQR-NWDGAFQWSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779745 775863754 /nfs/dbraw/zinc/86/37/54/775863754.db2.gz RMBUAOKPQVGHQR-NWDGAFQWSA-N 2 1 308.386 -1.116 20 0 DAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780056 775864716 /nfs/dbraw/zinc/86/47/16/775864716.db2.gz VERDFCOPPCSHMB-RYUDHWBXSA-N 2 1 319.427 -1.400 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779161 775864970 /nfs/dbraw/zinc/86/49/70/775864970.db2.gz JQTBKRCDYOEFJI-VHSXEESVSA-N 2 1 313.358 -2.250 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)O1 ZINC001108023438 775922926 /nfs/dbraw/zinc/92/29/26/775922926.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 2 1 315.414 -1.095 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C1CC1 ZINC001129052774 776053096 /nfs/dbraw/zinc/05/30/96/776053096.db2.gz LEAOIEWTCYXWRC-RDBSUJKOSA-N 2 1 322.413 -1.048 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C1CC1 ZINC001129052774 776053099 /nfs/dbraw/zinc/05/30/99/776053099.db2.gz LEAOIEWTCYXWRC-RDBSUJKOSA-N 2 1 322.413 -1.048 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)C1 ZINC001084078741 776156378 /nfs/dbraw/zinc/15/63/78/776156378.db2.gz GZVZRWKJAVSTNT-AGIUHOORSA-N 2 1 301.387 -1.749 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)C1 ZINC001084078742 776156878 /nfs/dbraw/zinc/15/68/78/776156878.db2.gz GZVZRWKJAVSTNT-FRRDWIJNSA-N 2 1 301.387 -1.749 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053031 776158278 /nfs/dbraw/zinc/15/82/78/776158278.db2.gz QIFORIGQPMDVIE-XQQFMLRXSA-N 2 1 310.398 -1.668 20 0 DAADMP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036395 776243576 /nfs/dbraw/zinc/24/35/76/776243576.db2.gz FXLMNVNHLISSHL-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036395 776243580 /nfs/dbraw/zinc/24/35/80/776243580.db2.gz FXLMNVNHLISSHL-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036393 776244137 /nfs/dbraw/zinc/24/41/37/776244137.db2.gz FXLMNVNHLISSHL-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036393 776244145 /nfs/dbraw/zinc/24/41/45/776244145.db2.gz FXLMNVNHLISSHL-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100041279 776250699 /nfs/dbraw/zinc/25/06/99/776250699.db2.gz GVMXDBGDBPEVSC-UONOGXRCSA-N 2 1 317.430 -1.112 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001156146447 776273700 /nfs/dbraw/zinc/27/37/00/776273700.db2.gz YXHOJGYXYNDROR-LBPRGKRZSA-N 2 1 313.402 -1.562 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001156146447 776273708 /nfs/dbraw/zinc/27/37/08/776273708.db2.gz YXHOJGYXYNDROR-LBPRGKRZSA-N 2 1 313.402 -1.562 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001156145471 776273888 /nfs/dbraw/zinc/27/38/88/776273888.db2.gz LGCFQSKWMDWQAE-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001156145471 776273893 /nfs/dbraw/zinc/27/38/93/776273893.db2.gz LGCFQSKWMDWQAE-NSHDSACASA-N 2 1 307.416 -1.543 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108343658 776276696 /nfs/dbraw/zinc/27/66/96/776276696.db2.gz WXPWAHSSUKVUMA-CQSZACIVSA-N 2 1 303.403 -1.236 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108343658 776276705 /nfs/dbraw/zinc/27/67/05/776276705.db2.gz WXPWAHSSUKVUMA-CQSZACIVSA-N 2 1 303.403 -1.236 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108568471 776305014 /nfs/dbraw/zinc/30/50/14/776305014.db2.gz UQGMPDOFWRALRC-LBPRGKRZSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108568470 776305980 /nfs/dbraw/zinc/30/59/80/776305980.db2.gz UQGMPDOFWRALRC-GFCCVEGCSA-N 2 1 312.414 -1.278 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129369826 776316578 /nfs/dbraw/zinc/31/65/78/776316578.db2.gz IDSWNVLAVSOSGQ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129369826 776316591 /nfs/dbraw/zinc/31/65/91/776316591.db2.gz IDSWNVLAVSOSGQ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129369826 776316602 /nfs/dbraw/zinc/31/66/02/776316602.db2.gz IDSWNVLAVSOSGQ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129369826 776316610 /nfs/dbraw/zinc/31/66/10/776316610.db2.gz IDSWNVLAVSOSGQ-OLZOCXBDSA-N 2 1 310.402 -1.046 20 0 DAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380089 776325757 /nfs/dbraw/zinc/32/57/57/776325757.db2.gz CNRLWJNFPLFXPM-ZDUSSCGKSA-N 2 1 324.429 -1.003 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129386018 776328959 /nfs/dbraw/zinc/32/89/59/776328959.db2.gz JBPOPGHTLLDNTQ-CYBMUJFWSA-N 2 1 322.413 -1.202 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129385479 776329181 /nfs/dbraw/zinc/32/91/81/776329181.db2.gz FOLUJXJIPSBTSW-CHWSQXEVSA-N 2 1 322.413 -1.202 20 0 DAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129385020 776329718 /nfs/dbraw/zinc/32/97/18/776329718.db2.gz CLQXPXDGRKNDSF-OLZOCXBDSA-N 2 1 322.413 -1.250 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387488 776330858 /nfs/dbraw/zinc/33/08/58/776330858.db2.gz VGUNGMQMZFORMS-RYUDHWBXSA-N 2 1 310.402 -1.346 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(=O)N(C)C ZINC001129386501 776332018 /nfs/dbraw/zinc/33/20/18/776332018.db2.gz MIPDIPBLJDPQSY-CHWSQXEVSA-N 2 1 324.429 -1.004 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129387195 776333639 /nfs/dbraw/zinc/33/36/39/776333639.db2.gz TXJOCAIPHOGLBW-NEPJUHHUSA-N 2 1 308.386 -1.592 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCOCCO ZINC001129387637 776334304 /nfs/dbraw/zinc/33/43/04/776334304.db2.gz XRVWEKIXBBZOFJ-CYBMUJFWSA-N 2 1 313.402 -1.472 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100131427 776338437 /nfs/dbraw/zinc/33/84/37/776338437.db2.gz CUMCNSLSTOGIIM-KBPBESRZSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100131427 776338447 /nfs/dbraw/zinc/33/84/47/776338447.db2.gz CUMCNSLSTOGIIM-KBPBESRZSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100131428 776339143 /nfs/dbraw/zinc/33/91/43/776339143.db2.gz CUMCNSLSTOGIIM-KGLIPLIRSA-N 2 1 317.430 -1.113 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100131428 776339150 /nfs/dbraw/zinc/33/91/50/776339150.db2.gz CUMCNSLSTOGIIM-KGLIPLIRSA-N 2 1 317.430 -1.113 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416838 776471225 /nfs/dbraw/zinc/47/12/25/776471225.db2.gz KFYHUTAQNXITFS-SNVBAGLBSA-N 2 1 322.369 -1.078 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130081202 776492264 /nfs/dbraw/zinc/49/22/64/776492264.db2.gz CXCSYVQFFXADBZ-NEPJUHHUSA-N 2 1 323.401 -1.553 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)O1 ZINC001130187035 776496990 /nfs/dbraw/zinc/49/69/90/776496990.db2.gz NXOKJRLARVNBNE-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)O1 ZINC001130187035 776496992 /nfs/dbraw/zinc/49/69/92/776496992.db2.gz NXOKJRLARVNBNE-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)O1 ZINC001130182673 776497509 /nfs/dbraw/zinc/49/75/09/776497509.db2.gz SCWWJYCVRKKHLZ-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)O1 ZINC001130182673 776497514 /nfs/dbraw/zinc/49/75/14/776497514.db2.gz SCWWJYCVRKKHLZ-VXGBXAGGSA-N 2 1 321.443 -1.154 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)O1 ZINC001130182714 776497868 /nfs/dbraw/zinc/49/78/68/776497868.db2.gz UODUTTNSXOFGAH-VXGBXAGGSA-N 2 1 313.402 -1.564 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)O1 ZINC001130182714 776497872 /nfs/dbraw/zinc/49/78/72/776497872.db2.gz UODUTTNSXOFGAH-VXGBXAGGSA-N 2 1 313.402 -1.564 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130182449 776498042 /nfs/dbraw/zinc/49/80/42/776498042.db2.gz IDELNNNQDQSLAX-IJLUTSLNSA-N 2 1 300.403 -1.112 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001130182449 776498044 /nfs/dbraw/zinc/49/80/44/776498044.db2.gz IDELNNNQDQSLAX-IJLUTSLNSA-N 2 1 300.403 -1.112 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131380368 776567963 /nfs/dbraw/zinc/56/79/63/776567963.db2.gz JUULHZGKRVKWRQ-UHFFFAOYSA-N 2 1 309.370 -1.244 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521948 776572136 /nfs/dbraw/zinc/57/21/36/776572136.db2.gz MVGFVRMJBANBEG-AKUZOMFGSA-N 2 1 310.398 -1.310 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521951 776572427 /nfs/dbraw/zinc/57/24/27/776572427.db2.gz MVGFVRMJBANBEG-NGWKBDRKSA-N 2 1 310.398 -1.310 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520264 776574727 /nfs/dbraw/zinc/57/47/27/776574727.db2.gz WIXOICMMMNJTLG-GLWUULTISA-N 2 1 320.397 -1.116 20 0 DAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520264 776574732 /nfs/dbraw/zinc/57/47/32/776574732.db2.gz WIXOICMMMNJTLG-GLWUULTISA-N 2 1 320.397 -1.116 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519298 776575259 /nfs/dbraw/zinc/57/52/59/776575259.db2.gz CSYSHRVKGYVXOC-JVWICGRDSA-N 2 1 313.398 -1.436 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100185686 776622413 /nfs/dbraw/zinc/62/24/13/776622413.db2.gz KQUCPNHYIWSVFY-ILDUYXDCSA-N 2 1 311.386 -1.240 20 0 DAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001133004698 776648136 /nfs/dbraw/zinc/64/81/36/776648136.db2.gz HRIJAIPIDQSWHN-SNVBAGLBSA-N 2 1 322.369 -1.345 20 0 DAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133823972 776678291 /nfs/dbraw/zinc/67/82/91/776678291.db2.gz USFQIGUPOZTNPN-LLVKDONJSA-N 2 1 306.432 -1.274 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133871216 776680522 /nfs/dbraw/zinc/68/05/22/776680522.db2.gz YQALWLFKYFHNBQ-VXGBXAGGSA-N 2 1 320.459 -1.219 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870631 776680880 /nfs/dbraw/zinc/68/08/80/776680880.db2.gz UZERSURZBFOFCZ-MNOVXSKESA-N 2 1 313.402 -1.264 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133871213 776680928 /nfs/dbraw/zinc/68/09/28/776680928.db2.gz YQALWLFKYFHNBQ-NEPJUHHUSA-N 2 1 320.459 -1.219 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133862645 776681371 /nfs/dbraw/zinc/68/13/71/776681371.db2.gz DYGJOPVMNOXIIS-MNOVXSKESA-N 2 1 306.432 -1.561 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133863510 776681277 /nfs/dbraw/zinc/68/12/77/776681277.db2.gz MXQYEVXIZWYRSV-MNOVXSKESA-N 2 1 311.386 -1.558 20 0 DAADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001133899331 776682957 /nfs/dbraw/zinc/68/29/57/776682957.db2.gz CHKNPDVDPVMNAX-UHFFFAOYSA-N 2 1 301.391 -1.135 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095969 776734720 /nfs/dbraw/zinc/73/47/20/776734720.db2.gz YCEKHCODLVJXOD-QWRGUYRKSA-N 2 1 311.386 -1.096 20 0 DAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095968 776734783 /nfs/dbraw/zinc/73/47/83/776734783.db2.gz YCEKHCODLVJXOD-MNOVXSKESA-N 2 1 311.386 -1.096 20 0 DAADMP CNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322161 776749041 /nfs/dbraw/zinc/74/90/41/776749041.db2.gz WWTJCMYQVOZTIE-UHFFFAOYSA-N 2 1 300.403 -1.059 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001135340447 776750103 /nfs/dbraw/zinc/75/01/03/776750103.db2.gz AMPDVNNCDGIPSM-SNVBAGLBSA-N 2 1 315.374 -2.002 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349825 776751419 /nfs/dbraw/zinc/75/14/19/776751419.db2.gz DQKMMEVXJZCWCT-UHFFFAOYSA-N 2 1 315.374 -2.130 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350448 776753239 /nfs/dbraw/zinc/75/32/39/776753239.db2.gz YGYPDCITHWQERV-UHFFFAOYSA-N 2 1 300.403 -1.059 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(=O)N(C)C ZINC001135352519 776753284 /nfs/dbraw/zinc/75/32/84/776753284.db2.gz FZAZDGPNPNHAAU-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP O=S(=O)(CC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246098321 776788579 /nfs/dbraw/zinc/78/85/79/776788579.db2.gz AJSSAKSCTYJUJQ-LBPRGKRZSA-N 3 1 318.443 -1.668 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731951 776834635 /nfs/dbraw/zinc/83/46/35/776834635.db2.gz YSJODWIAPFJIIQ-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731951 776834645 /nfs/dbraw/zinc/83/46/45/776834645.db2.gz YSJODWIAPFJIIQ-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731952 776837448 /nfs/dbraw/zinc/83/74/48/776837448.db2.gz YSJODWIAPFJIIQ-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731952 776837455 /nfs/dbraw/zinc/83/74/55/776837455.db2.gz YSJODWIAPFJIIQ-OLZOCXBDSA-N 2 1 324.425 -1.278 20 0 DAADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119618338 779508886 /nfs/dbraw/zinc/50/88/86/779508886.db2.gz HEBBCEDGLUORIV-OLZOCXBDSA-N 2 1 311.430 -1.406 20 0 DAADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001120420443 779519787 /nfs/dbraw/zinc/51/97/87/779519787.db2.gz KMFHHYLGLDXDRF-UHFFFAOYSA-N 2 1 311.430 -1.262 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001120420645 779520641 /nfs/dbraw/zinc/52/06/41/779520641.db2.gz MVWOZBRVBFNRSY-ZDEQEGDKSA-N 2 1 310.398 -1.181 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001120514987 779523603 /nfs/dbraw/zinc/52/36/03/779523603.db2.gz MBGXGEVKWUQCCG-CHWSQXEVSA-N 2 1 311.430 -1.454 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001121916387 779552211 /nfs/dbraw/zinc/55/22/11/779552211.db2.gz XJNLVCNXVWGUOQ-QWHCGFSZSA-N 2 1 311.430 -1.406 20 0 DAADMP CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001121916388 779552249 /nfs/dbraw/zinc/55/22/49/779552249.db2.gz XJNLVCNXVWGUOQ-STQMWFEESA-N 2 1 311.430 -1.406 20 0 DAADMP CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+](C)CC1 ZINC001122376649 779563386 /nfs/dbraw/zinc/56/33/86/779563386.db2.gz DOEIWDLYDGPCLH-CYBMUJFWSA-N 2 1 311.430 -1.440 20 0 DAADMP COCC[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001122573041 779569144 /nfs/dbraw/zinc/56/91/44/779569144.db2.gz GKOITDPWWYKVPP-GXTWGEPZSA-N 2 1 301.387 -1.436 20 0 DAADMP COCC[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001122573041 779569150 /nfs/dbraw/zinc/56/91/50/779569150.db2.gz GKOITDPWWYKVPP-GXTWGEPZSA-N 2 1 301.387 -1.436 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203914 779607974 /nfs/dbraw/zinc/60/79/74/779607974.db2.gz VFQVVJJYLDCWAF-BDAKNGLRSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203914 779607981 /nfs/dbraw/zinc/60/79/81/779607981.db2.gz VFQVVJJYLDCWAF-BDAKNGLRSA-N 2 1 301.347 -2.394 20 0 DAADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125220840 779609316 /nfs/dbraw/zinc/60/93/16/779609316.db2.gz KYRVJIHPGZJWDW-CYBMUJFWSA-N 2 1 310.402 -1.069 20 0 DAADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125220840 779609319 /nfs/dbraw/zinc/60/93/19/779609319.db2.gz KYRVJIHPGZJWDW-CYBMUJFWSA-N 2 1 310.402 -1.069 20 0 DAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048997 779669436 /nfs/dbraw/zinc/66/94/36/779669436.db2.gz GNNDBMRHOSMKLX-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151048507 779669512 /nfs/dbraw/zinc/66/95/12/779669512.db2.gz BXBCBNNUDGAGDA-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151064688 779670425 /nfs/dbraw/zinc/67/04/25/779670425.db2.gz CZDPLANQOBDEEM-NSHDSACASA-N 2 1 306.432 -1.417 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122303 779671075 /nfs/dbraw/zinc/67/10/75/779671075.db2.gz QSCQUBBMDGAXQS-ZDUSSCGKSA-N 2 1 314.386 -1.079 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001151056374 779671350 /nfs/dbraw/zinc/67/13/50/779671350.db2.gz MJJNWZXMAKPKBT-LLVKDONJSA-N 2 1 306.432 -1.465 20 0 DAADMP Cn1c(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001151073105 779671382 /nfs/dbraw/zinc/67/13/82/779671382.db2.gz GBSZHHVPZYCOII-LLVKDONJSA-N 2 1 323.397 -1.759 20 0 DAADMP CN(CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001151056375 779671537 /nfs/dbraw/zinc/67/15/37/779671537.db2.gz MJJNWZXMAKPKBT-NSHDSACASA-N 2 1 306.432 -1.465 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151739833 779683690 /nfs/dbraw/zinc/68/36/90/779683690.db2.gz OAYANNVNAATCOL-LBPRGKRZSA-N 2 1 313.402 -1.562 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151739833 779683694 /nfs/dbraw/zinc/68/36/94/779683694.db2.gz OAYANNVNAATCOL-LBPRGKRZSA-N 2 1 313.402 -1.562 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001151739019 779683806 /nfs/dbraw/zinc/68/38/06/779683806.db2.gz KKPRRNRTJCABMY-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001151739019 779683808 /nfs/dbraw/zinc/68/38/08/779683808.db2.gz KKPRRNRTJCABMY-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)C1 ZINC001151749505 779683857 /nfs/dbraw/zinc/68/38/57/779683857.db2.gz ZXEPPTIFRVQWMT-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)C)C1 ZINC001151749505 779683860 /nfs/dbraw/zinc/68/38/60/779683860.db2.gz ZXEPPTIFRVQWMT-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151739766 779684471 /nfs/dbraw/zinc/68/44/71/779684471.db2.gz NEYYVVMDTRGSQH-WDEREUQCSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151739766 779684474 /nfs/dbraw/zinc/68/44/74/779684474.db2.gz NEYYVVMDTRGSQH-WDEREUQCSA-N 2 1 312.370 -1.782 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151749311 779684493 /nfs/dbraw/zinc/68/44/93/779684493.db2.gz UURBPSGBYCSMRK-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151749311 779684497 /nfs/dbraw/zinc/68/44/97/779684497.db2.gz UURBPSGBYCSMRK-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151749310 779684520 /nfs/dbraw/zinc/68/45/20/779684520.db2.gz UURBPSGBYCSMRK-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001151749310 779684526 /nfs/dbraw/zinc/68/45/26/779684526.db2.gz UURBPSGBYCSMRK-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152439408 779693290 /nfs/dbraw/zinc/69/32/90/779693290.db2.gz KSSCHPZXRAWBAY-UHFFFAOYSA-N 2 1 313.402 -2.009 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155813031 779736056 /nfs/dbraw/zinc/73/60/56/779736056.db2.gz QVLCGVXAQQFQGH-LLVKDONJSA-N 2 1 311.386 -1.272 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001156124999 779738676 /nfs/dbraw/zinc/73/86/76/779738676.db2.gz DRUJROXELNSTAS-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001156124999 779738678 /nfs/dbraw/zinc/73/86/78/779738678.db2.gz DRUJROXELNSTAS-ZDUSSCGKSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001156126361 779738735 /nfs/dbraw/zinc/73/87/35/779738735.db2.gz XALVROWWFYTQSP-SECBINFHSA-N 2 1 301.347 -2.392 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001156126361 779738737 /nfs/dbraw/zinc/73/87/37/779738737.db2.gz XALVROWWFYTQSP-SECBINFHSA-N 2 1 301.347 -2.392 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125551 779738946 /nfs/dbraw/zinc/73/89/46/779738946.db2.gz OCXHDTSYWRUHEY-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125551 779738952 /nfs/dbraw/zinc/73/89/52/779738952.db2.gz OCXHDTSYWRUHEY-VHSXEESVSA-N 2 1 315.374 -2.004 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001156126340 779738978 /nfs/dbraw/zinc/73/89/78/779738978.db2.gz WCCQTJPWMRCKAD-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001156126340 779738987 /nfs/dbraw/zinc/73/89/87/779738987.db2.gz WCCQTJPWMRCKAD-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890570 779746053 /nfs/dbraw/zinc/74/60/53/779746053.db2.gz PCKWVNHXDLGIGM-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890570 779746058 /nfs/dbraw/zinc/74/60/58/779746058.db2.gz PCKWVNHXDLGIGM-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890570 779746060 /nfs/dbraw/zinc/74/60/60/779746060.db2.gz PCKWVNHXDLGIGM-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CC[NH+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890570 779746064 /nfs/dbraw/zinc/74/60/64/779746064.db2.gz PCKWVNHXDLGIGM-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CSCC[NH3+] ZINC001157337899 779751955 /nfs/dbraw/zinc/75/19/55/779751955.db2.gz YLTRBOSQNNJNBJ-UWVGGRQHSA-N 2 1 305.448 -1.635 20 0 DAADMP Cc1cc(N(C(N)=[NH2+])C(=O)CN(CC[NH3+])S(C)(=O)=O)n[nH]1 ZINC001157440389 779754016 /nfs/dbraw/zinc/75/40/16/779754016.db2.gz VEEVWNVEQNYNQT-UHFFFAOYSA-N 2 1 317.375 -1.835 20 0 DAADMP CS(=O)(=O)c1nc2c(c(-n3nnnc3C[NH3+])n1)CC[NH2+]CC2 ZINC001158074330 779765788 /nfs/dbraw/zinc/76/57/88/779765788.db2.gz ACBOEFMXULQJPY-UHFFFAOYSA-N 2 1 324.370 -1.997 20 0 DAADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093515 779766025 /nfs/dbraw/zinc/76/60/25/779766025.db2.gz WOWUSGYDWJWUOF-BLLLJJGKSA-N 2 1 321.425 -1.449 20 0 DAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111501 779768220 /nfs/dbraw/zinc/76/82/20/779768220.db2.gz ONUQVUBQIWAHHH-XHDPSFHLSA-N 2 1 318.381 -1.782 20 0 DAADMP C[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)COCC[NH2+]1 ZINC001158118907 779768706 /nfs/dbraw/zinc/76/87/06/779768706.db2.gz DSMRHTDSPXLAPA-ZFWWWQNUSA-N 2 1 308.382 -1.697 20 0 DAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111494 779768801 /nfs/dbraw/zinc/76/88/01/779768801.db2.gz ONUQVUBQIWAHHH-ABAIWWIYSA-N 2 1 318.381 -1.782 20 0 DAADMP CC1(C)C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CO1 ZINC001158121606 779769662 /nfs/dbraw/zinc/76/96/62/779769662.db2.gz VBFQUFCSVLOFBE-ZBEGNZNMSA-N 2 1 322.409 -1.309 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179121 779771301 /nfs/dbraw/zinc/77/13/01/779771301.db2.gz IOMTTZWYMOHUTM-MRVWCRGKSA-N 2 1 311.430 -1.816 20 0 DAADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158338863 779773516 /nfs/dbraw/zinc/77/35/16/779773516.db2.gz FXEQZSPNJOIXEH-CYBMUJFWSA-N 2 1 305.382 -1.024 20 0 DAADMP O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505317 779777091 /nfs/dbraw/zinc/77/70/91/779777091.db2.gz ARWSOPSRHDPLSG-ZIAGYGMSSA-N 2 1 315.414 -1.046 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001158891180 779781664 /nfs/dbraw/zinc/78/16/64/779781664.db2.gz VOJQSFPCLQAEBX-MRXNPFEDSA-N 2 1 323.441 -1.120 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001158891193 779781708 /nfs/dbraw/zinc/78/17/08/779781708.db2.gz WBPRDNVXQOQQJD-LBPRGKRZSA-N 2 1 311.430 -1.135 20 0 DAADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158891193 779781712 /nfs/dbraw/zinc/78/17/12/779781712.db2.gz WBPRDNVXQOQQJD-LBPRGKRZSA-N 3 1 311.430 -1.135 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158891193 779781719 /nfs/dbraw/zinc/78/17/19/779781719.db2.gz WBPRDNVXQOQQJD-LBPRGKRZSA-N 3 1 311.430 -1.135 20 0 DAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821546 779781834 /nfs/dbraw/zinc/78/18/34/779781834.db2.gz MQTMEYJJIYLKME-NSHDSACASA-N 2 1 323.401 -1.871 20 0 DAADMP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160585450 779811164 /nfs/dbraw/zinc/81/11/64/779811164.db2.gz LIOLAVZJBKQWJL-NSHDSACASA-N 2 1 306.432 -1.759 20 0 DAADMP NS(=O)(=O)c1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nn1 ZINC001160517069 779811283 /nfs/dbraw/zinc/81/12/83/779811283.db2.gz ARNIQLZARXJNPU-LBPRGKRZSA-N 2 1 312.399 -1.041 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1 ZINC001160652522 779815297 /nfs/dbraw/zinc/81/52/97/779815297.db2.gz FJKDQZHBUNZOAX-JHJVBQTASA-N 3 1 312.414 -1.640 20 0 DAADMP CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1 ZINC001160652522 779815300 /nfs/dbraw/zinc/81/53/00/779815300.db2.gz FJKDQZHBUNZOAX-JHJVBQTASA-N 2 1 312.414 -1.640 20 0 DAADMP C[N@@H+]1C[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]2C1 ZINC001160704932 779817390 /nfs/dbraw/zinc/81/73/90/779817390.db2.gz RDQHKDFMTDCKQU-PHIMTYICSA-N 2 1 304.416 -1.773 20 0 DAADMP CCOC(=O)[C@]12CN(C(=O)CNCCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812405 779819751 /nfs/dbraw/zinc/81/97/51/779819751.db2.gz PQWZUPJAGSCIKH-IUODEOHRSA-N 2 1 312.414 -1.074 20 0 DAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3([NH3+])COC3)C[C@H]1C2 ZINC001160794106 779820084 /nfs/dbraw/zinc/82/00/84/779820084.db2.gz LEGNSUIVDJSQGD-DEKYYXRVSA-N 2 1 309.366 -1.429 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851001 779821765 /nfs/dbraw/zinc/82/17/65/779821765.db2.gz LPVZEVLNPHAEHH-IJLUTSLNSA-N 2 1 300.403 -1.064 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851001 779821775 /nfs/dbraw/zinc/82/17/75/779821775.db2.gz LPVZEVLNPHAEHH-IJLUTSLNSA-N 2 1 300.403 -1.064 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971570 779823672 /nfs/dbraw/zinc/82/36/72/779823672.db2.gz JHZOQNDHDNKDDT-MNOVXSKESA-N 2 1 305.373 -1.068 20 0 DAADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001161049920 779824253 /nfs/dbraw/zinc/82/42/53/779824253.db2.gz JOGDTDALZQATJX-TUAOUCFPSA-N 2 1 300.403 -1.248 20 0 DAADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@H]2C1 ZINC001161175627 779831485 /nfs/dbraw/zinc/83/14/85/779831485.db2.gz MSZXKVKYEXUWDQ-RVMXOQNASA-N 2 1 312.414 -1.389 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C2)CC1 ZINC001161380354 779835399 /nfs/dbraw/zinc/83/53/99/779835399.db2.gz UXVRGGTVTPAKCQ-GXTWGEPZSA-N 3 1 321.425 -1.512 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C2)CC1 ZINC001161379918 779835605 /nfs/dbraw/zinc/83/56/05/779835605.db2.gz RUCQXDKCQHCTKL-RWMBFGLXSA-N 3 1 307.398 -1.015 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)CC1 ZINC001161377592 779835908 /nfs/dbraw/zinc/83/59/08/779835908.db2.gz IBYQPPNEFFKKKV-PMOUVXMZSA-N 3 1 307.442 -1.040 20 0 DAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C2)CC1 ZINC001161379916 779836018 /nfs/dbraw/zinc/83/60/18/779836018.db2.gz RUCQXDKCQHCTKL-FRRDWIJNSA-N 3 1 307.398 -1.015 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161499926 779840407 /nfs/dbraw/zinc/84/04/07/779840407.db2.gz NDNQLGNZOIXFNS-NHCYSSNCSA-N 2 1 314.386 -2.258 20 0 DAADMP CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+] ZINC001161491594 779841180 /nfs/dbraw/zinc/84/11/80/779841180.db2.gz FYUQGFAFIXRPSS-YNEHKIRRSA-N 3 1 312.414 -1.376 20 0 DAADMP CO[C@@H]1CN(C(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+] ZINC001161491594 779841189 /nfs/dbraw/zinc/84/11/89/779841189.db2.gz FYUQGFAFIXRPSS-YNEHKIRRSA-N 2 1 312.414 -1.376 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2NCN[C@H]21 ZINC001162438440 779856092 /nfs/dbraw/zinc/85/60/92/779856092.db2.gz YSYBXIJRHIFHSA-YNEHKIRRSA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2NCN[C@@H]21 ZINC001162441485 779857024 /nfs/dbraw/zinc/85/70/24/779857024.db2.gz YGKZJTAWKITPJR-JHJVBQTASA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2NCN[C@H]21 ZINC001162441490 779857408 /nfs/dbraw/zinc/85/74/08/779857408.db2.gz YGKZJTAWKITPJR-YNEHKIRRSA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162445573 779858911 /nfs/dbraw/zinc/85/89/11/779858911.db2.gz FNITYTCOPIZDJB-MGPQQGTHSA-N 2 1 320.401 -1.896 20 0 DAADMP [NH3+]C1CCN(c2ccnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2)CC1 ZINC001162447129 779859701 /nfs/dbraw/zinc/85/97/01/779859701.db2.gz LOQCHZHRZXPVGF-FRRDWIJNSA-N 2 1 319.417 -2.099 20 0 DAADMP [NH3+]C1CCN(c2ccnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2)CC1 ZINC001162447130 779860824 /nfs/dbraw/zinc/86/08/24/779860824.db2.gz LOQCHZHRZXPVGF-RWMBFGLXSA-N 2 1 319.417 -2.099 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001162611473 779861969 /nfs/dbraw/zinc/86/19/69/779861969.db2.gz JWIODDGQZQXNFC-UHFFFAOYSA-N 2 1 322.369 -1.161 20 0 DAADMP NC(=O)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)CC[NH2+]1 ZINC001166724332 779892308 /nfs/dbraw/zinc/89/23/08/779892308.db2.gz OQBAWVCWLSUBDV-NSHDSACASA-N 2 1 306.370 -1.129 20 0 DAADMP NC(=O)[C@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)CC[NH2+]1 ZINC001166726014 779892996 /nfs/dbraw/zinc/89/29/96/779892996.db2.gz ULMBUELSEQIKTH-LLVKDONJSA-N 2 1 305.386 -1.332 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207683987 779923143 /nfs/dbraw/zinc/92/31/43/779923143.db2.gz JCDPMRNJWCNATF-MNOVXSKESA-N 2 1 311.386 -1.144 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298691 779961991 /nfs/dbraw/zinc/96/19/91/779961991.db2.gz RGCWLKMWHDHNLY-IJLUTSLNSA-N 2 1 300.403 -1.125 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298691 779961997 /nfs/dbraw/zinc/96/19/97/779961997.db2.gz RGCWLKMWHDHNLY-IJLUTSLNSA-N 2 1 300.403 -1.125 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211369179 779970241 /nfs/dbraw/zinc/97/02/41/779970241.db2.gz DITVTUOVAUZSJW-GHMZBOCLSA-N 2 1 313.402 -1.042 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211369179 779970248 /nfs/dbraw/zinc/97/02/48/779970248.db2.gz DITVTUOVAUZSJW-GHMZBOCLSA-N 2 1 313.402 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211369179 779970255 /nfs/dbraw/zinc/97/02/55/779970255.db2.gz DITVTUOVAUZSJW-GHMZBOCLSA-N 2 1 313.402 -1.042 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211369179 779970258 /nfs/dbraw/zinc/97/02/58/779970258.db2.gz DITVTUOVAUZSJW-GHMZBOCLSA-N 2 1 313.402 -1.042 20 0 DAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378267 779977444 /nfs/dbraw/zinc/97/74/44/779977444.db2.gz JKGFGWFAEDZLJW-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389445 779994182 /nfs/dbraw/zinc/99/41/82/779994182.db2.gz ZDBXNBYVODCCHE-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389445 779994186 /nfs/dbraw/zinc/99/41/86/779994186.db2.gz ZDBXNBYVODCCHE-UPJWGTAASA-N 2 1 312.414 -1.110 20 0 DAADMP O=c1cc(CO[C@@H]2CN3C[C@H]2[NH2+]CC3)nc2n1CCC[NH2+]C2 ZINC001217804910 780026444 /nfs/dbraw/zinc/02/64/44/780026444.db2.gz ZHXCVJSCOCGXFH-CHWSQXEVSA-N 2 1 305.382 -1.091 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]C[C@H]3O)cn2)CC1 ZINC001218579562 780034840 /nfs/dbraw/zinc/03/48/40/780034840.db2.gz FQDDUVLIZZVAPF-NWDGAFQWSA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@]3(N)CC[NH2+]C3)cn2)CC1 ZINC001218580806 780035321 /nfs/dbraw/zinc/03/53/21/780035321.db2.gz XGSJTJLURZUHQL-CQSZACIVSA-N 2 1 305.386 -1.142 20 0 DAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218601113 780035495 /nfs/dbraw/zinc/03/54/95/780035495.db2.gz XIMLIUIXOMKQEQ-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218601113 780035498 /nfs/dbraw/zinc/03/54/98/780035498.db2.gz XIMLIUIXOMKQEQ-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001219676724 780131992 /nfs/dbraw/zinc/13/19/92/780131992.db2.gz UTRLQTZCIVEVJW-QWRGUYRKSA-N 2 1 320.415 -2.692 20 0 DAADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678171 780132108 /nfs/dbraw/zinc/13/21/08/780132108.db2.gz GBZFMGBQYAKGDZ-VXGBXAGGSA-N 2 1 318.443 -1.145 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H](F)C1 ZINC001219676374 780132151 /nfs/dbraw/zinc/13/21/51/780132151.db2.gz HZSZRDQRBYPXLG-WDEREUQCSA-N 2 1 322.406 -1.715 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC001219676539 780132524 /nfs/dbraw/zinc/13/25/24/780132524.db2.gz OCARMGUZCCDUFT-YPMHNXCESA-N 2 1 316.427 -1.663 20 0 DAADMP O=C(C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678197 780132545 /nfs/dbraw/zinc/13/25/45/780132545.db2.gz GWOKOJIQUNYHOS-NSHDSACASA-N 2 1 320.415 -2.284 20 0 DAADMP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676917 780132706 /nfs/dbraw/zinc/13/27/06/780132706.db2.gz YXDGZRBGNSLSCO-NEPJUHHUSA-N 2 1 318.443 -1.274 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001219676722 780132998 /nfs/dbraw/zinc/13/29/98/780132998.db2.gz UTRLQTZCIVEVJW-GHMZBOCLSA-N 2 1 320.415 -2.692 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC001219676569 780133129 /nfs/dbraw/zinc/13/31/29/780133129.db2.gz PDUIGNOILVNAIU-UHFFFAOYSA-N 2 1 302.400 -1.910 20 0 DAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678635 780133637 /nfs/dbraw/zinc/13/36/37/780133637.db2.gz XNMJWJVFIBPUIL-NSHDSACASA-N 3 1 321.447 -2.206 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001219678563 780133648 /nfs/dbraw/zinc/13/36/48/780133648.db2.gz SVBFJDIBUMKARD-UHFFFAOYSA-N 2 1 304.416 -1.663 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCN1 ZINC001219678429 780134001 /nfs/dbraw/zinc/13/40/01/780134001.db2.gz NYJQGYLQSJMIHI-SNVBAGLBSA-N 2 1 305.404 -3.101 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001219678667 780134055 /nfs/dbraw/zinc/13/40/55/780134055.db2.gz ZAAXGIKXLKZKIL-NSHDSACASA-N 2 1 316.427 -1.520 20 0 DAADMP CC1(C)[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001219678555 780134624 /nfs/dbraw/zinc/13/46/24/780134624.db2.gz SOGQBGUCNWSNGL-QWRGUYRKSA-N 2 1 318.443 -1.289 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001219678542 780134637 /nfs/dbraw/zinc/13/46/37/780134637.db2.gz SDNNPXDHNQMXKG-ZJUUUORDSA-N 2 1 306.388 -2.940 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747648 780140524 /nfs/dbraw/zinc/14/05/24/780140524.db2.gz XRLSAXMORFLFHP-VIFPVBQESA-N 2 1 310.358 -1.332 20 0 DAADMP [NH3+][C@@H](C(=O)NCc1nnc2n1CCCNC2)C1CC[NH2+]CC1 ZINC001219748833 780142807 /nfs/dbraw/zinc/14/28/07/780142807.db2.gz DRFVZVPLGAIFGN-CYBMUJFWSA-N 2 1 307.402 -1.286 20 0 DAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219750269 780143205 /nfs/dbraw/zinc/14/32/05/780143205.db2.gz ZNRHFEQLIPQXSJ-VIFPVBQESA-N 2 1 313.431 -1.593 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219764685 780144229 /nfs/dbraw/zinc/14/42/29/780144229.db2.gz JWPRFAZJMKFEIV-FRRDWIJNSA-N 2 1 309.414 -2.273 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219764685 780144233 /nfs/dbraw/zinc/14/42/33/780144233.db2.gz JWPRFAZJMKFEIV-FRRDWIJNSA-N 2 1 309.414 -2.273 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219764964 780144304 /nfs/dbraw/zinc/14/43/04/780144304.db2.gz QPTDEQANKXUSNI-NTZNESFSSA-N 2 1 307.398 -2.126 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219764964 780144307 /nfs/dbraw/zinc/14/43/07/780144307.db2.gz QPTDEQANKXUSNI-NTZNESFSSA-N 2 1 307.398 -2.126 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771982 780145657 /nfs/dbraw/zinc/14/56/57/780145657.db2.gz VBRPHPZUFKJKAO-TZMCWYRMSA-N 2 1 301.410 -1.055 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771979 780146534 /nfs/dbraw/zinc/14/65/34/780146534.db2.gz VBRPHPZUFKJKAO-GXTWGEPZSA-N 2 1 301.410 -1.055 20 0 DAADMP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766536 780146694 /nfs/dbraw/zinc/14/66/94/780146694.db2.gz VWPKCGSLVYJODE-ZOBORPQBSA-N 2 1 310.398 -1.453 20 0 DAADMP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766536 780146698 /nfs/dbraw/zinc/14/66/98/780146698.db2.gz VWPKCGSLVYJODE-ZOBORPQBSA-N 2 1 310.398 -1.453 20 0 DAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771981 780147087 /nfs/dbraw/zinc/14/70/87/780147087.db2.gz VBRPHPZUFKJKAO-OCCSQVGLSA-N 2 1 301.410 -1.055 20 0 DAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219802807 780147839 /nfs/dbraw/zinc/14/78/39/780147839.db2.gz CSGMGKGTMPIAHB-LLVKDONJSA-N 3 1 308.386 -1.581 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CC[C@@H]1O ZINC001219806428 780149729 /nfs/dbraw/zinc/14/97/29/780149729.db2.gz VYGJJLOTZBUDGD-RYUDHWBXSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001219806426 780149884 /nfs/dbraw/zinc/14/98/84/780149884.db2.gz VYGJJLOTZBUDGD-NEPJUHHUSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219808118 780150103 /nfs/dbraw/zinc/15/01/03/780150103.db2.gz UNDXLQDZVZXWHJ-MFKMUULPSA-N 2 1 307.354 -1.924 20 0 DAADMP CN1CC[NH2+]C[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807630 780150256 /nfs/dbraw/zinc/15/02/56/780150256.db2.gz JZCRPCIDWFSQFK-GFCCVEGCSA-N 2 1 320.397 -1.744 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CCCO1 ZINC001219806272 780150302 /nfs/dbraw/zinc/15/03/02/780150302.db2.gz PYCFQOVEZNYVGE-LBPRGKRZSA-N 2 1 321.381 -1.269 20 0 DAADMP [NH3+]CCCNCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836750 780154613 /nfs/dbraw/zinc/15/46/13/780154613.db2.gz DPZPMGDKMFZSIG-OCCSQVGLSA-N 2 1 300.403 -1.564 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001219875180 780159554 /nfs/dbraw/zinc/15/95/54/780159554.db2.gz RDGSAXKRDXQRSG-LPWJVIDDSA-N 2 1 303.403 -1.505 20 0 DAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001219875179 780159631 /nfs/dbraw/zinc/15/96/31/780159631.db2.gz RDGSAXKRDXQRSG-LOWDOPEQSA-N 2 1 303.403 -1.505 20 0 DAADMP COC(=O)C1(NC(=O)[C@H]2C[NH2+]Cc3ccnn32)CC[NH2+]CC1 ZINC001219998990 780169484 /nfs/dbraw/zinc/16/94/84/780169484.db2.gz HKJVWDGBILDFOW-LLVKDONJSA-N 2 1 307.354 -1.061 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980507 780169526 /nfs/dbraw/zinc/16/95/26/780169526.db2.gz JLFVRMJGLKUZPG-TUAOUCFPSA-N 2 1 300.403 -1.341 20 0 DAADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220071460 780174655 /nfs/dbraw/zinc/17/46/55/780174655.db2.gz DMLNTLBPEYTKMF-XVKPBYJWSA-N 2 1 322.369 -1.704 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230994 780192978 /nfs/dbraw/zinc/19/29/78/780192978.db2.gz WKXIHFHAROKKCD-XQQFMLRXSA-N 2 1 315.414 -1.503 20 0 DAADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220271579 780198716 /nfs/dbraw/zinc/19/87/16/780198716.db2.gz AYHUVYOSEZUNRL-KGLIPLIRSA-N 2 1 322.409 -1.002 20 0 DAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC1CC[NH+](CCF)CC1 ZINC001220436204 780214719 /nfs/dbraw/zinc/21/47/19/780214719.db2.gz SCUJKVZDGMJALY-UHFFFAOYSA-N 2 1 324.422 -1.243 20 0 DAADMP CN(CC[NH3+])CCNC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220515759 780221183 /nfs/dbraw/zinc/22/11/83/780221183.db2.gz JUFUJCGDQUSMPL-CYBMUJFWSA-N 3 1 313.446 -1.554 20 0 DAADMP CN(CC[NH3+])CCNC(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001220515759 780221184 /nfs/dbraw/zinc/22/11/84/780221184.db2.gz JUFUJCGDQUSMPL-CYBMUJFWSA-N 2 1 313.446 -1.554 20 0 DAADMP CCOC(=O)C1=C(NC(=O)c2nnn3c2C[NH2+]CC3)CC[NH2+]C1 ZINC001220525623 780223488 /nfs/dbraw/zinc/22/34/88/780223488.db2.gz MERJYLQCYNKABS-UHFFFAOYSA-N 2 1 320.353 -1.078 20 0 DAADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553590 780226808 /nfs/dbraw/zinc/22/68/08/780226808.db2.gz MBIBJAZXZNLHCZ-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553590 780226815 /nfs/dbraw/zinc/22/68/15/780226815.db2.gz MBIBJAZXZNLHCZ-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP [NH3+][C@H]1CCCCN(CC(=O)NCC[NH+]2CC3(COC3)C2)C1=O ZINC001220571005 780228900 /nfs/dbraw/zinc/22/89/00/780228900.db2.gz GKDWDDFKSXHBHI-LBPRGKRZSA-N 2 1 310.398 -1.225 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001220637819 780237675 /nfs/dbraw/zinc/23/76/75/780237675.db2.gz NMQDCFDDAWFCND-OLZOCXBDSA-N 2 1 301.387 -1.749 20 0 DAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001220637819 780237678 /nfs/dbraw/zinc/23/76/78/780237678.db2.gz NMQDCFDDAWFCND-OLZOCXBDSA-N 2 1 301.387 -1.749 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220688720 780239413 /nfs/dbraw/zinc/23/94/13/780239413.db2.gz OCPZIDNTAHVONB-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220688720 780239418 /nfs/dbraw/zinc/23/94/18/780239418.db2.gz OCPZIDNTAHVONB-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220688720 780239421 /nfs/dbraw/zinc/23/94/21/780239421.db2.gz OCPZIDNTAHVONB-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001220688924 780241008 /nfs/dbraw/zinc/24/10/08/780241008.db2.gz WEDSTUXYCPFDPI-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220688924 780241016 /nfs/dbraw/zinc/24/10/16/780241016.db2.gz WEDSTUXYCPFDPI-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220688924 780241023 /nfs/dbraw/zinc/24/10/23/780241023.db2.gz WEDSTUXYCPFDPI-UPJWGTAASA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001220826293 780250368 /nfs/dbraw/zinc/25/03/68/780250368.db2.gz WPFSGZLLVFLANV-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220826293 780250373 /nfs/dbraw/zinc/25/03/73/780250373.db2.gz WPFSGZLLVFLANV-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220826293 780250376 /nfs/dbraw/zinc/25/03/76/780250376.db2.gz WPFSGZLLVFLANV-MCIONIFRSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830633 780250647 /nfs/dbraw/zinc/25/06/47/780250647.db2.gz FMVXVNRKSSUAPV-UPJWGTAASA-N 2 1 314.430 -1.034 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830804 780251396 /nfs/dbraw/zinc/25/13/96/780251396.db2.gz JABPRTLAJUYBGF-UPJWGTAASA-N 2 1 312.414 -1.280 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220875256 780254691 /nfs/dbraw/zinc/25/46/91/780254691.db2.gz ZPOBMBSPUHHQKX-KBPBESRZSA-N 2 1 323.441 -1.392 20 0 DAADMP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872100 780254993 /nfs/dbraw/zinc/25/49/93/780254993.db2.gz KFWIHXVQFRBWQL-ZDUSSCGKSA-N 2 1 306.366 -1.190 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220872238 780255125 /nfs/dbraw/zinc/25/51/25/780255125.db2.gz PLMWMRWWWNJXTC-LLVKDONJSA-N 2 1 323.397 -2.350 20 0 DAADMP CO[C@H]([C@@H](C)C(=O)NCCN1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]1 ZINC001220874427 780255222 /nfs/dbraw/zinc/25/52/22/780255222.db2.gz JDAPYXHSKJHKJX-MBNYWOFBSA-N 2 1 312.414 -1.063 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220872094 780255485 /nfs/dbraw/zinc/25/54/85/780255485.db2.gz KCYJXNMPENTVNG-GFCCVEGCSA-N 3 1 309.414 -1.591 20 0 DAADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975996 780265245 /nfs/dbraw/zinc/26/52/45/780265245.db2.gz FAUHHCZARXUGDJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975996 780265248 /nfs/dbraw/zinc/26/52/48/780265248.db2.gz FAUHHCZARXUGDJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975996 780265251 /nfs/dbraw/zinc/26/52/51/780265251.db2.gz FAUHHCZARXUGDJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975996 780265254 /nfs/dbraw/zinc/26/52/54/780265254.db2.gz FAUHHCZARXUGDJ-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001221190195 780284386 /nfs/dbraw/zinc/28/43/86/780284386.db2.gz FFNNZHSDUJBAGC-NEPJUHHUSA-N 2 1 315.418 -1.867 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@@H]2NCN[C@@H]21 ZINC001221265402 780287948 /nfs/dbraw/zinc/28/79/48/780287948.db2.gz LJWJOXCVINTOLA-PFFFPCNUSA-N 2 1 324.429 -1.946 20 0 DAADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001221267020 780288074 /nfs/dbraw/zinc/28/80/74/780288074.db2.gz ZNKSNPUOLTVVGN-LVEVGFFFSA-N 2 1 312.418 -1.949 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@@H]2NCN[C@@H]21 ZINC001221266475 780288745 /nfs/dbraw/zinc/28/87/45/780288745.db2.gz WHUBNWAJQSEKHM-KSTCHIGDSA-N 2 1 323.445 -2.421 20 0 DAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@H]2NCN[C@@H]21 ZINC001221266474 780288790 /nfs/dbraw/zinc/28/87/90/780288790.db2.gz WHUBNWAJQSEKHM-DHGKCCLASA-N 2 1 323.445 -2.421 20 0 DAADMP Cn1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC001222099538 780307396 /nfs/dbraw/zinc/30/73/96/780307396.db2.gz GZFPBMNOIKPBHP-UHFFFAOYSA-N 2 1 307.398 -1.389 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992640 780355025 /nfs/dbraw/zinc/35/50/25/780355025.db2.gz TWIIRLJPRVXNTK-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP NC(=O)NC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267798 780362731 /nfs/dbraw/zinc/36/27/31/780362731.db2.gz LUTOQPWQNKXSAG-UHFFFAOYSA-N 2 1 311.386 -1.142 20 0 DAADMP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001231368820 780380895 /nfs/dbraw/zinc/38/08/95/780380895.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 2 1 315.414 -1.141 20 0 DAADMP CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001277514962 780384078 /nfs/dbraw/zinc/38/40/78/780384078.db2.gz QBKUSCKFMNELQL-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001277514962 780384083 /nfs/dbraw/zinc/38/40/83/780384083.db2.gz QBKUSCKFMNELQL-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CNC(=O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001277514962 780384092 /nfs/dbraw/zinc/38/40/92/780384092.db2.gz QBKUSCKFMNELQL-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CNC(=O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001277514962 780384099 /nfs/dbraw/zinc/38/40/99/780384099.db2.gz QBKUSCKFMNELQL-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP C[NH+](C)CCN1CC2(C1)CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277631723 780386797 /nfs/dbraw/zinc/38/67/97/780386797.db2.gz MCCIVEIEZUKVMO-UHFFFAOYSA-N 2 1 309.458 -1.060 20 0 DAADMP COC(=O)[C@@H]([NH3+])C1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001239112069 780444133 /nfs/dbraw/zinc/44/41/33/780444133.db2.gz FWGBXHGQFCBJIJ-QWRGUYRKSA-N 2 1 305.400 -1.110 20 0 DAADMP COC(=O)[C@H]([NH3+])C1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001239112070 780444146 /nfs/dbraw/zinc/44/41/46/780444146.db2.gz FWGBXHGQFCBJIJ-WDEREUQCSA-N 2 1 305.400 -1.110 20 0 DAADMP OC[C@@H]1C[NH2+]C[C@@H]1NC(=S)NCCC[NH+]1CCOCC1 ZINC001239378500 780445358 /nfs/dbraw/zinc/44/53/58/780445358.db2.gz RIHWVHKVQMELQI-RYUDHWBXSA-N 2 1 302.444 -1.247 20 0 DAADMP COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039477 780447844 /nfs/dbraw/zinc/44/78/44/780447844.db2.gz MWWGFWOEGWJEHI-NWDGAFQWSA-N 2 1 301.387 -1.701 20 0 DAADMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039476 780448303 /nfs/dbraw/zinc/44/83/03/780448303.db2.gz MWWGFWOEGWJEHI-NEPJUHHUSA-N 2 1 301.387 -1.701 20 0 DAADMP COC(=O)[C@]1(N)CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056444 780449570 /nfs/dbraw/zinc/44/95/70/780449570.db2.gz VPGUEGDCPBYALS-RISCZKNCSA-N 2 1 301.387 -1.572 20 0 DAADMP O=S(=O)(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246101524 780450654 /nfs/dbraw/zinc/45/06/54/780450654.db2.gz QIFSAWDNOOCPHS-LBPRGKRZSA-N 3 1 317.459 -2.095 20 0 DAADMP O=C([C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246121000 780450822 /nfs/dbraw/zinc/45/08/22/780450822.db2.gz VCOZCBPHZVMCOE-OLZOCXBDSA-N 2 1 313.471 -1.255 20 0 DAADMP O=S(=O)(CC[NH2+][C@H]1CCC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246102911 780450882 /nfs/dbraw/zinc/45/08/82/780450882.db2.gz UETFLQRNKVYMQV-LBPRGKRZSA-N 3 1 302.444 -1.047 20 0 DAADMP O=C([C@@H]1C[C@@H](NCCC2(O)C[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246109217 780451120 /nfs/dbraw/zinc/45/11/20/780451120.db2.gz ADDPUFGHAMMBIA-MNOVXSKESA-N 2 1 300.428 -1.436 20 0 DAADMP O=S(=O)(CC[NH2+][C@H]1CSC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246102716 780451233 /nfs/dbraw/zinc/45/12/33/780451233.db2.gz SPSNJYMDPKFDOL-LLVKDONJSA-N 3 1 320.484 -1.342 20 0 DAADMP O=C([C@@H]1C[C@@H](NCC2(O)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246173328 780451371 /nfs/dbraw/zinc/45/13/71/780451371.db2.gz LGXHKJUPXJTHHQ-NEPJUHHUSA-N 2 1 314.455 -1.046 20 0 DAADMP CN(CC[NH3+])CC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284834 780452788 /nfs/dbraw/zinc/45/27/88/780452788.db2.gz PRMOXUSCNIHQIE-RYUDHWBXSA-N 2 1 301.460 -1.270 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](n2cncc2CCNC(=O)CC[NH3+])C[NH2+]1 ZINC001246322020 780454424 /nfs/dbraw/zinc/45/44/24/780454424.db2.gz GTGBFJMNRWCHEB-NEPJUHHUSA-N 2 1 309.370 -1.033 20 0 DAADMP O=C1NCC[C@@]12C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246631304 780455376 /nfs/dbraw/zinc/45/53/76/780455376.db2.gz WEWDYDVWKABRBI-BLLLJJGKSA-N 3 1 306.410 -1.081 20 0 DAADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628586 780455552 /nfs/dbraw/zinc/45/55/52/780455552.db2.gz ODJSSINIICMUKW-JRPNMDOOSA-N 2 1 308.382 -1.699 20 0 DAADMP O=C1NCC[C@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21C[NH2+]C1 ZINC001246630630 780455642 /nfs/dbraw/zinc/45/56/42/780455642.db2.gz UJRUKKUAHUBYPP-GYVWXKFASA-N 2 1 306.410 -1.083 20 0 DAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246627556 780455720 /nfs/dbraw/zinc/45/57/20/780455720.db2.gz NAVVWFIBKUZQIK-MQIPJXDCSA-N 2 1 322.409 -1.309 20 0 DAADMP O=C1NCC[C@]12C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1 ZINC001246631305 780455739 /nfs/dbraw/zinc/45/57/39/780455739.db2.gz WEWDYDVWKABRBI-LRDDRELGSA-N 3 1 306.410 -1.081 20 0 DAADMP CC[C@]1(C(=O)OC)C[C@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246624346 780455788 /nfs/dbraw/zinc/45/57/88/780455788.db2.gz UMUAKFIERCXDDL-NILFDRSVSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246670074 780456652 /nfs/dbraw/zinc/45/66/52/780456652.db2.gz WCUQXADBOZIBAL-YDHLFZDLSA-N 2 1 313.398 -1.029 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651988 780456803 /nfs/dbraw/zinc/45/68/03/780456803.db2.gz NMHNTJFCVPZCDR-HUBLWGQQSA-N 2 1 310.398 -1.166 20 0 DAADMP CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246727648 780457168 /nfs/dbraw/zinc/45/71/68/780457168.db2.gz CXFCYEJNIFTWOR-MJBXVCDLSA-N 2 1 323.441 -1.789 20 0 DAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651991 780457196 /nfs/dbraw/zinc/45/71/96/780457196.db2.gz NMHNTJFCVPZCDR-SLEUVZQESA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651994 780457217 /nfs/dbraw/zinc/45/72/17/780457217.db2.gz NMHNTJFCVPZCDR-YWPYICTPSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C1C[NH2+]CC[C@@H](N2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)C1 ZINC001247010232 780458411 /nfs/dbraw/zinc/45/84/11/780458411.db2.gz NOBARKGSEBRGKV-XEZLXBQYSA-N 2 1 315.395 -1.548 20 0 DAADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@H](O)CO)CC3)CC1 ZINC001252059695 780469215 /nfs/dbraw/zinc/46/92/15/780469215.db2.gz HVRZYALQXDBQJG-ZDUSSCGKSA-N 2 1 321.425 -1.018 20 0 DAADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C[C@H](O)CO)CC3)CC1 ZINC001252059695 780469219 /nfs/dbraw/zinc/46/92/19/780469219.db2.gz HVRZYALQXDBQJG-ZDUSSCGKSA-N 2 1 321.425 -1.018 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1 ZINC001278766327 780484187 /nfs/dbraw/zinc/48/41/87/780484187.db2.gz IVIGRIJZQJOTCY-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766327 780484190 /nfs/dbraw/zinc/48/41/90/780484190.db2.gz IVIGRIJZQJOTCY-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766327 780484195 /nfs/dbraw/zinc/48/41/95/780484195.db2.gz IVIGRIJZQJOTCY-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001261559021 780548218 /nfs/dbraw/zinc/54/82/18/780548218.db2.gz XWMQPIICFURCIT-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C ZINC001262262393 780569321 /nfs/dbraw/zinc/56/93/21/780569321.db2.gz NDKWJPUFQOXZDO-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001262262393 780569328 /nfs/dbraw/zinc/56/93/28/780569328.db2.gz NDKWJPUFQOXZDO-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001262262393 780569334 /nfs/dbraw/zinc/56/93/34/780569334.db2.gz NDKWJPUFQOXZDO-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001262262393 780569348 /nfs/dbraw/zinc/56/93/48/780569348.db2.gz NDKWJPUFQOXZDO-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262544793 780574186 /nfs/dbraw/zinc/57/41/86/780574186.db2.gz KPXBHLWEUVUVIB-ZIAGYGMSSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262544792 780574670 /nfs/dbraw/zinc/57/46/70/780574670.db2.gz KPXBHLWEUVUVIB-UONOGXRCSA-N 2 1 323.441 -1.249 20 0 DAADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262544790 780574703 /nfs/dbraw/zinc/57/47/03/780574703.db2.gz KPXBHLWEUVUVIB-KBPBESRZSA-N 2 1 323.441 -1.249 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001265570311 780604726 /nfs/dbraw/zinc/60/47/26/780604726.db2.gz YQNRFDXBACLQPI-UTUOFQBUSA-N 2 1 318.443 -1.276 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687169 780626057 /nfs/dbraw/zinc/62/60/57/780626057.db2.gz GXVUMGBNDDBWDY-GFCCVEGCSA-N 2 1 323.397 -1.119 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687169 780626062 /nfs/dbraw/zinc/62/60/62/780626062.db2.gz GXVUMGBNDDBWDY-GFCCVEGCSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687169 780626064 /nfs/dbraw/zinc/62/60/64/780626064.db2.gz GXVUMGBNDDBWDY-GFCCVEGCSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001279687169 780626067 /nfs/dbraw/zinc/62/60/67/780626067.db2.gz GXVUMGBNDDBWDY-GFCCVEGCSA-N 2 1 323.397 -1.119 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H](C)O)C1 ZINC001279911988 780630109 /nfs/dbraw/zinc/63/01/09/780630109.db2.gz PZLXXZKKMGUSLH-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H](C)O)C1 ZINC001279911988 780630115 /nfs/dbraw/zinc/63/01/15/780630115.db2.gz PZLXXZKKMGUSLH-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP C[N@H+](CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001283376841 780758806 /nfs/dbraw/zinc/75/88/06/780758806.db2.gz HTSVPRMSQGWAMJ-CYBMUJFWSA-N 2 1 312.414 -1.122 20 0 DAADMP C[N@@H+](CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001283376841 780758810 /nfs/dbraw/zinc/75/88/10/780758810.db2.gz HTSVPRMSQGWAMJ-CYBMUJFWSA-N 2 1 312.414 -1.122 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283790914 780776665 /nfs/dbraw/zinc/77/66/65/780776665.db2.gz BQHPHTQEGLGGHV-GHMZBOCLSA-N 2 1 322.431 -2.304 20 0 DAADMP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284877635 780843338 /nfs/dbraw/zinc/84/33/38/780843338.db2.gz HFJKDYNSQUWVOP-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171216909 781385131 /nfs/dbraw/zinc/38/51/31/781385131.db2.gz KXIXZVREXPSZGY-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001146718902 781420559 /nfs/dbraw/zinc/42/05/59/781420559.db2.gz KOOJTDFJFPWMBT-UHFFFAOYSA-N 2 1 308.448 -1.075 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001147211956 781434533 /nfs/dbraw/zinc/43/45/33/781434533.db2.gz KGMFIRPVPWBRCY-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001147211956 781434535 /nfs/dbraw/zinc/43/45/35/781434535.db2.gz KGMFIRPVPWBRCY-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147211956 781434541 /nfs/dbraw/zinc/43/45/41/781434541.db2.gz KGMFIRPVPWBRCY-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147211956 781434545 /nfs/dbraw/zinc/43/45/45/781434545.db2.gz KGMFIRPVPWBRCY-NSHDSACASA-N 2 1 323.397 -1.190 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147892059 781458744 /nfs/dbraw/zinc/45/87/44/781458744.db2.gz HKTCXEQCMSGBHW-GFCCVEGCSA-N 2 1 320.459 -1.027 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001147877209 781460353 /nfs/dbraw/zinc/46/03/53/781460353.db2.gz GSDAXPOGUXXQRI-ZDUSSCGKSA-N 2 1 312.414 -1.107 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147899983 781461778 /nfs/dbraw/zinc/46/17/78/781461778.db2.gz FTMFXFRYTCRGAL-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001148571129 781476188 /nfs/dbraw/zinc/47/61/88/781476188.db2.gz XEAVCSZXHRJNPO-UHFFFAOYSA-N 2 1 301.391 -1.120 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148638786 781476263 /nfs/dbraw/zinc/47/62/63/781476263.db2.gz RLNYPUBWSMMNLL-UHFFFAOYSA-N 2 1 313.402 -2.008 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523068 781499773 /nfs/dbraw/zinc/49/97/73/781499773.db2.gz ZNRVUMLERJCYGF-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523068 781499780 /nfs/dbraw/zinc/49/97/80/781499780.db2.gz ZNRVUMLERJCYGF-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523068 781499785 /nfs/dbraw/zinc/49/97/85/781499785.db2.gz ZNRVUMLERJCYGF-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523068 781499791 /nfs/dbraw/zinc/49/97/91/781499791.db2.gz ZNRVUMLERJCYGF-JHJVBQTASA-N 2 1 312.414 -1.253 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815323 781580881 /nfs/dbraw/zinc/58/08/81/781580881.db2.gz RBJPWGZUTSFTAB-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)C1 ZINC001094815323 781580894 /nfs/dbraw/zinc/58/08/94/781580894.db2.gz RBJPWGZUTSFTAB-CHWSQXEVSA-N 2 1 324.425 -1.278 20 0 DAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110744 781589316 /nfs/dbraw/zinc/58/93/16/781589316.db2.gz OJIVZDTXVVXDIY-DSSXTABUSA-N 2 1 316.398 -1.609 20 0 DAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110744 781589322 /nfs/dbraw/zinc/58/93/22/781589322.db2.gz OJIVZDTXVVXDIY-DSSXTABUSA-N 2 1 316.398 -1.609 20 0 DAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110745 781589955 /nfs/dbraw/zinc/58/99/55/781589955.db2.gz OJIVZDTXVVXDIY-JIQQANBZSA-N 2 1 316.398 -1.609 20 0 DAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110745 781589962 /nfs/dbraw/zinc/58/99/62/781589962.db2.gz OJIVZDTXVVXDIY-JIQQANBZSA-N 2 1 316.398 -1.609 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176063275 781613228 /nfs/dbraw/zinc/61/32/28/781613228.db2.gz APDBBKSOTXNDJS-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176146574 781613491 /nfs/dbraw/zinc/61/34/91/781613491.db2.gz DYUROGYUJGEJEH-UHFFFAOYSA-N 2 1 317.415 -1.163 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176063276 781613603 /nfs/dbraw/zinc/61/36/03/781613603.db2.gz APDBBKSOTXNDJS-WDEREUQCSA-N 2 1 313.402 -1.122 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071039 781613951 /nfs/dbraw/zinc/61/39/51/781613951.db2.gz BIIMRARBGYULEB-LLVKDONJSA-N 2 1 313.402 -1.120 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176146561 781614008 /nfs/dbraw/zinc/61/40/08/781614008.db2.gz DIHCROZYEARNFG-SECBINFHSA-N 2 1 310.358 -1.129 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001176627641 781620629 /nfs/dbraw/zinc/62/06/29/781620629.db2.gz LUFKHEVEUINHKP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001176627641 781620633 /nfs/dbraw/zinc/62/06/33/781620633.db2.gz LUFKHEVEUINHKP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176636661 781621767 /nfs/dbraw/zinc/62/17/67/781621767.db2.gz SGLDUXFTHMFEPL-JTQLQIEISA-N 2 1 315.374 -2.002 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176636661 781621775 /nfs/dbraw/zinc/62/17/75/781621775.db2.gz SGLDUXFTHMFEPL-JTQLQIEISA-N 2 1 315.374 -2.002 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181009160 781682608 /nfs/dbraw/zinc/68/26/08/781682608.db2.gz QLVNDFMHMDLKNR-TYNCELHUSA-N 2 1 312.414 -1.124 20 0 DAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181009160 781682610 /nfs/dbraw/zinc/68/26/10/781682610.db2.gz QLVNDFMHMDLKNR-TYNCELHUSA-N 2 1 312.414 -1.124 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652098 781690456 /nfs/dbraw/zinc/69/04/56/781690456.db2.gz ISYSTOZHXCAYHM-MNOVXSKESA-N 2 1 311.386 -1.273 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066747 781694218 /nfs/dbraw/zinc/69/42/18/781694218.db2.gz YIELYNLLKUUXCL-STQMWFEESA-N 2 1 303.403 -1.332 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151066574 781694492 /nfs/dbraw/zinc/69/44/92/781694492.db2.gz WMMINEKGYLWNDN-STQMWFEESA-N 2 1 312.414 -1.203 20 0 DAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066746 781694621 /nfs/dbraw/zinc/69/46/21/781694621.db2.gz YIELYNLLKUUXCL-QWHCGFSZSA-N 2 1 303.403 -1.332 20 0 DAADMP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001151064972 781694673 /nfs/dbraw/zinc/69/46/73/781694673.db2.gz GJVPUUIEOZFCPS-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001181822260 781695110 /nfs/dbraw/zinc/69/51/10/781695110.db2.gz QPMDMOIHPGYMMS-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001181822260 781695119 /nfs/dbraw/zinc/69/51/19/781695119.db2.gz QPMDMOIHPGYMMS-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185651100 781761899 /nfs/dbraw/zinc/76/18/99/781761899.db2.gz RTZOHWXWWWZRPZ-WDEREUQCSA-N 2 1 311.386 -1.144 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185659936 781764515 /nfs/dbraw/zinc/76/45/15/781764515.db2.gz UDVWYKSSTOVOCJ-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001186099639 781773264 /nfs/dbraw/zinc/77/32/64/781773264.db2.gz VXNNZLAHXHMFSC-VIFPVBQESA-N 2 1 307.372 -1.772 20 0 DAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001186099639 781773269 /nfs/dbraw/zinc/77/32/69/781773269.db2.gz VXNNZLAHXHMFSC-VIFPVBQESA-N 2 1 307.372 -1.772 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001186825060 781791590 /nfs/dbraw/zinc/79/15/90/781791590.db2.gz XKYBYNYZIFBSFS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203699836 781837457 /nfs/dbraw/zinc/83/74/57/781837457.db2.gz UTFBFJXCZPZYBK-SNVBAGLBSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+](C)Cc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001187302453 916152898 /nfs/dbraw/zinc/15/28/98/916152898.db2.gz QZKJKDNUBBIFPE-HZSPNIEDSA-N 2 1 304.398 -1.119 20 0 DAADMP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317662254 916345191 /nfs/dbraw/zinc/34/51/91/916345191.db2.gz XBWCHZHUGHYANG-NSHDSACASA-N 2 1 311.386 -1.462 20 0 DAADMP CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320920685 916533096 /nfs/dbraw/zinc/53/30/96/916533096.db2.gz HYWQPIWYPSGNKY-GFCCVEGCSA-N 2 1 320.459 -1.075 20 0 DAADMP CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320920715 916534351 /nfs/dbraw/zinc/53/43/51/916534351.db2.gz HYWQPIWYPSGNKY-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)C1 ZINC001321249148 916559582 /nfs/dbraw/zinc/55/95/82/916559582.db2.gz IZCCMVPMTZSFAP-VUDBWIFFSA-N 2 1 311.386 -1.215 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001321294470 916560446 /nfs/dbraw/zinc/56/04/46/916560446.db2.gz PAEHCYHXOJJYCW-AORQRIRUSA-N 2 1 310.398 -1.141 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442080 916636118 /nfs/dbraw/zinc/63/61/18/916636118.db2.gz IKSVGMKYEONHAS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322451994 916636703 /nfs/dbraw/zinc/63/67/03/916636703.db2.gz JGEPMUIJEPNFOU-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322451994 916636712 /nfs/dbraw/zinc/63/67/12/916636712.db2.gz JGEPMUIJEPNFOU-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001322512022 916639294 /nfs/dbraw/zinc/63/92/94/916639294.db2.gz PBWQLDVYCYULOU-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001324992759 916804271 /nfs/dbraw/zinc/80/42/71/916804271.db2.gz BJEJHWJNUGRDRX-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CCOCC2)C1 ZINC001324992759 916804283 /nfs/dbraw/zinc/80/42/83/916804283.db2.gz BJEJHWJNUGRDRX-ZDUSSCGKSA-N 2 1 315.414 -1.046 20 0 DAADMP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001325087119 916812867 /nfs/dbraw/zinc/81/28/67/916812867.db2.gz SLJQGPMHTOFDEA-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001325087119 916812886 /nfs/dbraw/zinc/81/28/86/916812886.db2.gz SLJQGPMHTOFDEA-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001325087119 916812904 /nfs/dbraw/zinc/81/29/04/916812904.db2.gz SLJQGPMHTOFDEA-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001325087119 916812922 /nfs/dbraw/zinc/81/29/22/916812922.db2.gz SLJQGPMHTOFDEA-ZFWWWQNUSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001325087117 916814104 /nfs/dbraw/zinc/81/41/04/916814104.db2.gz SLJQGPMHTOFDEA-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001325087117 916814124 /nfs/dbraw/zinc/81/41/24/916814124.db2.gz SLJQGPMHTOFDEA-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001325087117 916814139 /nfs/dbraw/zinc/81/41/39/916814139.db2.gz SLJQGPMHTOFDEA-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001325087117 916814156 /nfs/dbraw/zinc/81/41/56/916814156.db2.gz SLJQGPMHTOFDEA-HIFRSBDPSA-N 2 1 315.414 -1.094 20 0 DAADMP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326146371 916901600 /nfs/dbraw/zinc/90/16/00/916901600.db2.gz KSFFULHYJRKJSO-GFCCVEGCSA-N 2 1 300.403 -1.515 20 0 DAADMP C[NH+](C)CC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001326577259 916931693 /nfs/dbraw/zinc/93/16/93/916931693.db2.gz JONLDHJSLPZMHW-CHWSQXEVSA-N 2 1 313.446 -1.031 20 0 DAADMP C[NH+](C)CC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001326577263 916933187 /nfs/dbraw/zinc/93/31/87/916933187.db2.gz JONLDHJSLPZMHW-STQMWFEESA-N 2 1 313.446 -1.031 20 0 DAADMP [NH3+]CCOCC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC001326693291 916947467 /nfs/dbraw/zinc/94/74/67/916947467.db2.gz PXVBFKYKZQAOQA-UHFFFAOYSA-N 2 1 300.403 -1.562 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001326837780 916961501 /nfs/dbraw/zinc/96/15/01/916961501.db2.gz XQWVUHKTWNZFMU-NWDGAFQWSA-N 2 1 310.398 -1.526 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC001326877974 916964782 /nfs/dbraw/zinc/96/47/82/916964782.db2.gz XTRGWCUIMDVVMO-WUHRBBMRSA-N 2 1 310.398 -1.541 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001327015452 916980326 /nfs/dbraw/zinc/98/03/26/916980326.db2.gz BGEOYHYOMWZQJP-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC001327055841 916986297 /nfs/dbraw/zinc/98/62/97/916986297.db2.gz OHIPRLMNBHZZGP-ZDUSSCGKSA-N 2 1 313.446 -1.016 20 0 DAADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327708553 917036920 /nfs/dbraw/zinc/03/69/20/917036920.db2.gz YSOXHUJVEAGNCV-FVCCEPFGSA-N 2 1 310.398 -1.541 20 0 DAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001328369259 917082092 /nfs/dbraw/zinc/08/20/92/917082092.db2.gz CDLGXDAFCYEEGK-LBPRGKRZSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001328987335 917127020 /nfs/dbraw/zinc/12/70/20/917127020.db2.gz IYDWMEGXRJGJIA-LBPRGKRZSA-N 2 1 312.414 -1.061 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001328976088 917127964 /nfs/dbraw/zinc/12/79/64/917127964.db2.gz XOKWCCJNZPNSME-GFCCVEGCSA-N 2 1 315.418 -2.299 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001328987308 917128145 /nfs/dbraw/zinc/12/81/45/917128145.db2.gz IYDWMEGXRJGJIA-GFCCVEGCSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001329163364 917148561 /nfs/dbraw/zinc/14/85/61/917148561.db2.gz SAAUQKQIJGYQCU-CYBMUJFWSA-N 2 1 313.446 -1.112 20 0 DAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC001329925877 917212629 /nfs/dbraw/zinc/21/26/29/917212629.db2.gz OXVRBDUXXOKQTM-NSHDSACASA-N 2 1 323.401 -1.446 20 0 DAADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329948677 917215282 /nfs/dbraw/zinc/21/52/82/917215282.db2.gz DGORYRSDNOYNOE-QWHCGFSZSA-N 2 1 308.382 -1.700 20 0 DAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330025113 917223084 /nfs/dbraw/zinc/22/30/84/917223084.db2.gz WUNMOJNOOFUPIK-RYUDHWBXSA-N 2 1 310.398 -1.309 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001330527310 917253719 /nfs/dbraw/zinc/25/37/19/917253719.db2.gz YHCFMKRYIWBKAG-ZDUSSCGKSA-N 2 1 313.446 -1.146 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001331119785 917280211 /nfs/dbraw/zinc/28/02/11/917280211.db2.gz PVETZCLYLREKTH-YNEHKIRRSA-N 2 1 311.430 -1.266 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001331119783 917280451 /nfs/dbraw/zinc/28/04/51/917280451.db2.gz PVETZCLYLREKTH-JHJVBQTASA-N 2 1 311.430 -1.266 20 0 DAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331218452 917285390 /nfs/dbraw/zinc/28/53/90/917285390.db2.gz AJDLCOCHLUYYMQ-TXEJJXNPSA-N 2 1 312.414 -1.245 20 0 DAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331586221 917300235 /nfs/dbraw/zinc/30/02/35/917300235.db2.gz WJDULHGASWJBJN-UHFFFAOYSA-N 2 1 309.370 -1.068 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001332250698 917360931 /nfs/dbraw/zinc/36/09/31/917360931.db2.gz NOVNHFWFUNQRGD-RDBSUJKOSA-N 2 1 323.441 -1.299 20 0 DAADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332415523 917370044 /nfs/dbraw/zinc/37/00/44/917370044.db2.gz DDIRYEMKIVEOGW-RWMBFGLXSA-N 2 1 310.398 -1.539 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001333180226 917427667 /nfs/dbraw/zinc/42/76/67/917427667.db2.gz ZUMNLYSTUHXQBQ-STQMWFEESA-N 2 1 313.446 -1.160 20 0 DAADMP CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001333207716 917427902 /nfs/dbraw/zinc/42/79/02/917427902.db2.gz XEQZSYDEXVWPFQ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1C ZINC001333897291 917465913 /nfs/dbraw/zinc/46/59/13/917465913.db2.gz HSMKFTJYXIIBDL-UWVGGRQHSA-N 2 1 306.370 -1.325 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333958044 917469105 /nfs/dbraw/zinc/46/91/05/917469105.db2.gz GHTUGYUOPGDUMU-HAQNSBGRSA-N 2 1 300.403 -1.076 20 0 DAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001334141352 917478227 /nfs/dbraw/zinc/47/82/27/917478227.db2.gz WPAUIOLLVIXDMS-UHFFFAOYSA-N 2 1 309.458 -1.062 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001335769811 917561576 /nfs/dbraw/zinc/56/15/76/917561576.db2.gz WMRYMBWDGBETJL-WBMJQRKESA-N 2 1 324.425 -1.101 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335751727 917561608 /nfs/dbraw/zinc/56/16/08/917561608.db2.gz RCFJOLZFWYEWIC-WUHRBBMRSA-N 2 1 309.414 -1.643 20 0 DAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001335801850 917562263 /nfs/dbraw/zinc/56/22/63/917562263.db2.gz MFKNYGFKCVVBDJ-CRWXNKLISA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001335769809 917563119 /nfs/dbraw/zinc/56/31/19/917563119.db2.gz WMRYMBWDGBETJL-LRDDRELGSA-N 2 1 324.425 -1.101 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337377936 917618093 /nfs/dbraw/zinc/61/80/93/917618093.db2.gz SHYYPXARHCQOHX-FRRDWIJNSA-N 2 1 309.414 -1.689 20 0 DAADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340155274 917730385 /nfs/dbraw/zinc/73/03/85/917730385.db2.gz OJVRAZPGVBSKBY-ZDUSSCGKSA-N 2 1 324.425 -1.013 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001340926939 917745537 /nfs/dbraw/zinc/74/55/37/917745537.db2.gz ATQGSGUKLSKQAB-ILXRZTDVSA-N 2 1 307.442 -1.119 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341685052 917764813 /nfs/dbraw/zinc/76/48/13/917764813.db2.gz RDNUXKGPCFIBFG-GFCCVEGCSA-N 2 1 300.403 -1.122 20 0 DAADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001345767302 917856092 /nfs/dbraw/zinc/85/60/92/917856092.db2.gz NBBNCLXNIGVTMZ-AWEZNQCLSA-N 2 1 314.430 -1.255 20 0 DAADMP [NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001345957984 917866068 /nfs/dbraw/zinc/86/60/68/917866068.db2.gz FYQIMKTUIUGKCO-QWHCGFSZSA-N 2 1 312.414 -1.101 20 0 DAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C ZINC001345911106 917866345 /nfs/dbraw/zinc/86/63/45/917866345.db2.gz IDBLTGFWDZPHMR-QWHCGFSZSA-N 2 1 311.430 -1.393 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC001347074618 917909570 /nfs/dbraw/zinc/90/95/70/917909570.db2.gz BMTBMWHDULNINT-STQMWFEESA-N 2 1 311.430 -1.536 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001347090660 917910031 /nfs/dbraw/zinc/91/00/31/917910031.db2.gz KJILKUDZEPZXAM-CYBMUJFWSA-N 2 1 313.446 -1.194 20 0 DAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131931 917928606 /nfs/dbraw/zinc/92/86/06/917928606.db2.gz MHLCWNSYOYMKIG-KBPBESRZSA-N 2 1 314.430 -1.568 20 0 DAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001350004874 918047201 /nfs/dbraw/zinc/04/72/01/918047201.db2.gz MEVBEJGUUBDNIS-OLZOCXBDSA-N 2 1 311.430 -1.312 20 0 DAADMP COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357345556 918278857 /nfs/dbraw/zinc/27/88/57/918278857.db2.gz ASWBRKZMFIUVHF-CYBMUJFWSA-N 2 1 312.414 -1.026 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357413006 918288617 /nfs/dbraw/zinc/28/86/17/918288617.db2.gz FOCMWYXQMKWACP-GFCCVEGCSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365816651 919240271 /nfs/dbraw/zinc/24/02/71/919240271.db2.gz KQUCPNHYIWSVFY-OUAUKWLOSA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365833511 919240918 /nfs/dbraw/zinc/24/09/18/919240918.db2.gz KQUCPNHYIWSVFY-GMTAPVOTSA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025813 919267890 /nfs/dbraw/zinc/26/78/90/919267890.db2.gz HHCYJMXNHXAHAS-QWRGUYRKSA-N 2 1 311.386 -1.240 20 0 DAADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366095472 919281837 /nfs/dbraw/zinc/28/18/37/919281837.db2.gz ZARRJSQVYOIHSW-OUAUKWLOSA-N 2 1 311.386 -1.146 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)NC(N)=O ZINC001366129911 919286737 /nfs/dbraw/zinc/28/67/37/919286737.db2.gz ZHEFVWICAZJXID-GWOFURMSSA-N 2 1 311.386 -1.099 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366339140 919312397 /nfs/dbraw/zinc/31/23/97/919312397.db2.gz BZDGEORLTAADNR-QWRGUYRKSA-N 2 1 313.402 -1.122 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001366397053 919323731 /nfs/dbraw/zinc/32/37/31/919323731.db2.gz GOQLGTWXRXFYEW-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001366397053 919323741 /nfs/dbraw/zinc/32/37/41/919323741.db2.gz GOQLGTWXRXFYEW-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001366397047 919325145 /nfs/dbraw/zinc/32/51/45/919325145.db2.gz GOQLGTWXRXFYEW-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001366397047 919325158 /nfs/dbraw/zinc/32/51/58/919325158.db2.gz GOQLGTWXRXFYEW-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366697302 919366954 /nfs/dbraw/zinc/36/69/54/919366954.db2.gz BBDRTYXTCRCHNO-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+][C@H](C)C(N)=O ZINC001367276077 919448579 /nfs/dbraw/zinc/44/85/79/919448579.db2.gz DOOGVRMFBHWYOJ-NWDGAFQWSA-N 2 1 300.403 -1.076 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367584388 919496022 /nfs/dbraw/zinc/49/60/22/919496022.db2.gz RJXRWYLOYVSPCF-RKDXNWHRSA-N 2 1 301.347 -2.658 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594838 919509527 /nfs/dbraw/zinc/50/95/27/919509527.db2.gz SMKUZAQNIQYHKJ-OLZOCXBDSA-N 2 1 312.414 -1.184 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367609373 919526127 /nfs/dbraw/zinc/52/61/27/919526127.db2.gz RGVATNWVWQHZCK-XQQFMLRXSA-N 2 1 303.403 -1.455 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367628053 919540741 /nfs/dbraw/zinc/54/07/41/919540741.db2.gz WMNPFVRQZCUZNY-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629280 919545063 /nfs/dbraw/zinc/54/50/63/919545063.db2.gz ISYIOALXGKWAID-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001367629280 919545068 /nfs/dbraw/zinc/54/50/68/919545068.db2.gz ISYIOALXGKWAID-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001367666394 919551846 /nfs/dbraw/zinc/55/18/46/919551846.db2.gz QZUPNLQTRSBIMI-ZIAGYGMSSA-N 2 1 315.414 -1.188 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367686278 919555132 /nfs/dbraw/zinc/55/51/32/919555132.db2.gz NIJBVPKHVWTFEW-SECBINFHSA-N 2 1 310.358 -1.259 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367858779 919577262 /nfs/dbraw/zinc/57/72/62/919577262.db2.gz TYDKQJMXMRGZEK-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367858779 919577275 /nfs/dbraw/zinc/57/72/75/919577275.db2.gz TYDKQJMXMRGZEK-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367858782 919579874 /nfs/dbraw/zinc/57/98/74/919579874.db2.gz TYDKQJMXMRGZEK-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367858782 919579886 /nfs/dbraw/zinc/57/98/86/919579886.db2.gz TYDKQJMXMRGZEK-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368047855 919608206 /nfs/dbraw/zinc/60/82/06/919608206.db2.gz OUADRQVTHLCHKF-NWDGAFQWSA-N 2 1 310.398 -1.166 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001368047855 919608219 /nfs/dbraw/zinc/60/82/19/919608219.db2.gz OUADRQVTHLCHKF-NWDGAFQWSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368280639 919658197 /nfs/dbraw/zinc/65/81/97/919658197.db2.gz BLYSMQHMLAYBNA-OAHLLOKOSA-N 2 1 322.413 -1.073 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368361920 919700959 /nfs/dbraw/zinc/70/09/59/919700959.db2.gz CBACLCJKOJFKQF-UHFFFAOYSA-N 2 1 322.413 -1.153 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001368628890 919751921 /nfs/dbraw/zinc/75/19/21/919751921.db2.gz LIDTWSQQVJYZDS-CQSZACIVSA-N 2 1 309.370 -1.380 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368902612 919786467 /nfs/dbraw/zinc/78/64/67/919786467.db2.gz DRGOZSLPUHSMBS-IUCAKERBSA-N 2 1 310.358 -1.131 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368902601 919787113 /nfs/dbraw/zinc/78/71/13/919787113.db2.gz DRGOZSLPUHSMBS-BDAKNGLRSA-N 2 1 310.358 -1.131 20 0 DAADMP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001369350220 919891064 /nfs/dbraw/zinc/89/10/64/919891064.db2.gz TUCVLUWVYPENLU-VHSXEESVSA-N 2 1 300.359 -1.203 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369378121 919914005 /nfs/dbraw/zinc/91/40/05/919914005.db2.gz BALOWUWXSIGMDH-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001369380009 919915130 /nfs/dbraw/zinc/91/51/30/919915130.db2.gz GNOOAUCCHMRNEL-GFCCVEGCSA-N 2 1 310.402 -1.040 20 0 DAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001369472375 919950589 /nfs/dbraw/zinc/95/05/89/919950589.db2.gz QIGAMCGBURLQAH-GFCCVEGCSA-N 2 1 316.402 -2.136 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001369477223 919951389 /nfs/dbraw/zinc/95/13/89/919951389.db2.gz BBBJDDDWPTYLPB-OLZOCXBDSA-N 2 1 323.397 -1.169 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[NH+]1CCCC1 ZINC001369477328 919952237 /nfs/dbraw/zinc/95/22/37/919952237.db2.gz BNWZPDKXGXCCRU-CYBMUJFWSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369476593 919954736 /nfs/dbraw/zinc/95/47/36/919954736.db2.gz QSNIUAGKMZDMLJ-CHWSQXEVSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[NH+]1CCCC1 ZINC001369477333 919954902 /nfs/dbraw/zinc/95/49/02/919954902.db2.gz BNWZPDKXGXCCRU-ZDUSSCGKSA-N 2 1 310.402 -1.180 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001369482371 919959236 /nfs/dbraw/zinc/95/92/36/919959236.db2.gz JRGBIIZDIUPYJC-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369510674 919977142 /nfs/dbraw/zinc/97/71/42/919977142.db2.gz QQEAKYWZFCAIBH-ZDUSSCGKSA-N 2 1 314.430 -1.175 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369510674 919977151 /nfs/dbraw/zinc/97/71/51/919977151.db2.gz QQEAKYWZFCAIBH-ZDUSSCGKSA-N 2 1 314.430 -1.175 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001369510847 919978296 /nfs/dbraw/zinc/97/82/96/919978296.db2.gz BYCNEHWXPYOPCN-CYBMUJFWSA-N 2 1 317.430 -1.159 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515871 919982553 /nfs/dbraw/zinc/98/25/53/919982553.db2.gz OTVGADVDEHVANQ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369515871 919982558 /nfs/dbraw/zinc/98/25/58/919982558.db2.gz OTVGADVDEHVANQ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370357846 920053754 /nfs/dbraw/zinc/05/37/54/920053754.db2.gz QXEUMEKOPDEBOI-RWMBFGLXSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370357846 920053768 /nfs/dbraw/zinc/05/37/68/920053768.db2.gz QXEUMEKOPDEBOI-RWMBFGLXSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001370392232 920056201 /nfs/dbraw/zinc/05/62/01/920056201.db2.gz QADHPBKFZOOMAD-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001370565847 920069833 /nfs/dbraw/zinc/06/98/33/920069833.db2.gz SMAYWXBYCVQYKD-AAVRWANBSA-N 2 1 315.414 -1.049 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC)C2)C1 ZINC001370565847 920069852 /nfs/dbraw/zinc/06/98/52/920069852.db2.gz SMAYWXBYCVQYKD-AAVRWANBSA-N 2 1 315.414 -1.049 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370617249 920074437 /nfs/dbraw/zinc/07/44/37/920074437.db2.gz QYNRJKOLJWWDKD-RNJOBUHISA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370617249 920074453 /nfs/dbraw/zinc/07/44/53/920074453.db2.gz QYNRJKOLJWWDKD-RNJOBUHISA-N 2 1 301.387 -1.439 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370685985 920115036 /nfs/dbraw/zinc/11/50/36/920115036.db2.gz WWBWQJKOWBIADO-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370685985 920115047 /nfs/dbraw/zinc/11/50/47/920115047.db2.gz WWBWQJKOWBIADO-RYUDHWBXSA-N 2 1 316.402 -2.138 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001370707988 920132314 /nfs/dbraw/zinc/13/23/14/920132314.db2.gz PWENBCNZZWNBOJ-CYBMUJFWSA-N 2 1 323.397 -1.119 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370709692 920135880 /nfs/dbraw/zinc/13/58/80/920135880.db2.gz VKDKDNLULHUWPL-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001370753777 920157227 /nfs/dbraw/zinc/15/72/27/920157227.db2.gz LESQEBZCEFYKPO-QWHCGFSZSA-N 2 1 324.425 -1.373 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370751402 920158238 /nfs/dbraw/zinc/15/82/38/920158238.db2.gz IDSMDFSYFWIVJY-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478600 920267732 /nfs/dbraw/zinc/26/77/32/920267732.db2.gz UBXVQXXCAZAUHG-RYUDHWBXSA-N 2 1 321.443 -1.154 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001371478600 920267748 /nfs/dbraw/zinc/26/77/48/920267748.db2.gz UBXVQXXCAZAUHG-RYUDHWBXSA-N 2 1 321.443 -1.154 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001371545768 920287009 /nfs/dbraw/zinc/28/70/09/920287009.db2.gz NUFLBLKXNGVTIM-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CN(CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001372221096 920347325 /nfs/dbraw/zinc/34/73/25/920347325.db2.gz PDODFUAUUGYUHI-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001372221096 920347337 /nfs/dbraw/zinc/34/73/37/920347337.db2.gz PDODFUAUUGYUHI-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001372221096 920347353 /nfs/dbraw/zinc/34/73/53/920347353.db2.gz PDODFUAUUGYUHI-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP CN(CC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001372221096 920347365 /nfs/dbraw/zinc/34/73/65/920347365.db2.gz PDODFUAUUGYUHI-GFCCVEGCSA-N 2 1 320.459 -1.123 20 0 DAADMP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373221770 920465696 /nfs/dbraw/zinc/46/56/96/920465696.db2.gz FNKOYADYYGOZSJ-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](O)COC)C2)C1 ZINC001373557715 920523974 /nfs/dbraw/zinc/52/39/74/920523974.db2.gz JDBIBDYCUHYQTC-KBPBESRZSA-N 2 1 315.414 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](O)COC)C2)C1 ZINC001373557715 920523996 /nfs/dbraw/zinc/52/39/96/920523996.db2.gz JDBIBDYCUHYQTC-KBPBESRZSA-N 2 1 315.414 -1.238 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](O)COC)C2)C1 ZINC001373557717 920524330 /nfs/dbraw/zinc/52/43/30/920524330.db2.gz JDBIBDYCUHYQTC-UONOGXRCSA-N 2 1 315.414 -1.238 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](O)COC)C2)C1 ZINC001373557717 920524339 /nfs/dbraw/zinc/52/43/39/920524339.db2.gz JDBIBDYCUHYQTC-UONOGXRCSA-N 2 1 315.414 -1.238 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000316 920574937 /nfs/dbraw/zinc/57/49/37/920574937.db2.gz DAPOGFDWBMZEBU-NXEZZACHSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC(N)=O ZINC001374000316 920574950 /nfs/dbraw/zinc/57/49/50/920574950.db2.gz DAPOGFDWBMZEBU-NXEZZACHSA-N 2 1 315.374 -2.146 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005824 920577324 /nfs/dbraw/zinc/57/73/24/920577324.db2.gz NRXKSQFZAYPDGV-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005824 920577333 /nfs/dbraw/zinc/57/73/33/920577333.db2.gz NRXKSQFZAYPDGV-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005821 920577878 /nfs/dbraw/zinc/57/78/78/920577878.db2.gz NRXKSQFZAYPDGV-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)NC1CC1 ZINC001374005821 920577889 /nfs/dbraw/zinc/57/78/89/920577889.db2.gz NRXKSQFZAYPDGV-AAEUAGOBSA-N 2 1 312.414 -1.063 20 0 DAADMP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480627 920607945 /nfs/dbraw/zinc/60/79/45/920607945.db2.gz USTLQJCYLKKIGF-QWHCGFSZSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480627 920607958 /nfs/dbraw/zinc/60/79/58/920607958.db2.gz USTLQJCYLKKIGF-QWHCGFSZSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374480627 920607973 /nfs/dbraw/zinc/60/79/73/920607973.db2.gz USTLQJCYLKKIGF-QWHCGFSZSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374480627 920607982 /nfs/dbraw/zinc/60/79/82/920607982.db2.gz USTLQJCYLKKIGF-QWHCGFSZSA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480629 920609780 /nfs/dbraw/zinc/60/97/80/920609780.db2.gz USTLQJCYLKKIGF-STQMWFEESA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480629 920609789 /nfs/dbraw/zinc/60/97/89/920609789.db2.gz USTLQJCYLKKIGF-STQMWFEESA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374480629 920609802 /nfs/dbraw/zinc/60/98/02/920609802.db2.gz USTLQJCYLKKIGF-STQMWFEESA-N 2 1 303.403 -1.286 20 0 DAADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374480629 920609811 /nfs/dbraw/zinc/60/98/11/920609811.db2.gz USTLQJCYLKKIGF-STQMWFEESA-N 2 1 303.403 -1.286 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001374604201 920639021 /nfs/dbraw/zinc/63/90/21/920639021.db2.gz KAPUOQNJPOCSAR-KGYLQXTDSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001374604201 920639031 /nfs/dbraw/zinc/63/90/31/920639031.db2.gz KAPUOQNJPOCSAR-KGYLQXTDSA-N 2 1 310.402 -1.278 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374608659 920645474 /nfs/dbraw/zinc/64/54/74/920645474.db2.gz YYYOHHILCQTDGD-QWHCGFSZSA-N 2 1 322.413 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374608640 920645614 /nfs/dbraw/zinc/64/56/14/920645614.db2.gz YYYOHHILCQTDGD-CHWSQXEVSA-N 2 1 322.413 -1.276 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374674946 920687200 /nfs/dbraw/zinc/68/72/00/920687200.db2.gz SOAGWDVFCSRURD-VXGBXAGGSA-N 2 1 300.403 -1.327 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374674731 920688388 /nfs/dbraw/zinc/68/83/88/920688388.db2.gz YPFRGFGSIHOZHI-LBPRGKRZSA-N 2 1 322.413 -1.040 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374685548 920693311 /nfs/dbraw/zinc/69/33/11/920693311.db2.gz OVCLRQADXRRBBW-ZJUUUORDSA-N 2 1 317.390 -2.023 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001374686089 920694443 /nfs/dbraw/zinc/69/44/43/920694443.db2.gz SBPUFPRMWTWNLB-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001375522801 920783658 /nfs/dbraw/zinc/78/36/58/920783658.db2.gz SNBRFHFBVVGWJA-SNVBAGLBSA-N 2 1 311.386 -1.239 20 0 DAADMP CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001375594029 920786611 /nfs/dbraw/zinc/78/66/11/920786611.db2.gz BHVLVICIPWTECR-UHFFFAOYSA-N 2 1 324.385 -1.414 20 0 DAADMP COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376003283 920820388 /nfs/dbraw/zinc/82/03/88/920820388.db2.gz ITOYIXBKCFFSIV-OCCSQVGLSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376003283 920820401 /nfs/dbraw/zinc/82/04/01/920820401.db2.gz ITOYIXBKCFFSIV-OCCSQVGLSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376003283 920820406 /nfs/dbraw/zinc/82/04/06/920820406.db2.gz ITOYIXBKCFFSIV-OCCSQVGLSA-N 2 1 301.387 -1.484 20 0 DAADMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376003283 920820420 /nfs/dbraw/zinc/82/04/20/920820420.db2.gz ITOYIXBKCFFSIV-OCCSQVGLSA-N 2 1 301.387 -1.484 20 0 DAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040863 920834172 /nfs/dbraw/zinc/83/41/72/920834172.db2.gz VEKJOKAFBSBVAE-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376040863 920834184 /nfs/dbraw/zinc/83/41/84/920834184.db2.gz VEKJOKAFBSBVAE-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040863 920834201 /nfs/dbraw/zinc/83/42/01/920834201.db2.gz VEKJOKAFBSBVAE-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040863 920834204 /nfs/dbraw/zinc/83/42/04/920834204.db2.gz VEKJOKAFBSBVAE-WFASDCNBSA-N 2 1 312.414 -1.101 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376048101 920840388 /nfs/dbraw/zinc/84/03/88/920840388.db2.gz ITNSGDAQVIXEBZ-GUTXKFCHSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376048101 920840395 /nfs/dbraw/zinc/84/03/95/920840395.db2.gz ITNSGDAQVIXEBZ-GUTXKFCHSA-N 2 1 315.414 -1.359 20 0 DAADMP COC[C@@H](O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376048101 920840406 /nfs/dbraw/zinc/84/04/06/920840406.db2.gz ITNSGDAQVIXEBZ-GUTXKFCHSA-N 2 1 315.414 -1.359 20 0 DAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001376085018 920846183 /nfs/dbraw/zinc/84/61/83/920846183.db2.gz BKWQGBUJHUPQAE-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001376085018 920846199 /nfs/dbraw/zinc/84/61/99/920846199.db2.gz BKWQGBUJHUPQAE-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376085018 920846209 /nfs/dbraw/zinc/84/62/09/920846209.db2.gz BKWQGBUJHUPQAE-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376085018 920846221 /nfs/dbraw/zinc/84/62/21/920846221.db2.gz BKWQGBUJHUPQAE-IUODEOHRSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001376091371 920853186 /nfs/dbraw/zinc/85/31/86/920853186.db2.gz LUSHWVYYHQNYET-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001376091371 920853201 /nfs/dbraw/zinc/85/32/01/920853201.db2.gz LUSHWVYYHQNYET-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376091371 920853219 /nfs/dbraw/zinc/85/32/19/920853219.db2.gz LUSHWVYYHQNYET-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376091371 920853230 /nfs/dbraw/zinc/85/32/30/920853230.db2.gz LUSHWVYYHQNYET-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001376102216 920857960 /nfs/dbraw/zinc/85/79/60/920857960.db2.gz XWWWYLOGDWBFSX-HNNXBMFYSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001376102216 920857969 /nfs/dbraw/zinc/85/79/69/920857969.db2.gz XWWWYLOGDWBFSX-HNNXBMFYSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376102216 920857979 /nfs/dbraw/zinc/85/79/79/920857979.db2.gz XWWWYLOGDWBFSX-HNNXBMFYSA-N 2 1 314.430 -1.032 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376102216 920857996 /nfs/dbraw/zinc/85/79/96/920857996.db2.gz XWWWYLOGDWBFSX-HNNXBMFYSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155017 920876156 /nfs/dbraw/zinc/87/61/56/920876156.db2.gz SGVOLUIWQSGHHA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376155017 920876168 /nfs/dbraw/zinc/87/61/68/920876168.db2.gz SGVOLUIWQSGHHA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413042 920931532 /nfs/dbraw/zinc/93/15/32/920931532.db2.gz XEDODRDEDFYJDO-GRYCIOLGSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413042 920931540 /nfs/dbraw/zinc/93/15/40/920931540.db2.gz XEDODRDEDFYJDO-GRYCIOLGSA-N 2 1 323.397 -1.334 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376413042 920931550 /nfs/dbraw/zinc/93/15/50/920931550.db2.gz XEDODRDEDFYJDO-GRYCIOLGSA-N 2 1 323.397 -1.334 20 0 DAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001376629913 920996660 /nfs/dbraw/zinc/99/66/60/920996660.db2.gz LTXSSDIZLXUOSZ-RYUDHWBXSA-N 2 1 300.403 -1.245 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001376666479 921013002 /nfs/dbraw/zinc/01/30/02/921013002.db2.gz YPTUPSDCCKAZPX-CHWSQXEVSA-N 2 1 323.397 -1.039 20 0 DAADMP CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001376666479 921013017 /nfs/dbraw/zinc/01/30/17/921013017.db2.gz YPTUPSDCCKAZPX-CHWSQXEVSA-N 2 1 323.397 -1.039 20 0 DAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCS(C)(=O)=O ZINC001376818988 921034000 /nfs/dbraw/zinc/03/40/00/921034000.db2.gz GPDSCNQPRXONFG-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001377603965 921845705 /nfs/dbraw/zinc/84/57/05/921845705.db2.gz SVSMXWMKRUNNJU-JTQLQIEISA-N 2 1 301.391 -1.042 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001378090146 921913872 /nfs/dbraw/zinc/91/38/72/921913872.db2.gz TZPJRGXGNVELLE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C[C@@H](O)COC)C2)C1 ZINC001378090146 921913880 /nfs/dbraw/zinc/91/38/80/921913880.db2.gz TZPJRGXGNVELLE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C[C@@H](O)COC)C2)C1 ZINC001378090146 921913887 /nfs/dbraw/zinc/91/38/87/921913887.db2.gz TZPJRGXGNVELLE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001378090146 921913894 /nfs/dbraw/zinc/91/38/94/921913894.db2.gz TZPJRGXGNVELLE-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192207 921928024 /nfs/dbraw/zinc/92/80/24/921928024.db2.gz TURCTFYLOGSMPP-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001378192207 921928038 /nfs/dbraw/zinc/92/80/38/921928038.db2.gz TURCTFYLOGSMPP-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230690 921936096 /nfs/dbraw/zinc/93/60/96/921936096.db2.gz JAVHWVXCMRFWME-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001378230690 921936108 /nfs/dbraw/zinc/93/61/08/921936108.db2.gz JAVHWVXCMRFWME-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378748363 922002712 /nfs/dbraw/zinc/00/27/12/922002712.db2.gz CXSVAGVYCIUSKM-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379182007 922051431 /nfs/dbraw/zinc/05/14/31/922051431.db2.gz NSODIXHLSHLQSL-OLZOCXBDSA-N 2 1 311.386 -1.683 20 0 DAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379182007 922051448 /nfs/dbraw/zinc/05/14/48/922051448.db2.gz NSODIXHLSHLQSL-OLZOCXBDSA-N 2 1 311.386 -1.683 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379180281 922052389 /nfs/dbraw/zinc/05/23/89/922052389.db2.gz KXRQEWYHTJSNJF-NEPJUHHUSA-N 2 1 316.402 -2.090 20 0 DAADMP CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379180281 922052405 /nfs/dbraw/zinc/05/24/05/922052405.db2.gz KXRQEWYHTJSNJF-NEPJUHHUSA-N 2 1 316.402 -2.090 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001379206501 922071717 /nfs/dbraw/zinc/07/17/17/922071717.db2.gz ODECZFPZFBALPQ-CHWSQXEVSA-N 2 1 312.414 -1.184 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001379208860 922075619 /nfs/dbraw/zinc/07/56/19/922075619.db2.gz UAOISUYWBZMKIJ-CYBMUJFWSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)C1 ZINC001379245032 922092350 /nfs/dbraw/zinc/09/23/50/922092350.db2.gz QJGHKQMLYZXTRH-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001379239532 922093203 /nfs/dbraw/zinc/09/32/03/922093203.db2.gz WSTLARVQVKRYII-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001379242366 922093570 /nfs/dbraw/zinc/09/35/70/922093570.db2.gz PLNVSKGDDPWPLX-DGCLKSJQSA-N 2 1 312.418 -1.032 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)C1 ZINC001379245023 922095147 /nfs/dbraw/zinc/09/51/47/922095147.db2.gz QJGHKQMLYZXTRH-DGCLKSJQSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379293877 922119150 /nfs/dbraw/zinc/11/91/50/922119150.db2.gz PONOQUIAZBDMTG-WDEREUQCSA-N 2 1 313.406 -1.322 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379293877 922119157 /nfs/dbraw/zinc/11/91/57/922119157.db2.gz PONOQUIAZBDMTG-WDEREUQCSA-N 2 1 313.406 -1.322 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001379299979 922119189 /nfs/dbraw/zinc/11/91/89/922119189.db2.gz YRMXTYNPMYRGJE-SNVBAGLBSA-N 2 1 317.390 -2.151 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001379294783 922119249 /nfs/dbraw/zinc/11/92/49/922119249.db2.gz QTTHYDMNSRXEIJ-NEPJUHHUSA-N 2 1 316.402 -2.090 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001379294783 922119257 /nfs/dbraw/zinc/11/92/57/922119257.db2.gz QTTHYDMNSRXEIJ-NEPJUHHUSA-N 2 1 316.402 -2.090 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001379294787 922119462 /nfs/dbraw/zinc/11/94/62/922119462.db2.gz QTTHYDMNSRXEIJ-RYUDHWBXSA-N 2 1 316.402 -2.090 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001379294787 922119471 /nfs/dbraw/zinc/11/94/71/922119471.db2.gz QTTHYDMNSRXEIJ-RYUDHWBXSA-N 2 1 316.402 -2.090 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001379395442 922152330 /nfs/dbraw/zinc/15/23/30/922152330.db2.gz IUPSXTRLURHIIC-KXUCPTDWSA-N 2 1 315.374 -2.412 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001379410087 922162121 /nfs/dbraw/zinc/16/21/21/922162121.db2.gz KADCQCFNQSCIJG-DGCLKSJQSA-N 2 1 312.414 -1.184 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379468040 922187213 /nfs/dbraw/zinc/18/72/13/922187213.db2.gz FTVROSYALIYJAY-SRVKXCTJSA-N 2 1 300.403 -1.471 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001379470519 922187419 /nfs/dbraw/zinc/18/74/19/922187419.db2.gz XUBGCPOJDYJVNF-SNVBAGLBSA-N 2 1 301.391 -1.124 20 0 DAADMP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC1 ZINC001379499115 922203692 /nfs/dbraw/zinc/20/36/92/922203692.db2.gz WUQXRYLHLYHORK-CYBMUJFWSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001379504038 922206883 /nfs/dbraw/zinc/20/68/83/922206883.db2.gz RVONOXKMXYMFAS-NWDGAFQWSA-N 2 1 300.403 -1.374 20 0 DAADMP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379526714 922218130 /nfs/dbraw/zinc/21/81/30/922218130.db2.gz KNWKIPWQZZJSCW-RYUDHWBXSA-N 2 1 300.403 -1.471 20 0 DAADMP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379761694 922253124 /nfs/dbraw/zinc/25/31/24/922253124.db2.gz RWKJHOIZHVDWCT-CHWSQXEVSA-N 2 1 312.414 -1.232 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379829898 922277315 /nfs/dbraw/zinc/27/73/15/922277315.db2.gz XMLYIJZWFMPAQP-VXGBXAGGSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829898 922277331 /nfs/dbraw/zinc/27/73/31/922277331.db2.gz XMLYIJZWFMPAQP-VXGBXAGGSA-N 2 1 310.402 -1.182 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379974621 922307906 /nfs/dbraw/zinc/30/79/06/922307906.db2.gz RPQCRGXJCPLNMC-NWDGAFQWSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379974621 922307923 /nfs/dbraw/zinc/30/79/23/922307923.db2.gz RPQCRGXJCPLNMC-NWDGAFQWSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379974621 922307939 /nfs/dbraw/zinc/30/79/39/922307939.db2.gz RPQCRGXJCPLNMC-NWDGAFQWSA-N 2 1 300.403 -1.565 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379974621 922307955 /nfs/dbraw/zinc/30/79/55/922307955.db2.gz RPQCRGXJCPLNMC-NWDGAFQWSA-N 2 1 300.403 -1.565 20 0 DAADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972984 922308674 /nfs/dbraw/zinc/30/86/74/922308674.db2.gz ZGPSAUFJMQHIFP-NEPJUHHUSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379972984 922308687 /nfs/dbraw/zinc/30/86/87/922308687.db2.gz ZGPSAUFJMQHIFP-NEPJUHHUSA-N 2 1 314.430 -1.047 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O ZINC001379970096 922309683 /nfs/dbraw/zinc/30/96/83/922309683.db2.gz KTFFJNCDIMLJEP-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001379970096 922309695 /nfs/dbraw/zinc/30/96/95/922309695.db2.gz KTFFJNCDIMLJEP-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379970096 922309718 /nfs/dbraw/zinc/30/97/18/922309718.db2.gz KTFFJNCDIMLJEP-OLZOCXBDSA-N 2 1 314.430 -1.034 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001379971945 922309816 /nfs/dbraw/zinc/30/98/16/922309816.db2.gz YABUSOMIEKJCSH-GFCCVEGCSA-N 2 1 300.403 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001379971945 922309833 /nfs/dbraw/zinc/30/98/33/922309833.db2.gz YABUSOMIEKJCSH-GFCCVEGCSA-N 2 1 300.403 -1.435 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380566468 922391026 /nfs/dbraw/zinc/39/10/26/922391026.db2.gz PVYWQSQNHJIDRO-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)NC)C1 ZINC001380566468 922391043 /nfs/dbraw/zinc/39/10/43/922391043.db2.gz PVYWQSQNHJIDRO-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380566468 922391055 /nfs/dbraw/zinc/39/10/55/922391055.db2.gz PVYWQSQNHJIDRO-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380566468 922391066 /nfs/dbraw/zinc/39/10/66/922391066.db2.gz PVYWQSQNHJIDRO-CQSZACIVSA-N 2 1 300.403 -1.373 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001380568617 922392956 /nfs/dbraw/zinc/39/29/56/922392956.db2.gz VPPUJHZEMGQFHB-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001380568617 922392970 /nfs/dbraw/zinc/39/29/70/922392970.db2.gz VPPUJHZEMGQFHB-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380568617 922392984 /nfs/dbraw/zinc/39/29/84/922392984.db2.gz VPPUJHZEMGQFHB-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380568617 922393001 /nfs/dbraw/zinc/39/30/01/922393001.db2.gz VPPUJHZEMGQFHB-OAHLLOKOSA-N 2 1 314.430 -1.031 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001380560535 922393851 /nfs/dbraw/zinc/39/38/51/922393851.db2.gz WPPHKEWRFWLITP-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001380560535 922393866 /nfs/dbraw/zinc/39/38/66/922393866.db2.gz WPPHKEWRFWLITP-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001380560535 922393879 /nfs/dbraw/zinc/39/38/79/922393879.db2.gz WPPHKEWRFWLITP-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001380560535 922393892 /nfs/dbraw/zinc/39/38/92/922393892.db2.gz WPPHKEWRFWLITP-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001380761812 922451997 /nfs/dbraw/zinc/45/19/97/922451997.db2.gz HJYDXXOABVQYGQ-CHWSQXEVSA-N 2 1 312.414 -1.278 20 0 DAADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001381038359 922494033 /nfs/dbraw/zinc/49/40/33/922494033.db2.gz AABGENJFEYOZSY-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001381168122 922508012 /nfs/dbraw/zinc/50/80/12/922508012.db2.gz LYCWHGIOFSUXTR-GFCCVEGCSA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001381409958 922528248 /nfs/dbraw/zinc/52/82/48/922528248.db2.gz OURSFKCMGNRVIF-VHSXEESVSA-N 2 1 310.358 -1.131 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001382207590 922617044 /nfs/dbraw/zinc/61/70/44/922617044.db2.gz KOJGTTSVOAQDTB-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001382211081 922617168 /nfs/dbraw/zinc/61/71/68/922617168.db2.gz PEXRJZNFQPUZPS-NTZNESFSSA-N 2 1 310.402 -1.278 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC001382211081 922617188 /nfs/dbraw/zinc/61/71/88/922617188.db2.gz PEXRJZNFQPUZPS-NTZNESFSSA-N 2 1 310.402 -1.278 20 0 DAADMP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001382212199 922622196 /nfs/dbraw/zinc/62/21/96/922622196.db2.gz NQZOGHOQRCTGKN-AAEUAGOBSA-N 2 1 312.414 -1.055 20 0 DAADMP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001382212199 922622206 /nfs/dbraw/zinc/62/22/06/922622206.db2.gz NQZOGHOQRCTGKN-AAEUAGOBSA-N 2 1 312.414 -1.055 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216238 922625551 /nfs/dbraw/zinc/62/55/51/922625551.db2.gz RMTSXGSRSUKQJA-WDEREUQCSA-N 2 1 300.403 -1.328 20 0 DAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001382250891 922644079 /nfs/dbraw/zinc/64/40/79/922644079.db2.gz ONOVPGCWCKWTPE-NSHDSACASA-N 2 1 302.419 -1.223 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001382270239 922655332 /nfs/dbraw/zinc/65/53/32/922655332.db2.gz BOYVNUOQZVICPT-NWDGAFQWSA-N 2 1 309.370 -1.463 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001382273602 922659117 /nfs/dbraw/zinc/65/91/17/922659117.db2.gz LRAXJIDVQDJJJA-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001382276847 922661078 /nfs/dbraw/zinc/66/10/78/922661078.db2.gz YYUFGAPHEJOMLR-ZIAGYGMSSA-N 2 1 322.409 -1.096 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382381328 922708560 /nfs/dbraw/zinc/70/85/60/922708560.db2.gz IFDNQQPYFIYRCC-RYUDHWBXSA-N 2 1 316.402 -2.186 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382381328 922708568 /nfs/dbraw/zinc/70/85/68/922708568.db2.gz IFDNQQPYFIYRCC-RYUDHWBXSA-N 2 1 316.402 -2.186 20 0 DAADMP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001382403277 922726306 /nfs/dbraw/zinc/72/63/06/922726306.db2.gz AGQHLWNJIRZGJE-NWDGAFQWSA-N 2 1 311.386 -1.136 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382439922 922751486 /nfs/dbraw/zinc/75/14/86/922751486.db2.gz HGJRFWUTNSYNJE-OLZOCXBDSA-N 2 1 314.430 -1.128 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382438086 922752165 /nfs/dbraw/zinc/75/21/65/922752165.db2.gz DDCFSJNRWPFRHK-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382444905 922757940 /nfs/dbraw/zinc/75/79/40/922757940.db2.gz POGFGDJYENUZOE-WCQYABFASA-N 2 1 310.402 -1.324 20 0 DAADMP COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001382476416 922778062 /nfs/dbraw/zinc/77/80/62/922778062.db2.gz PLTIRWKKDKCALU-MGPQQGTHSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@H](O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382476416 922778082 /nfs/dbraw/zinc/77/80/82/922778082.db2.gz PLTIRWKKDKCALU-MGPQQGTHSA-N 2 1 317.430 -1.161 20 0 DAADMP COC[C@H](O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382476416 922778094 /nfs/dbraw/zinc/77/80/94/922778094.db2.gz PLTIRWKKDKCALU-MGPQQGTHSA-N 2 1 317.430 -1.161 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001382524488 922792892 /nfs/dbraw/zinc/79/28/92/922792892.db2.gz MNVLMLNCNAGQPF-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001382524488 922792905 /nfs/dbraw/zinc/79/29/05/922792905.db2.gz MNVLMLNCNAGQPF-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001382627080 922823231 /nfs/dbraw/zinc/82/32/31/922823231.db2.gz BVNIPTJPEZVENX-NWDGAFQWSA-N 2 1 323.397 -1.113 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001383901151 922966562 /nfs/dbraw/zinc/96/65/62/922966562.db2.gz YWXOGDHJGWTJPE-NEPJUHHUSA-N 2 1 300.403 -1.374 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001384832922 923131899 /nfs/dbraw/zinc/13/18/99/923131899.db2.gz SNBYWGNDMZLTEZ-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001387769734 923417159 /nfs/dbraw/zinc/41/71/59/923417159.db2.gz BOBHECJPXNEBMU-STQMWFEESA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001387769734 923417163 /nfs/dbraw/zinc/41/71/63/923417163.db2.gz BOBHECJPXNEBMU-STQMWFEESA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001387769731 923417957 /nfs/dbraw/zinc/41/79/57/923417957.db2.gz BOBHECJPXNEBMU-OLZOCXBDSA-N 2 1 312.414 -1.016 20 0 DAADMP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001387769731 923417969 /nfs/dbraw/zinc/41/79/69/923417969.db2.gz BOBHECJPXNEBMU-OLZOCXBDSA-N 2 1 312.414 -1.016 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001389095025 923548998 /nfs/dbraw/zinc/54/89/98/923548998.db2.gz ILJQNSUBLGZGPZ-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389095025 923549001 /nfs/dbraw/zinc/54/90/01/923549001.db2.gz ILJQNSUBLGZGPZ-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389095025 923549013 /nfs/dbraw/zinc/54/90/13/923549013.db2.gz ILJQNSUBLGZGPZ-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685676 923666088 /nfs/dbraw/zinc/66/60/88/923666088.db2.gz IYGGUXZPYLOZOH-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC)C2CC2)C1 ZINC001389685676 923666095 /nfs/dbraw/zinc/66/60/95/923666095.db2.gz IYGGUXZPYLOZOH-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001389781787 923680588 /nfs/dbraw/zinc/68/05/88/923680588.db2.gz QXEUMEKOPDEBOI-XQQFMLRXSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001389781787 923680598 /nfs/dbraw/zinc/68/05/98/923680598.db2.gz QXEUMEKOPDEBOI-XQQFMLRXSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001389883431 923693646 /nfs/dbraw/zinc/69/36/46/923693646.db2.gz LLQSMPUQHYNWSK-MGPQQGTHSA-N 2 1 315.414 -1.047 20 0 DAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001390048487 923712862 /nfs/dbraw/zinc/71/28/62/923712862.db2.gz RSLHLGUMTSRORK-CYBMUJFWSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001390048487 923712881 /nfs/dbraw/zinc/71/28/81/923712881.db2.gz RSLHLGUMTSRORK-CYBMUJFWSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001390048490 923713392 /nfs/dbraw/zinc/71/33/92/923713392.db2.gz RSLHLGUMTSRORK-ZDUSSCGKSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001390048490 923713405 /nfs/dbraw/zinc/71/34/05/923713405.db2.gz RSLHLGUMTSRORK-ZDUSSCGKSA-N 2 1 312.414 -1.062 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(=O)NC ZINC001390886861 923794072 /nfs/dbraw/zinc/79/40/72/923794072.db2.gz JRKTXHOSSRZPCS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(=O)NC ZINC001390886861 923794080 /nfs/dbraw/zinc/79/40/80/923794080.db2.gz JRKTXHOSSRZPCS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(=O)NC ZINC001390886861 923794088 /nfs/dbraw/zinc/79/40/88/923794088.db2.gz JRKTXHOSSRZPCS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(=O)NC ZINC001390886861 923794095 /nfs/dbraw/zinc/79/40/95/923794095.db2.gz JRKTXHOSSRZPCS-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(=O)NC ZINC001390886864 923795969 /nfs/dbraw/zinc/79/59/69/923795969.db2.gz JRKTXHOSSRZPCS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(=O)NC ZINC001390886864 923795974 /nfs/dbraw/zinc/79/59/74/923795974.db2.gz JRKTXHOSSRZPCS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC(=O)NC ZINC001390886864 923795984 /nfs/dbraw/zinc/79/59/84/923795984.db2.gz JRKTXHOSSRZPCS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(=O)NC ZINC001390886864 923795989 /nfs/dbraw/zinc/79/59/89/923795989.db2.gz JRKTXHOSSRZPCS-NSHDSACASA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391217893 923820079 /nfs/dbraw/zinc/82/00/79/923820079.db2.gz GKPUCTVUCWDAFW-GHMZBOCLSA-N 2 1 313.402 -1.170 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880273 923881507 /nfs/dbraw/zinc/88/15/07/923881507.db2.gz CKMUQJHJZTWTQX-NWDGAFQWSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(=O)N(C)C ZINC001391880273 923881513 /nfs/dbraw/zinc/88/15/13/923881513.db2.gz CKMUQJHJZTWTQX-NWDGAFQWSA-N 2 1 300.403 -1.253 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884140 923884352 /nfs/dbraw/zinc/88/43/52/923884352.db2.gz IWVAYIZIQAMARI-YPMHNXCESA-N 2 1 310.402 -1.012 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cn(C)nn1 ZINC001391884140 923884358 /nfs/dbraw/zinc/88/43/58/923884358.db2.gz IWVAYIZIQAMARI-YPMHNXCESA-N 2 1 310.402 -1.012 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392096277 923932270 /nfs/dbraw/zinc/93/22/70/923932270.db2.gz DBJDEQOBZVNRRW-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392096277 923932279 /nfs/dbraw/zinc/93/22/79/923932279.db2.gz DBJDEQOBZVNRRW-QWHCGFSZSA-N 2 1 323.397 -1.263 20 0 DAADMP CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392099934 923933482 /nfs/dbraw/zinc/93/34/82/923933482.db2.gz QYHQNFCFXYXZNX-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392100504 923933669 /nfs/dbraw/zinc/93/36/69/923933669.db2.gz NIBSPVHQXQJNKU-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392125876 923938430 /nfs/dbraw/zinc/93/84/30/923938430.db2.gz QVAXITGIRGGANE-MNOVXSKESA-N 2 1 313.402 -1.040 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392142382 923940992 /nfs/dbraw/zinc/94/09/92/923940992.db2.gz MRBLQOLANVFGIS-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392142382 923941010 /nfs/dbraw/zinc/94/10/10/923941010.db2.gz MRBLQOLANVFGIS-QWHCGFSZSA-N 2 1 323.397 -1.121 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392370788 923982880 /nfs/dbraw/zinc/98/28/80/923982880.db2.gz AICRSPRWXNAOSM-LLVKDONJSA-N 2 1 311.390 -1.739 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392370788 923982894 /nfs/dbraw/zinc/98/28/94/923982894.db2.gz AICRSPRWXNAOSM-LLVKDONJSA-N 2 1 311.390 -1.739 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392368410 923982942 /nfs/dbraw/zinc/98/29/42/923982942.db2.gz VFWRMUKFOBQSAS-RYUDHWBXSA-N 2 1 310.402 -1.041 20 0 DAADMP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392368410 923982951 /nfs/dbraw/zinc/98/29/51/923982951.db2.gz VFWRMUKFOBQSAS-RYUDHWBXSA-N 2 1 310.402 -1.041 20 0 DAADMP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001392376828 923988887 /nfs/dbraw/zinc/98/88/87/923988887.db2.gz RADHILNUVROJCT-QWHCGFSZSA-N 2 1 312.414 -1.232 20 0 DAADMP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001392376829 923990283 /nfs/dbraw/zinc/99/02/83/923990283.db2.gz RADHILNUVROJCT-STQMWFEESA-N 2 1 312.414 -1.232 20 0 DAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389786 924002452 /nfs/dbraw/zinc/00/24/52/924002452.db2.gz OZIIKRYTVAUBJB-QWHCGFSZSA-N 2 1 312.414 -1.230 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001392390233 924003346 /nfs/dbraw/zinc/00/33/46/924003346.db2.gz HRPBCEHUMXUDDA-RYUDHWBXSA-N 2 1 300.403 -1.340 20 0 DAADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001392390232 924003967 /nfs/dbraw/zinc/00/39/67/924003967.db2.gz HRPBCEHUMXUDDA-NWDGAFQWSA-N 2 1 300.403 -1.340 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392394290 924005665 /nfs/dbraw/zinc/00/56/65/924005665.db2.gz PCNANZJGAIZABC-RWMBFGLXSA-N 2 1 314.430 -1.081 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC001392396743 924010268 /nfs/dbraw/zinc/01/02/68/924010268.db2.gz UBVPIYAMRUNUTQ-RWMBFGLXSA-N 2 1 314.430 -1.128 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001392407252 924016916 /nfs/dbraw/zinc/01/69/16/924016916.db2.gz HCVIEBQTYYNIFY-MNOVXSKESA-N 2 1 302.375 -2.351 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392427015 924028215 /nfs/dbraw/zinc/02/82/15/924028215.db2.gz SLRLKXQNPOQSJZ-QWHCGFSZSA-N 2 1 314.430 -1.081 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392689506 924064918 /nfs/dbraw/zinc/06/49/18/924064918.db2.gz NKSMAYFJGYUOMX-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392689506 924064930 /nfs/dbraw/zinc/06/49/30/924064930.db2.gz NKSMAYFJGYUOMX-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688911 924065169 /nfs/dbraw/zinc/06/51/69/924065169.db2.gz QDXUBLTYUNZHAW-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688911 924065182 /nfs/dbraw/zinc/06/51/82/924065182.db2.gz QDXUBLTYUNZHAW-UWVGGRQHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688918 924065616 /nfs/dbraw/zinc/06/56/16/924065616.db2.gz QDXUBLTYUNZHAW-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688918 924065645 /nfs/dbraw/zinc/06/56/45/924065645.db2.gz QDXUBLTYUNZHAW-ZJUUUORDSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688907 924066847 /nfs/dbraw/zinc/06/68/47/924066847.db2.gz QDXUBLTYUNZHAW-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001392688907 924066861 /nfs/dbraw/zinc/06/68/61/924066861.db2.gz QDXUBLTYUNZHAW-NXEZZACHSA-N 2 1 301.391 -1.042 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001392898128 924091832 /nfs/dbraw/zinc/09/18/32/924091832.db2.gz MJAXHZSJSLEVII-LBPRGKRZSA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001392898128 924091844 /nfs/dbraw/zinc/09/18/44/924091844.db2.gz MJAXHZSJSLEVII-LBPRGKRZSA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001392898126 924092962 /nfs/dbraw/zinc/09/29/62/924092962.db2.gz MJAXHZSJSLEVII-GFCCVEGCSA-N 2 1 310.398 -1.166 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001392898126 924092967 /nfs/dbraw/zinc/09/29/67/924092967.db2.gz MJAXHZSJSLEVII-GFCCVEGCSA-N 2 1 310.398 -1.166 20 0 DAADMP O=C(Cn1ccnc1)NCC1(NCC(=O)N2CCOCC2)CC1 ZINC001392965532 924101405 /nfs/dbraw/zinc/10/14/05/924101405.db2.gz STGCIXICNXVBII-UHFFFAOYSA-N 2 1 321.381 -1.020 20 0 DAADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957645 924102085 /nfs/dbraw/zinc/10/20/85/924102085.db2.gz XFXLNOIBCMRTTG-VHSXEESVSA-N 2 1 311.386 -1.240 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001393213029 924123358 /nfs/dbraw/zinc/12/33/58/924123358.db2.gz PCLJHIKOHNIHEQ-LBPRGKRZSA-N 2 1 301.387 -1.436 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCOCC2)C1 ZINC001393213029 924123369 /nfs/dbraw/zinc/12/33/69/924123369.db2.gz PCLJHIKOHNIHEQ-LBPRGKRZSA-N 2 1 301.387 -1.436 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393271694 924143146 /nfs/dbraw/zinc/14/31/46/924143146.db2.gz BVQBGOUWWPFZOT-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393276885 924147844 /nfs/dbraw/zinc/14/78/44/924147844.db2.gz PEJRDOKETVVILM-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393276885 924147853 /nfs/dbraw/zinc/14/78/53/924147853.db2.gz PEJRDOKETVVILM-DOMZBBRYSA-N 2 1 312.414 -1.230 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282053 924152876 /nfs/dbraw/zinc/15/28/76/924152876.db2.gz WIMYVDVIGWCXLI-RISCZKNCSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282062 924153738 /nfs/dbraw/zinc/15/37/38/924153738.db2.gz WIMYVDVIGWCXLI-SMDDNHRTSA-N 2 1 300.403 -1.374 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001393582254 924229437 /nfs/dbraw/zinc/22/94/37/924229437.db2.gz FGRGAMUKSWALMR-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001393582267 924231191 /nfs/dbraw/zinc/23/11/91/924231191.db2.gz FGRGAMUKSWALMR-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393643463 924237195 /nfs/dbraw/zinc/23/71/95/924237195.db2.gz HTSROGNGAJGVHM-NSHDSACASA-N 2 1 313.402 -1.087 20 0 DAADMP CN(CCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393643463 924237208 /nfs/dbraw/zinc/23/72/08/924237208.db2.gz HTSROGNGAJGVHM-NSHDSACASA-N 2 1 313.402 -1.087 20 0 DAADMP CN(CCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393643463 924237220 /nfs/dbraw/zinc/23/72/20/924237220.db2.gz HTSROGNGAJGVHM-NSHDSACASA-N 2 1 313.402 -1.087 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001393701114 924244893 /nfs/dbraw/zinc/24/48/93/924244893.db2.gz HDDLOOQXAPXMBB-CQSZACIVSA-N 2 1 300.403 -1.243 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001394102845 924279633 /nfs/dbraw/zinc/27/96/33/924279633.db2.gz NIBBSEBSGPKTSZ-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001394102845 924279642 /nfs/dbraw/zinc/27/96/42/924279642.db2.gz NIBBSEBSGPKTSZ-JTQLQIEISA-N 2 1 301.391 -1.170 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463471 924304401 /nfs/dbraw/zinc/30/44/01/924304401.db2.gz OCSXXQPPQOCYKF-VXGBXAGGSA-N 2 1 321.443 -1.202 20 0 DAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001394463471 924304404 /nfs/dbraw/zinc/30/44/04/924304404.db2.gz OCSXXQPPQOCYKF-VXGBXAGGSA-N 2 1 321.443 -1.202 20 0 DAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001394590368 924325830 /nfs/dbraw/zinc/32/58/30/924325830.db2.gz IURMFQWCNNQNRA-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001394590368 924325840 /nfs/dbraw/zinc/32/58/40/924325840.db2.gz IURMFQWCNNQNRA-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394600999 924331826 /nfs/dbraw/zinc/33/18/26/924331826.db2.gz COECFEIBFRFFBX-LLVKDONJSA-N 2 1 310.402 -1.134 20 0 DAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632753 924345936 /nfs/dbraw/zinc/34/59/36/924345936.db2.gz HQCCITIDAGJJPK-DGCLKSJQSA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632753 924345942 /nfs/dbraw/zinc/34/59/42/924345942.db2.gz HQCCITIDAGJJPK-DGCLKSJQSA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632755 924346378 /nfs/dbraw/zinc/34/63/78/924346378.db2.gz HQCCITIDAGJJPK-WCQYABFASA-N 2 1 312.414 -1.327 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394632755 924346383 /nfs/dbraw/zinc/34/63/83/924346383.db2.gz HQCCITIDAGJJPK-WCQYABFASA-N 2 1 312.414 -1.327 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394730352 924364557 /nfs/dbraw/zinc/36/45/57/924364557.db2.gz KXALRBPRGVZYAP-QWHCGFSZSA-N 2 1 310.402 -1.182 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394730352 924364564 /nfs/dbraw/zinc/36/45/64/924364564.db2.gz KXALRBPRGVZYAP-QWHCGFSZSA-N 2 1 310.402 -1.182 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001394784286 924389129 /nfs/dbraw/zinc/38/91/29/924389129.db2.gz GRISIDRQDHZVPF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001394784286 924389139 /nfs/dbraw/zinc/38/91/39/924389139.db2.gz GRISIDRQDHZVPF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001394784286 924389147 /nfs/dbraw/zinc/38/91/47/924389147.db2.gz GRISIDRQDHZVPF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394784286 924389155 /nfs/dbraw/zinc/38/91/55/924389155.db2.gz GRISIDRQDHZVPF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001394791410 924390795 /nfs/dbraw/zinc/39/07/95/924390795.db2.gz OPBFNLRBOLBRTF-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCO)C1 ZINC001394791410 924390805 /nfs/dbraw/zinc/39/08/05/924390805.db2.gz OPBFNLRBOLBRTF-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)C1 ZINC001394791410 924390815 /nfs/dbraw/zinc/39/08/15/924390815.db2.gz OPBFNLRBOLBRTF-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001394791410 924390821 /nfs/dbraw/zinc/39/08/21/924390821.db2.gz OPBFNLRBOLBRTF-STQMWFEESA-N 2 1 303.403 -1.550 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001394860879 924396286 /nfs/dbraw/zinc/39/62/86/924396286.db2.gz LNJMUGLJGNPVOR-KPPDAEKUSA-N 2 1 311.386 -1.288 20 0 DAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001394860880 924396561 /nfs/dbraw/zinc/39/65/61/924396561.db2.gz LNJMUGLJGNPVOR-WHXUTIOJSA-N 2 1 311.386 -1.288 20 0 DAADMP CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C ZINC001396053009 924506040 /nfs/dbraw/zinc/50/60/40/924506040.db2.gz PXBVTLSTPXVVKF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001396916937 924547511 /nfs/dbraw/zinc/54/75/11/924547511.db2.gz YPFLCORHAFVOLJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001396916937 924547520 /nfs/dbraw/zinc/54/75/20/924547520.db2.gz YPFLCORHAFVOLJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001396916930 924547806 /nfs/dbraw/zinc/54/78/06/924547806.db2.gz YPFLCORHAFVOLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001396916930 924547812 /nfs/dbraw/zinc/54/78/12/924547812.db2.gz YPFLCORHAFVOLJ-CHWSQXEVSA-N 2 1 312.414 -1.014 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397139682 924559858 /nfs/dbraw/zinc/55/98/58/924559858.db2.gz JCOLUOVOHPHBHR-AVGNSLFASA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001397139682 924559863 /nfs/dbraw/zinc/55/98/63/924559863.db2.gz JCOLUOVOHPHBHR-AVGNSLFASA-N 2 1 312.414 -1.063 20 0 DAADMP CC[C@H](C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1)[NH+](C)C ZINC001397170060 924561874 /nfs/dbraw/zinc/56/18/74/924561874.db2.gz LCPDZYUZPMINNG-SNVBAGLBSA-N 2 1 324.385 -1.287 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001397204346 924562754 /nfs/dbraw/zinc/56/27/54/924562754.db2.gz ADJPCKLWFZBZRE-ZIAGYGMSSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001397204346 924562761 /nfs/dbraw/zinc/56/27/61/924562761.db2.gz ADJPCKLWFZBZRE-ZIAGYGMSSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001397204336 924564148 /nfs/dbraw/zinc/56/41/48/924564148.db2.gz ADJPCKLWFZBZRE-KGLIPLIRSA-N 2 1 315.414 -1.405 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001397204336 924564155 /nfs/dbraw/zinc/56/41/55/924564155.db2.gz ADJPCKLWFZBZRE-KGLIPLIRSA-N 2 1 315.414 -1.405 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001397704285 924597451 /nfs/dbraw/zinc/59/74/51/924597451.db2.gz LULKVHXQLBAYIS-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001397704285 924597459 /nfs/dbraw/zinc/59/74/59/924597459.db2.gz LULKVHXQLBAYIS-XQQFMLRXSA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001397799300 924600216 /nfs/dbraw/zinc/60/02/16/924600216.db2.gz YDIZIXHMYFHCKU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001397799300 924600219 /nfs/dbraw/zinc/60/02/19/924600219.db2.gz YDIZIXHMYFHCKU-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398621580 924657347 /nfs/dbraw/zinc/65/73/47/924657347.db2.gz JENSESXMGHYYOW-AXFHLTTASA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001398927261 924678850 /nfs/dbraw/zinc/67/88/50/924678850.db2.gz TZFCQAQQKXIEOG-HBNTYKKESA-N 2 1 313.402 -1.124 20 0 DAADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001399831621 924741246 /nfs/dbraw/zinc/74/12/46/924741246.db2.gz VXALYVXUINOOHR-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCNS(C)(=O)=O ZINC001399831621 924741251 /nfs/dbraw/zinc/74/12/51/924741251.db2.gz VXALYVXUINOOHR-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCNS(C)(=O)=O ZINC001399831621 924741253 /nfs/dbraw/zinc/74/12/53/924741253.db2.gz VXALYVXUINOOHR-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001399831621 924741256 /nfs/dbraw/zinc/74/12/56/924741256.db2.gz VXALYVXUINOOHR-LBPRGKRZSA-N 2 1 320.459 -1.075 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001400088067 924771058 /nfs/dbraw/zinc/77/10/58/924771058.db2.gz PMWVUVSFMDBBAQ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001400088067 924771065 /nfs/dbraw/zinc/77/10/65/924771065.db2.gz PMWVUVSFMDBBAQ-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001400800074 924831922 /nfs/dbraw/zinc/83/19/22/924831922.db2.gz XFHGIAUNSWZLGZ-ZDUSSCGKSA-N 2 1 312.414 -1.062 20 0 DAADMP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001400800074 924831931 /nfs/dbraw/zinc/83/19/31/924831931.db2.gz XFHGIAUNSWZLGZ-ZDUSSCGKSA-N 2 1 312.414 -1.062 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401499178 924868917 /nfs/dbraw/zinc/86/89/17/924868917.db2.gz CBLWIPZAVHDSST-QWRGUYRKSA-N 2 1 302.375 -2.480 20 0 DAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401499178 924868922 /nfs/dbraw/zinc/86/89/22/924868922.db2.gz CBLWIPZAVHDSST-QWRGUYRKSA-N 2 1 302.375 -2.480 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001401546160 924882140 /nfs/dbraw/zinc/88/21/40/924882140.db2.gz HYENDVREPATLDE-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001401561354 924889788 /nfs/dbraw/zinc/88/97/88/924889788.db2.gz GKPABDVWWIVCOB-GWCFXTLKSA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001401561368 924889984 /nfs/dbraw/zinc/88/99/84/924889984.db2.gz GKPABDVWWIVCOB-GXFFZTMASA-N 2 1 323.397 -1.075 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001401561375 924890090 /nfs/dbraw/zinc/89/00/90/924890090.db2.gz GKPABDVWWIVCOB-MFKMUULPSA-N 2 1 323.397 -1.075 20 0 DAADMP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001401572822 924895818 /nfs/dbraw/zinc/89/58/18/924895818.db2.gz RUYVKIMIZBFFEP-ZDUSSCGKSA-N 2 1 310.402 -1.040 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001401588952 924903844 /nfs/dbraw/zinc/90/38/44/924903844.db2.gz TVMYMGMYINFXSU-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001401588952 924903850 /nfs/dbraw/zinc/90/38/50/924903850.db2.gz TVMYMGMYINFXSU-WCQYABFASA-N 2 1 310.402 -1.276 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275680 924961065 /nfs/dbraw/zinc/96/10/65/924961065.db2.gz RZTCQVXCLATKMD-RISCZKNCSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275680 924961070 /nfs/dbraw/zinc/96/10/70/924961070.db2.gz RZTCQVXCLATKMD-RISCZKNCSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275669 924961578 /nfs/dbraw/zinc/96/15/78/924961578.db2.gz RZTCQVXCLATKMD-FZMZJTMJSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402275669 924961584 /nfs/dbraw/zinc/96/15/84/924961584.db2.gz RZTCQVXCLATKMD-FZMZJTMJSA-N 2 1 312.414 -1.103 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001402448140 924997352 /nfs/dbraw/zinc/99/73/52/924997352.db2.gz VOQRJRRBWYKRCG-MNOVXSKESA-N 2 1 322.369 -1.035 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402500210 925005438 /nfs/dbraw/zinc/00/54/38/925005438.db2.gz QYNRJKOLJWWDKD-LPWJVIDDSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402500210 925005448 /nfs/dbraw/zinc/00/54/48/925005448.db2.gz QYNRJKOLJWWDKD-LPWJVIDDSA-N 2 1 301.387 -1.439 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402815761 925030549 /nfs/dbraw/zinc/03/05/49/925030549.db2.gz FFSXLPTVUKFHBS-XQQFMLRXSA-N 2 1 303.403 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402815761 925030560 /nfs/dbraw/zinc/03/05/60/925030560.db2.gz FFSXLPTVUKFHBS-XQQFMLRXSA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001403248515 925067270 /nfs/dbraw/zinc/06/72/70/925067270.db2.gz CEMQOBWIUXIOMM-LLVKDONJSA-N 2 1 313.402 -1.040 20 0 DAADMP O=C(C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1 ZINC001403658175 925102111 /nfs/dbraw/zinc/10/21/11/925102111.db2.gz BUBIAAARIBHMRS-CYBMUJFWSA-N 2 1 324.425 -1.040 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001403664096 925107095 /nfs/dbraw/zinc/10/70/95/925107095.db2.gz GWNJSIDZZMEQMS-VIFPVBQESA-N 2 1 315.374 -2.268 20 0 DAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001403664082 925107140 /nfs/dbraw/zinc/10/71/40/925107140.db2.gz GWNJSIDZZMEQMS-SECBINFHSA-N 2 1 315.374 -2.268 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001403670149 925108436 /nfs/dbraw/zinc/10/84/36/925108436.db2.gz SDWGFNLATVVMKC-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001403670149 925108439 /nfs/dbraw/zinc/10/84/39/925108439.db2.gz SDWGFNLATVVMKC-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001403670149 925108443 /nfs/dbraw/zinc/10/84/43/925108443.db2.gz SDWGFNLATVVMKC-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001403670149 925108448 /nfs/dbraw/zinc/10/84/48/925108448.db2.gz SDWGFNLATVVMKC-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001403723891 925131402 /nfs/dbraw/zinc/13/14/02/925131402.db2.gz JNIKZLCYUBDKOI-UWVGGRQHSA-N 2 1 315.374 -2.410 20 0 DAADMP Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001403749233 925136874 /nfs/dbraw/zinc/13/68/74/925136874.db2.gz PSKHFCUVVBBYMJ-ZIAGYGMSSA-N 2 1 309.414 -1.019 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)C1 ZINC001403751504 925137229 /nfs/dbraw/zinc/13/72/29/925137229.db2.gz QVYOAYUVSPTTMM-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001403767855 925140694 /nfs/dbraw/zinc/14/06/94/925140694.db2.gz XOTKQLICQPZCGR-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001403767855 925140698 /nfs/dbraw/zinc/14/06/98/925140698.db2.gz XOTKQLICQPZCGR-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001403767855 925140702 /nfs/dbraw/zinc/14/07/02/925140702.db2.gz XOTKQLICQPZCGR-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001403767855 925140708 /nfs/dbraw/zinc/14/07/08/925140708.db2.gz XOTKQLICQPZCGR-SNVBAGLBSA-N 2 1 301.391 -1.040 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403856068 925155701 /nfs/dbraw/zinc/15/57/01/925155701.db2.gz RCXGMCDZYVBEAI-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001403901825 925170124 /nfs/dbraw/zinc/17/01/24/925170124.db2.gz RHUVSWZPXXTHLB-FRRDWIJNSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001403901825 925170130 /nfs/dbraw/zinc/17/01/30/925170130.db2.gz RHUVSWZPXXTHLB-FRRDWIJNSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001403901825 925170135 /nfs/dbraw/zinc/17/01/35/925170135.db2.gz RHUVSWZPXXTHLB-FRRDWIJNSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001403901825 925170141 /nfs/dbraw/zinc/17/01/41/925170141.db2.gz RHUVSWZPXXTHLB-FRRDWIJNSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001403901831 925171246 /nfs/dbraw/zinc/17/12/46/925171246.db2.gz RHUVSWZPXXTHLB-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001403901831 925171251 /nfs/dbraw/zinc/17/12/51/925171251.db2.gz RHUVSWZPXXTHLB-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001403901831 925171254 /nfs/dbraw/zinc/17/12/54/925171254.db2.gz RHUVSWZPXXTHLB-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001403901831 925171260 /nfs/dbraw/zinc/17/12/60/925171260.db2.gz RHUVSWZPXXTHLB-RWMBFGLXSA-N 2 1 314.430 -1.047 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001403924022 925172052 /nfs/dbraw/zinc/17/20/52/925172052.db2.gz YAPJXEIOPIHHLX-UONOGXRCSA-N 2 1 317.430 -1.302 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001405095290 925238673 /nfs/dbraw/zinc/23/86/73/925238673.db2.gz WYPLTQNEFVAZMR-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001405095290 925238682 /nfs/dbraw/zinc/23/86/82/925238682.db2.gz WYPLTQNEFVAZMR-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001405291992 925280000 /nfs/dbraw/zinc/28/00/00/925280000.db2.gz WMNKDLAUBTYIPI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405291992 925280010 /nfs/dbraw/zinc/28/00/10/925280010.db2.gz WMNKDLAUBTYIPI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405291992 925280020 /nfs/dbraw/zinc/28/00/20/925280020.db2.gz WMNKDLAUBTYIPI-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405334729 925289491 /nfs/dbraw/zinc/28/94/91/925289491.db2.gz LMPIMIFNNNZOIH-OLZOCXBDSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405334797 925290730 /nfs/dbraw/zinc/29/07/30/925290730.db2.gz LMPIMIFNNNZOIH-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001405406181 925307626 /nfs/dbraw/zinc/30/76/26/925307626.db2.gz YKEYNZIZVRUONL-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405406181 925307637 /nfs/dbraw/zinc/30/76/37/925307637.db2.gz YKEYNZIZVRUONL-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CC[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405406181 925307648 /nfs/dbraw/zinc/30/76/48/925307648.db2.gz YKEYNZIZVRUONL-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405792167 925336094 /nfs/dbraw/zinc/33/60/94/925336094.db2.gz GBQLCWHXAXYWNU-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405792167 925336102 /nfs/dbraw/zinc/33/61/02/925336102.db2.gz GBQLCWHXAXYWNU-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001406241670 925371755 /nfs/dbraw/zinc/37/17/55/925371755.db2.gz BMUVGIVOAFAUKC-UWVGGRQHSA-N 2 1 300.359 -1.203 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001406245033 925373268 /nfs/dbraw/zinc/37/32/68/925373268.db2.gz NXBOKDWLQAGUFH-STQMWFEESA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001406254660 925378623 /nfs/dbraw/zinc/37/86/23/925378623.db2.gz KLUBKPBVOCTGDS-VXGBXAGGSA-N 2 1 300.403 -1.328 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001406262859 925384909 /nfs/dbraw/zinc/38/49/09/925384909.db2.gz XTBOWIMXNOKQDX-ZDUSSCGKSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406284168 925394085 /nfs/dbraw/zinc/39/40/85/925394085.db2.gz JXZQMMNUQONPGP-QWHCGFSZSA-N 2 1 314.430 -1.128 20 0 DAADMP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001406298960 925401536 /nfs/dbraw/zinc/40/15/36/925401536.db2.gz VYUSVSVYIPCLLE-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001406315514 925401651 /nfs/dbraw/zinc/40/16/51/925401651.db2.gz YUAGPAYIRIUHIM-RYUDHWBXSA-N 2 1 300.403 -1.376 20 0 DAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406681901 925428327 /nfs/dbraw/zinc/42/83/27/925428327.db2.gz UVCDXMLNAWINNN-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406681901 925428330 /nfs/dbraw/zinc/42/83/30/925428330.db2.gz UVCDXMLNAWINNN-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406681901 925428337 /nfs/dbraw/zinc/42/83/37/925428337.db2.gz UVCDXMLNAWINNN-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406681901 925428342 /nfs/dbraw/zinc/42/83/42/925428342.db2.gz UVCDXMLNAWINNN-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001406693623 925428664 /nfs/dbraw/zinc/42/86/64/925428664.db2.gz MQUBUBXULULJJO-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001406693623 925428667 /nfs/dbraw/zinc/42/86/67/925428667.db2.gz MQUBUBXULULJJO-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406693623 925428672 /nfs/dbraw/zinc/42/86/72/925428672.db2.gz MQUBUBXULULJJO-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406693623 925428673 /nfs/dbraw/zinc/42/86/73/925428673.db2.gz MQUBUBXULULJJO-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406709365 925428795 /nfs/dbraw/zinc/42/87/95/925428795.db2.gz UXMYGFYJTGSKJF-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001406709365 925428802 /nfs/dbraw/zinc/42/88/02/925428802.db2.gz UXMYGFYJTGSKJF-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406709365 925428807 /nfs/dbraw/zinc/42/88/07/925428807.db2.gz UXMYGFYJTGSKJF-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406709365 925428812 /nfs/dbraw/zinc/42/88/12/925428812.db2.gz UXMYGFYJTGSKJF-QWRGUYRKSA-N 2 1 313.402 -1.170 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001406904136 925443195 /nfs/dbraw/zinc/44/31/95/925443195.db2.gz DWLIZNGAALETGS-RYUDHWBXSA-N 2 1 301.387 -1.437 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001406904136 925443201 /nfs/dbraw/zinc/44/32/01/925443201.db2.gz DWLIZNGAALETGS-RYUDHWBXSA-N 2 1 301.387 -1.437 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186541 925458486 /nfs/dbraw/zinc/45/84/86/925458486.db2.gz TUVGJPDTOQKBAA-QMTHXVAHSA-N 2 1 311.386 -1.286 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001407186541 925458488 /nfs/dbraw/zinc/45/84/88/925458488.db2.gz TUVGJPDTOQKBAA-QMTHXVAHSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186541 925458490 /nfs/dbraw/zinc/45/84/90/925458490.db2.gz TUVGJPDTOQKBAA-QMTHXVAHSA-N 2 1 311.386 -1.286 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001407186541 925458495 /nfs/dbraw/zinc/45/84/95/925458495.db2.gz TUVGJPDTOQKBAA-QMTHXVAHSA-N 2 1 311.386 -1.286 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001407361942 925470280 /nfs/dbraw/zinc/47/02/80/925470280.db2.gz FILHVIMTVWSJAW-FZMZJTMJSA-N 2 1 300.403 -1.374 20 0 DAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001407361942 925470282 /nfs/dbraw/zinc/47/02/82/925470282.db2.gz FILHVIMTVWSJAW-FZMZJTMJSA-N 2 1 300.403 -1.374 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380304 925474604 /nfs/dbraw/zinc/47/46/04/925474604.db2.gz DVADEELFIVADMR-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001407380304 925474614 /nfs/dbraw/zinc/47/46/14/925474614.db2.gz DVADEELFIVADMR-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380304 925474624 /nfs/dbraw/zinc/47/46/24/925474624.db2.gz DVADEELFIVADMR-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001407380304 925474630 /nfs/dbraw/zinc/47/46/30/925474630.db2.gz DVADEELFIVADMR-BLLLJJGKSA-N 2 1 324.425 -1.230 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001407776814 925524712 /nfs/dbraw/zinc/52/47/12/925524712.db2.gz BKZOUDFEFSNOEO-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001407776814 925524718 /nfs/dbraw/zinc/52/47/18/925524718.db2.gz BKZOUDFEFSNOEO-STQMWFEESA-N 2 1 315.414 -1.047 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410129016 925690897 /nfs/dbraw/zinc/69/08/97/925690897.db2.gz LWPDMGLYKLRWAK-VXGBXAGGSA-N 2 1 300.403 -1.517 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410611484 925740354 /nfs/dbraw/zinc/74/03/54/925740354.db2.gz BPLZWPHOUBQYMJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410611484 925740362 /nfs/dbraw/zinc/74/03/62/925740362.db2.gz BPLZWPHOUBQYMJ-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP O=C(C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)N1CCC1 ZINC001410685390 925757287 /nfs/dbraw/zinc/75/72/87/925757287.db2.gz ICSINRJQPLNKOJ-ZDUSSCGKSA-N 2 1 324.425 -1.086 20 0 DAADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001410698053 925759587 /nfs/dbraw/zinc/75/95/87/925759587.db2.gz IVVXUHMHZCJSIB-GHMZBOCLSA-N 2 1 300.403 -1.199 20 0 DAADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001410698117 925759995 /nfs/dbraw/zinc/75/99/95/925759995.db2.gz IVVXUHMHZCJSIB-MNOVXSKESA-N 2 1 300.403 -1.199 20 0 DAADMP O=C(NC[C@@H](CO)[NH2+]CCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001410749807 925771710 /nfs/dbraw/zinc/77/17/10/925771710.db2.gz BZYZNYJPGSYPRH-LBPRGKRZSA-N 2 1 305.338 -1.060 20 0 DAADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001410777655 925777190 /nfs/dbraw/zinc/77/71/90/925777190.db2.gz RFBZJNDNXUXDKY-WDEREUQCSA-N 2 1 302.375 -2.351 20 0 DAADMP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775817 925777594 /nfs/dbraw/zinc/77/75/94/925777594.db2.gz AJZZRDWDOVXIAY-NEPJUHHUSA-N 2 1 312.414 -1.374 20 0 DAADMP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410780360 925780489 /nfs/dbraw/zinc/78/04/89/925780489.db2.gz FIUBMXFGCPTAQC-CHWSQXEVSA-N 2 1 309.414 -1.019 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001410839047 925788352 /nfs/dbraw/zinc/78/83/52/925788352.db2.gz BFLCIJZPWSPSHU-KOLCDFICSA-N 2 1 322.369 -1.035 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C[NH+]1CCCC1 ZINC001411130670 925815819 /nfs/dbraw/zinc/81/58/19/925815819.db2.gz UASCDABHZQBKQM-GFCCVEGCSA-N 2 1 310.402 -1.180 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411138489 925818378 /nfs/dbraw/zinc/81/83/78/925818378.db2.gz LVEWAOCBNPMCPJ-OLZOCXBDSA-N 2 1 312.414 -1.421 20 0 DAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001411170715 925828745 /nfs/dbraw/zinc/82/87/45/925828745.db2.gz PJHVRGCOKHEDRN-QWHCGFSZSA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001411170715 925828751 /nfs/dbraw/zinc/82/87/51/925828751.db2.gz PJHVRGCOKHEDRN-QWHCGFSZSA-N 2 1 312.414 -1.435 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190827 925831624 /nfs/dbraw/zinc/83/16/24/925831624.db2.gz NOAAAPOWLLYPGU-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976705 925997654 /nfs/dbraw/zinc/99/76/54/925997654.db2.gz WNBIUAUAGPXBQL-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976697 925997829 /nfs/dbraw/zinc/99/78/29/925997829.db2.gz WNBIUAUAGPXBQL-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCC[NH+]1C ZINC001415471328 926185355 /nfs/dbraw/zinc/18/53/55/926185355.db2.gz XCCMNWQBAWBNLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCC[NH+]1C ZINC001415471328 926185362 /nfs/dbraw/zinc/18/53/62/926185362.db2.gz XCCMNWQBAWBNLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001415471328 926185369 /nfs/dbraw/zinc/18/53/69/926185369.db2.gz XCCMNWQBAWBNLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CCC[N@H+]1C ZINC001415471328 926185377 /nfs/dbraw/zinc/18/53/77/926185377.db2.gz XCCMNWQBAWBNLJ-OLZOCXBDSA-N 2 1 312.414 -1.014 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001416742500 926259352 /nfs/dbraw/zinc/25/93/52/926259352.db2.gz MRBLQOLANVFGIS-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416742500 926259358 /nfs/dbraw/zinc/25/93/58/926259358.db2.gz MRBLQOLANVFGIS-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418349690 926385527 /nfs/dbraw/zinc/38/55/27/926385527.db2.gz NQVMHCDVFBNQAA-NSHDSACASA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001418435772 926388325 /nfs/dbraw/zinc/38/83/25/926388325.db2.gz BSJCZLRBRTXRAI-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001418435772 926388333 /nfs/dbraw/zinc/38/83/33/926388333.db2.gz BSJCZLRBRTXRAI-NEPJUHHUSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001418570388 926404993 /nfs/dbraw/zinc/40/49/93/926404993.db2.gz KREQKFWOMCPXPR-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001418570388 926404999 /nfs/dbraw/zinc/40/49/99/926404999.db2.gz KREQKFWOMCPXPR-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001418570388 926405005 /nfs/dbraw/zinc/40/50/05/926405005.db2.gz KREQKFWOMCPXPR-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001418570388 926405009 /nfs/dbraw/zinc/40/50/09/926405009.db2.gz KREQKFWOMCPXPR-LLVKDONJSA-N 2 1 313.402 -1.039 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418615999 926410608 /nfs/dbraw/zinc/41/06/08/926410608.db2.gz IXYXLSNSSWJKRI-WUHRBBMRSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418615999 926410614 /nfs/dbraw/zinc/41/06/14/926410614.db2.gz IXYXLSNSSWJKRI-WUHRBBMRSA-N 2 1 312.414 -1.064 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418691900 926415544 /nfs/dbraw/zinc/41/55/44/926415544.db2.gz NCEDBMMOTRBHMJ-XYPYZODXSA-N 2 1 322.369 -1.129 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001419533273 926482938 /nfs/dbraw/zinc/48/29/38/926482938.db2.gz FPFUULZTFQQMQG-JTQLQIEISA-N 2 1 301.391 -1.137 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419578108 926489247 /nfs/dbraw/zinc/48/92/47/926489247.db2.gz VDARRIPHBYNQTG-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419578108 926489252 /nfs/dbraw/zinc/48/92/52/926489252.db2.gz VDARRIPHBYNQTG-OLZOCXBDSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001419874140 926507193 /nfs/dbraw/zinc/50/71/93/926507193.db2.gz HRKNRFAGDIARGR-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001420020318 926517666 /nfs/dbraw/zinc/51/76/66/926517666.db2.gz UUSHARVBASARRX-GHMZBOCLSA-N 2 1 311.386 -1.429 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001420131981 926536176 /nfs/dbraw/zinc/53/61/76/926536176.db2.gz WSGAHVOMZIERCW-KXUCPTDWSA-N 2 1 315.374 -2.412 20 0 DAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001420147392 926542572 /nfs/dbraw/zinc/54/25/72/926542572.db2.gz QLMNKHPOOLSJKW-GFCCVEGCSA-N 2 1 310.402 -1.276 20 0 DAADMP COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420157935 926547440 /nfs/dbraw/zinc/54/74/40/926547440.db2.gz SAFVUXGQJJDBSF-XDQVBPFNSA-N 2 1 317.430 -1.209 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420185764 926555260 /nfs/dbraw/zinc/55/52/60/926555260.db2.gz ANKYOOOCQXRKDH-STQMWFEESA-N 2 1 314.430 -1.223 20 0 DAADMP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420185751 926556577 /nfs/dbraw/zinc/55/65/77/926556577.db2.gz ANKYOOOCQXRKDH-CHWSQXEVSA-N 2 1 314.430 -1.223 20 0 DAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001420193691 926558511 /nfs/dbraw/zinc/55/85/11/926558511.db2.gz KFVNUCFITLDJMF-MNOVXSKESA-N 2 1 323.401 -1.566 20 0 DAADMP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420192854 926559301 /nfs/dbraw/zinc/55/93/01/926559301.db2.gz RSRWDHBMAIMYEO-NEPJUHHUSA-N 2 1 300.403 -1.471 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001420266526 926572258 /nfs/dbraw/zinc/57/22/58/926572258.db2.gz NSQHUZXXFIDLDL-DGCLKSJQSA-N 2 1 323.397 -1.075 20 0 DAADMP CC[C@@H](C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O)[NH+](C)C ZINC001420434181 926591589 /nfs/dbraw/zinc/59/15/89/926591589.db2.gz FLSUCRBIVUGPGG-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O)[NH+](C)C ZINC001420434181 926591591 /nfs/dbraw/zinc/59/15/91/926591591.db2.gz FLSUCRBIVUGPGG-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001420738080 926612585 /nfs/dbraw/zinc/61/25/85/926612585.db2.gz CZBZCSLIKFGCJO-SECBINFHSA-N 2 1 310.358 -1.177 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001421342458 926669398 /nfs/dbraw/zinc/66/93/98/926669398.db2.gz UNXFGGXIQJVVQC-HIFRSBDPSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342458 926669408 /nfs/dbraw/zinc/66/94/08/926669408.db2.gz UNXFGGXIQJVVQC-HIFRSBDPSA-N 2 1 322.413 -1.075 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342458 926669417 /nfs/dbraw/zinc/66/94/17/926669417.db2.gz UNXFGGXIQJVVQC-HIFRSBDPSA-N 2 1 322.413 -1.075 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379753 926678570 /nfs/dbraw/zinc/67/85/70/926678570.db2.gz TYEXPGHXULOFFM-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001421379753 926678580 /nfs/dbraw/zinc/67/85/80/926678580.db2.gz TYEXPGHXULOFFM-SMDDNHRTSA-N 2 1 300.403 -1.245 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389066 926682324 /nfs/dbraw/zinc/68/23/24/926682324.db2.gz LWRNLKKPSQNUEX-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389066 926682340 /nfs/dbraw/zinc/68/23/40/926682340.db2.gz LWRNLKKPSQNUEX-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001421389066 926682352 /nfs/dbraw/zinc/68/23/52/926682352.db2.gz LWRNLKKPSQNUEX-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389066 926682358 /nfs/dbraw/zinc/68/23/58/926682358.db2.gz LWRNLKKPSQNUEX-UKRRQHHQSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389074 926685394 /nfs/dbraw/zinc/68/53/94/926685394.db2.gz LWRNLKKPSQNUEX-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001421389074 926685403 /nfs/dbraw/zinc/68/54/03/926685403.db2.gz LWRNLKKPSQNUEX-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001421389074 926685413 /nfs/dbraw/zinc/68/54/13/926685413.db2.gz LWRNLKKPSQNUEX-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389074 926685421 /nfs/dbraw/zinc/68/54/21/926685421.db2.gz LWRNLKKPSQNUEX-ZFWWWQNUSA-N 2 1 315.414 -1.358 20 0 DAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001421802355 926759022 /nfs/dbraw/zinc/75/90/22/926759022.db2.gz LRLBRVCUGKWVMG-LLVKDONJSA-N 2 1 311.390 -1.521 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001421819122 926764376 /nfs/dbraw/zinc/76/43/76/926764376.db2.gz JWJQRZYHSZVVQZ-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422255722 926803060 /nfs/dbraw/zinc/80/30/60/926803060.db2.gz LVNUDLDAXIQORB-ILDUYXDCSA-N 2 1 311.386 -1.240 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422278745 926810554 /nfs/dbraw/zinc/81/05/54/926810554.db2.gz VRSPAWMXAYCZIR-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422278745 926810568 /nfs/dbraw/zinc/81/05/68/926810568.db2.gz VRSPAWMXAYCZIR-NWDGAFQWSA-N 2 1 316.402 -2.138 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278955 926811008 /nfs/dbraw/zinc/81/10/08/926811008.db2.gz WDFFTCCDVKFXJQ-VXGBXAGGSA-N 2 1 314.386 -2.384 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001422278955 926811018 /nfs/dbraw/zinc/81/10/18/926811018.db2.gz WDFFTCCDVKFXJQ-VXGBXAGGSA-N 2 1 314.386 -2.384 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001422344286 926840113 /nfs/dbraw/zinc/84/01/13/926840113.db2.gz GAOWZPKUYVMJSU-CHWSQXEVSA-N 2 1 312.414 -1.327 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001422344303 926841142 /nfs/dbraw/zinc/84/11/42/926841142.db2.gz GAOWZPKUYVMJSU-QWHCGFSZSA-N 2 1 312.414 -1.327 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001422350550 926843702 /nfs/dbraw/zinc/84/37/02/926843702.db2.gz VVUBZNXOKOJQIR-LBPRGKRZSA-N 2 1 310.402 -1.276 20 0 DAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001422362417 926853377 /nfs/dbraw/zinc/85/33/77/926853377.db2.gz PEHQRMKCFPXRSZ-RYUDHWBXSA-N 2 1 314.430 -1.081 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422406141 926864988 /nfs/dbraw/zinc/86/49/88/926864988.db2.gz XECVDLYDJJZTIN-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422406141 926865001 /nfs/dbraw/zinc/86/50/01/926865001.db2.gz XECVDLYDJJZTIN-RYUDHWBXSA-N 2 1 310.402 -1.276 20 0 DAADMP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001422407448 926865297 /nfs/dbraw/zinc/86/52/97/926865297.db2.gz PLNVSKGDDPWPLX-AAEUAGOBSA-N 2 1 312.418 -1.032 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001422408811 926868133 /nfs/dbraw/zinc/86/81/33/926868133.db2.gz WDGAGIZKBFCVIY-CHWSQXEVSA-N 2 1 312.414 -1.373 20 0 DAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001422605183 926892208 /nfs/dbraw/zinc/89/22/08/926892208.db2.gz RVFWZFUSPGMJIQ-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001422605183 926892218 /nfs/dbraw/zinc/89/22/18/926892218.db2.gz RVFWZFUSPGMJIQ-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422743555 926912635 /nfs/dbraw/zinc/91/26/35/926912635.db2.gz LRYYDFQJLHDIMV-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001423060627 926939097 /nfs/dbraw/zinc/93/90/97/926939097.db2.gz UVOQZCXVYHLQTA-MNOVXSKESA-N 2 1 313.402 -1.027 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067349 926942828 /nfs/dbraw/zinc/94/28/28/926942828.db2.gz XGRFUROSWJSQSH-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067341 926942641 /nfs/dbraw/zinc/94/26/41/926942641.db2.gz XGRFUROSWJSQSH-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067341 926942653 /nfs/dbraw/zinc/94/26/53/926942653.db2.gz XGRFUROSWJSQSH-OLZOCXBDSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067349 926942817 /nfs/dbraw/zinc/94/28/17/926942817.db2.gz XGRFUROSWJSQSH-STQMWFEESA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067345 926943982 /nfs/dbraw/zinc/94/39/82/926943982.db2.gz XGRFUROSWJSQSH-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001423067345 926943995 /nfs/dbraw/zinc/94/39/95/926943995.db2.gz XGRFUROSWJSQSH-QWHCGFSZSA-N 2 1 312.414 -1.063 20 0 DAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001423282170 927012571 /nfs/dbraw/zinc/01/25/71/927012571.db2.gz JTPFLOXHJOMFAB-NWDGAFQWSA-N 2 1 300.403 -1.327 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001423301971 927021671 /nfs/dbraw/zinc/02/16/71/927021671.db2.gz UOKRHVVXEOWACS-DGCLKSJQSA-N 2 1 312.414 -1.327 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423445918 927055597 /nfs/dbraw/zinc/05/55/97/927055597.db2.gz QAMXRGDBWCFVGO-GRYCIOLGSA-N 2 1 300.403 -1.519 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423487765 927072581 /nfs/dbraw/zinc/07/25/81/927072581.db2.gz UZNDJFHIVJWUSR-NEPJUHHUSA-N 2 1 300.403 -1.565 20 0 DAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423487771 927073877 /nfs/dbraw/zinc/07/38/77/927073877.db2.gz UZNDJFHIVJWUSR-VXGBXAGGSA-N 2 1 300.403 -1.565 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423483040 927073960 /nfs/dbraw/zinc/07/39/60/927073960.db2.gz IWDYVAOACGVERZ-AAEUAGOBSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423483040 927073972 /nfs/dbraw/zinc/07/39/72/927073972.db2.gz IWDYVAOACGVERZ-AAEUAGOBSA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423489770 927079000 /nfs/dbraw/zinc/07/90/00/927079000.db2.gz YHTPJOSAVPQGAP-WCQYABFASA-N 2 1 310.402 -1.324 20 0 DAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423489770 927079017 /nfs/dbraw/zinc/07/90/17/927079017.db2.gz YHTPJOSAVPQGAP-WCQYABFASA-N 2 1 310.402 -1.324 20 0 DAADMP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542450 927091967 /nfs/dbraw/zinc/09/19/67/927091967.db2.gz KAQRNMYAJOUUSJ-VXGBXAGGSA-N 2 1 311.386 -1.231 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541491 927092508 /nfs/dbraw/zinc/09/25/08/927092508.db2.gz DIOZUYRPNLQFKD-RYUDHWBXSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541491 927092525 /nfs/dbraw/zinc/09/25/25/927092525.db2.gz DIOZUYRPNLQFKD-RYUDHWBXSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541486 927093869 /nfs/dbraw/zinc/09/38/69/927093869.db2.gz DIOZUYRPNLQFKD-NWDGAFQWSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001423541486 927093886 /nfs/dbraw/zinc/09/38/86/927093886.db2.gz DIOZUYRPNLQFKD-NWDGAFQWSA-N 2 1 300.403 -1.293 20 0 DAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001423759996 927113703 /nfs/dbraw/zinc/11/37/03/927113703.db2.gz IYZWGCMUUFDMTK-LALPHHSUSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001423759996 927113716 /nfs/dbraw/zinc/11/37/16/927113716.db2.gz IYZWGCMUUFDMTK-LALPHHSUSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001423759996 927113725 /nfs/dbraw/zinc/11/37/25/927113725.db2.gz IYZWGCMUUFDMTK-LALPHHSUSA-N 2 1 312.414 -1.374 20 0 DAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423759996 927113732 /nfs/dbraw/zinc/11/37/32/927113732.db2.gz IYZWGCMUUFDMTK-LALPHHSUSA-N 2 1 312.414 -1.374 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423801312 927135368 /nfs/dbraw/zinc/13/53/68/927135368.db2.gz NIYAQBGAYFCHJV-FZMZJTMJSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001423801312 927135379 /nfs/dbraw/zinc/13/53/79/927135379.db2.gz NIYAQBGAYFCHJV-FZMZJTMJSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423801312 927135387 /nfs/dbraw/zinc/13/53/87/927135387.db2.gz NIYAQBGAYFCHJV-FZMZJTMJSA-N 2 1 300.403 -1.247 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423801312 927135398 /nfs/dbraw/zinc/13/53/98/927135398.db2.gz NIYAQBGAYFCHJV-FZMZJTMJSA-N 2 1 300.403 -1.247 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001424244826 927212915 /nfs/dbraw/zinc/21/29/15/927212915.db2.gz VELAQTGKWMTCNS-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424399208 927231622 /nfs/dbraw/zinc/23/16/22/927231622.db2.gz FFEHDIQBTONXDV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001424399208 927231636 /nfs/dbraw/zinc/23/16/36/927231636.db2.gz FFEHDIQBTONXDV-GXTWGEPZSA-N 2 1 301.387 -1.748 20 0 DAADMP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001424541375 927242176 /nfs/dbraw/zinc/24/21/76/927242176.db2.gz ATLSLJVHJBKILI-RYUDHWBXSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCNS(C)(=O)=O)C1 ZINC001425246111 927292837 /nfs/dbraw/zinc/29/28/37/927292837.db2.gz BPXUWZHACCCJKT-LLVKDONJSA-N 2 1 320.459 -1.076 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425331802 927321482 /nfs/dbraw/zinc/32/14/82/927321482.db2.gz UKKLEQMOQVJWOB-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425331802 927321493 /nfs/dbraw/zinc/32/14/93/927321493.db2.gz UKKLEQMOQVJWOB-OLZOCXBDSA-N 2 1 323.397 -1.121 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001425411486 927353413 /nfs/dbraw/zinc/35/34/13/927353413.db2.gz MWLGLTKISSIKJZ-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425411486 927353425 /nfs/dbraw/zinc/35/34/25/927353425.db2.gz MWLGLTKISSIKJZ-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP CC(C)[NH+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425411486 927353440 /nfs/dbraw/zinc/35/34/40/927353440.db2.gz MWLGLTKISSIKJZ-CHWSQXEVSA-N 2 1 314.430 -1.128 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001425445212 927364025 /nfs/dbraw/zinc/36/40/25/927364025.db2.gz MIOMFPQYEGCTHH-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553910 927393124 /nfs/dbraw/zinc/39/31/24/927393124.db2.gz WKAIEYKVVPXCSO-UWVGGRQHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC(N)=O ZINC001425553910 927393136 /nfs/dbraw/zinc/39/31/36/927393136.db2.gz WKAIEYKVVPXCSO-UWVGGRQHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001425711610 927406788 /nfs/dbraw/zinc/40/67/88/927406788.db2.gz JGXDJWJHWWPQMO-NEPJUHHUSA-N 2 1 313.402 -1.828 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796856 927450811 /nfs/dbraw/zinc/45/08/11/927450811.db2.gz DMKIVLCWOBMKKU-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001425796856 927450817 /nfs/dbraw/zinc/45/08/17/927450817.db2.gz DMKIVLCWOBMKKU-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+]1CCCCCC1 ZINC001425829010 927465915 /nfs/dbraw/zinc/46/59/15/927465915.db2.gz XWUZDVXKOJLOTD-RYUDHWBXSA-N 2 1 300.403 -1.197 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425848333 927477053 /nfs/dbraw/zinc/47/70/53/927477053.db2.gz ZXTHZRBUTQFEOQ-NWDGAFQWSA-N 2 1 310.402 -1.184 20 0 DAADMP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425848333 927477061 /nfs/dbraw/zinc/47/70/61/927477061.db2.gz ZXTHZRBUTQFEOQ-NWDGAFQWSA-N 2 1 310.402 -1.184 20 0 DAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001426026780 927508457 /nfs/dbraw/zinc/50/84/57/927508457.db2.gz BYBOXGNZTVGOBV-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001426051696 927516753 /nfs/dbraw/zinc/51/67/53/927516753.db2.gz JVVOHRHSPLCODP-NWDGAFQWSA-N 2 1 311.386 -1.136 20 0 DAADMP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001426058789 927519860 /nfs/dbraw/zinc/51/98/60/927519860.db2.gz VXGUGHHPNKBTKG-GFCCVEGCSA-N 2 1 311.386 -1.263 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001427835191 927686940 /nfs/dbraw/zinc/68/69/40/927686940.db2.gz YOGFRPGSMDMIBV-QWHCGFSZSA-N 2 1 312.414 -1.373 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001427925320 927708571 /nfs/dbraw/zinc/70/85/71/927708571.db2.gz NJUKDJDOBGBCHE-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427925320 927708581 /nfs/dbraw/zinc/70/85/81/927708581.db2.gz NJUKDJDOBGBCHE-CHWSQXEVSA-N 2 1 323.397 -1.121 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001428812508 927812182 /nfs/dbraw/zinc/81/21/82/927812182.db2.gz DLABUYFKOVLGTF-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001428939845 927830117 /nfs/dbraw/zinc/83/01/17/927830117.db2.gz KROXRYZPZFKCMO-UPJWGTAASA-N 2 1 312.414 -1.280 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001431553325 928060758 /nfs/dbraw/zinc/06/07/58/928060758.db2.gz WDVARRTXXBSPLY-FRRDWIJNSA-N 2 1 314.430 -1.128 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001433258977 928198337 /nfs/dbraw/zinc/19/83/37/928198337.db2.gz FJWVETPYORDEDV-OLZOCXBDSA-N 2 1 312.414 -1.230 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482621 928356092 /nfs/dbraw/zinc/35/60/92/928356092.db2.gz PYBBGGJMHLTKSU-MXWKQRLJSA-N 2 1 302.375 -2.556 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436383671 928395078 /nfs/dbraw/zinc/39/50/78/928395078.db2.gz RIJVKQIIHCUSAH-AAVRWANBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436383671 928395089 /nfs/dbraw/zinc/39/50/89/928395089.db2.gz RIJVKQIIHCUSAH-AAVRWANBSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436383694 928395304 /nfs/dbraw/zinc/39/53/04/928395304.db2.gz RIJVKQIIHCUSAH-XUXIUFHCSA-N 2 1 315.414 -1.191 20 0 DAADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436383694 928395317 /nfs/dbraw/zinc/39/53/17/928395317.db2.gz RIJVKQIIHCUSAH-XUXIUFHCSA-N 2 1 315.414 -1.191 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457152 928400661 /nfs/dbraw/zinc/40/06/61/928400661.db2.gz IULDPIZDKBJUGL-STQMWFEESA-N 2 1 312.414 -1.291 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CC(N)=O)C2)C1 ZINC001436457152 928400669 /nfs/dbraw/zinc/40/06/69/928400669.db2.gz IULDPIZDKBJUGL-STQMWFEESA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)C1 ZINC001436457152 928400673 /nfs/dbraw/zinc/40/06/73/928400673.db2.gz IULDPIZDKBJUGL-STQMWFEESA-N 2 1 312.414 -1.291 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)C1 ZINC001436457152 928400682 /nfs/dbraw/zinc/40/06/82/928400682.db2.gz IULDPIZDKBJUGL-STQMWFEESA-N 2 1 312.414 -1.291 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436970625 928421619 /nfs/dbraw/zinc/42/16/19/928421619.db2.gz KKILRIQNDHRFHY-XQQFMLRXSA-N 2 1 310.398 -1.166 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001437082984 928424341 /nfs/dbraw/zinc/42/43/41/928424341.db2.gz REFKGUUMXNPJHV-KKJSVHSVSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001437082984 928424352 /nfs/dbraw/zinc/42/43/52/928424352.db2.gz REFKGUUMXNPJHV-KKJSVHSVSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437082984 928424363 /nfs/dbraw/zinc/42/43/63/928424363.db2.gz REFKGUUMXNPJHV-KKJSVHSVSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437082984 928424373 /nfs/dbraw/zinc/42/43/73/928424373.db2.gz REFKGUUMXNPJHV-KKJSVHSVSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437082986 928424936 /nfs/dbraw/zinc/42/49/36/928424936.db2.gz REFKGUUMXNPJHV-RNWYCLNJSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001437082986 928424943 /nfs/dbraw/zinc/42/49/43/928424943.db2.gz REFKGUUMXNPJHV-RNWYCLNJSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437082986 928424952 /nfs/dbraw/zinc/42/49/52/928424952.db2.gz REFKGUUMXNPJHV-RNWYCLNJSA-N 2 1 323.397 -1.432 20 0 DAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437082986 928424958 /nfs/dbraw/zinc/42/49/58/928424958.db2.gz REFKGUUMXNPJHV-RNWYCLNJSA-N 2 1 323.397 -1.432 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259870 928441386 /nfs/dbraw/zinc/44/13/86/928441386.db2.gz LEBANYUIJRDXIN-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001437259870 928441394 /nfs/dbraw/zinc/44/13/94/928441394.db2.gz LEBANYUIJRDXIN-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001437308658 928444019 /nfs/dbraw/zinc/44/40/19/928444019.db2.gz GUNPGETZXPVORO-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437422412 928448418 /nfs/dbraw/zinc/44/84/18/928448418.db2.gz NHFMUCJZSWMFJW-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437453704 928451357 /nfs/dbraw/zinc/45/13/57/928451357.db2.gz UQXKRPLFJKCSRA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437453704 928451366 /nfs/dbraw/zinc/45/13/66/928451366.db2.gz UQXKRPLFJKCSRA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001437453704 928451380 /nfs/dbraw/zinc/45/13/80/928451380.db2.gz UQXKRPLFJKCSRA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001437453704 928451391 /nfs/dbraw/zinc/45/13/91/928451391.db2.gz UQXKRPLFJKCSRA-WDEREUQCSA-N 2 1 313.402 -1.027 20 0 DAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437745776 928476133 /nfs/dbraw/zinc/47/61/33/928476133.db2.gz UXSSEPAIIFQAPC-STQMWFEESA-N 2 1 312.414 -1.122 20 0 DAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001438142713 928502209 /nfs/dbraw/zinc/50/22/09/928502209.db2.gz QCAQHDQHWWVCKU-AWEZNQCLSA-N 2 1 315.414 -1.236 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379816 928515311 /nfs/dbraw/zinc/51/53/11/928515311.db2.gz VHHNKBOICUZAMP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379816 928515320 /nfs/dbraw/zinc/51/53/20/928515320.db2.gz VHHNKBOICUZAMP-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379814 928515412 /nfs/dbraw/zinc/51/54/12/928515412.db2.gz VHHNKBOICUZAMP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379814 928515418 /nfs/dbraw/zinc/51/54/18/928515418.db2.gz VHHNKBOICUZAMP-NWDGAFQWSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379815 928516194 /nfs/dbraw/zinc/51/61/94/928516194.db2.gz VHHNKBOICUZAMP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NC ZINC001438379815 928516208 /nfs/dbraw/zinc/51/62/08/928516208.db2.gz VHHNKBOICUZAMP-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001438800988 928534361 /nfs/dbraw/zinc/53/43/61/928534361.db2.gz UTFAQZTUKDRIHG-VXGBXAGGSA-N 2 1 300.403 -1.207 20 0 DAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001438800988 928534368 /nfs/dbraw/zinc/53/43/68/928534368.db2.gz UTFAQZTUKDRIHG-VXGBXAGGSA-N 2 1 300.403 -1.207 20 0 DAADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001438965442 928547467 /nfs/dbraw/zinc/54/74/67/928547467.db2.gz GMSLARKUCHPPPU-KBPBESRZSA-N 2 1 323.397 -1.318 20 0 DAADMP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001438965442 928547476 /nfs/dbraw/zinc/54/74/76/928547476.db2.gz GMSLARKUCHPPPU-KBPBESRZSA-N 2 1 323.397 -1.318 20 0 DAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001438989927 928562139 /nfs/dbraw/zinc/56/21/39/928562139.db2.gz JDBZRYHXZWUVOP-KBPBESRZSA-N 2 1 322.413 -1.276 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001438989955 928562453 /nfs/dbraw/zinc/56/24/53/928562453.db2.gz JLXZBIOOBFYAEA-GMTAPVOTSA-N 2 1 311.390 -1.883 20 0 DAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001438989955 928562461 /nfs/dbraw/zinc/56/24/61/928562461.db2.gz JLXZBIOOBFYAEA-GMTAPVOTSA-N 2 1 311.390 -1.883 20 0 DAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)nn1 ZINC001439000834 928567029 /nfs/dbraw/zinc/56/70/29/928567029.db2.gz JGHYSJIQLCBOMY-GFCCVEGCSA-N 2 1 310.402 -1.134 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC2CC2)C1 ZINC001439050580 928594370 /nfs/dbraw/zinc/59/43/70/928594370.db2.gz ZSSCNEXVMFMJCD-STQMWFEESA-N 2 1 312.414 -1.469 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001439061784 928596673 /nfs/dbraw/zinc/59/66/73/928596673.db2.gz SJKSQOHBHAFTIE-CMPLNLGQSA-N 2 1 311.386 -1.265 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001439061791 928596927 /nfs/dbraw/zinc/59/69/27/928596927.db2.gz SJKSQOHBHAFTIE-PWSUYJOCSA-N 2 1 311.386 -1.265 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439988116 928657926 /nfs/dbraw/zinc/65/79/26/928657926.db2.gz KCWFQFBGTWLYBE-WFASDCNBSA-N 2 1 310.398 -1.634 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439988116 928657936 /nfs/dbraw/zinc/65/79/36/928657936.db2.gz KCWFQFBGTWLYBE-WFASDCNBSA-N 2 1 310.398 -1.634 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001440022327 928668898 /nfs/dbraw/zinc/66/88/98/928668898.db2.gz KBRIERUYZIVCEN-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001440022327 928668900 /nfs/dbraw/zinc/66/89/00/928668900.db2.gz KBRIERUYZIVCEN-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440022327 928668905 /nfs/dbraw/zinc/66/89/05/928668905.db2.gz KBRIERUYZIVCEN-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440022327 928668909 /nfs/dbraw/zinc/66/89/09/928668909.db2.gz KBRIERUYZIVCEN-SWLSCSKDSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001440022315 928669322 /nfs/dbraw/zinc/66/93/22/928669322.db2.gz KBRIERUYZIVCEN-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001440022315 928669330 /nfs/dbraw/zinc/66/93/30/928669330.db2.gz KBRIERUYZIVCEN-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440022315 928669335 /nfs/dbraw/zinc/66/93/35/928669335.db2.gz KBRIERUYZIVCEN-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440022315 928669341 /nfs/dbraw/zinc/66/93/41/928669341.db2.gz KBRIERUYZIVCEN-DOMZBBRYSA-N 2 1 312.414 -1.373 20 0 DAADMP O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017930 928669788 /nfs/dbraw/zinc/66/97/88/928669788.db2.gz CIFYCFMUFXLSGY-LRDDRELGSA-N 2 1 322.409 -1.476 20 0 DAADMP O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001440017930 928669799 /nfs/dbraw/zinc/66/97/99/928669799.db2.gz CIFYCFMUFXLSGY-LRDDRELGSA-N 2 1 322.409 -1.476 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440019976 928670100 /nfs/dbraw/zinc/67/01/00/928670100.db2.gz QKRLFJKMOXIBMK-HNNXBMFYSA-N 2 1 312.414 -1.099 20 0 DAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440019976 928670109 /nfs/dbraw/zinc/67/01/09/928670109.db2.gz QKRLFJKMOXIBMK-HNNXBMFYSA-N 2 1 312.414 -1.099 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001440207003 928706809 /nfs/dbraw/zinc/70/68/09/928706809.db2.gz PTYCMVGJKSMIRH-STQMWFEESA-N 2 1 312.414 -1.373 20 0 DAADMP CC(C)[N@H+](C)CC(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001440442279 928721900 /nfs/dbraw/zinc/72/19/00/928721900.db2.gz LEPWODORLDESGK-UHFFFAOYSA-N 2 1 324.385 -1.287 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001440442279 928721912 /nfs/dbraw/zinc/72/19/12/928721912.db2.gz LEPWODORLDESGK-UHFFFAOYSA-N 2 1 324.385 -1.287 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440454707 928722622 /nfs/dbraw/zinc/72/26/22/928722622.db2.gz MAFZWAMTFXSHBV-LBPRGKRZSA-N 2 1 300.403 -1.291 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440454707 928722631 /nfs/dbraw/zinc/72/26/31/928722631.db2.gz MAFZWAMTFXSHBV-LBPRGKRZSA-N 2 1 300.403 -1.291 20 0 DAADMP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001440839440 928745203 /nfs/dbraw/zinc/74/52/03/928745203.db2.gz MBLOWTGXHICUHD-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001440995085 928754646 /nfs/dbraw/zinc/75/46/46/928754646.db2.gz LFBWEFKUCIJKFC-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NC(N)=O ZINC001440995085 928754652 /nfs/dbraw/zinc/75/46/52/928754652.db2.gz LFBWEFKUCIJKFC-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440995085 928754656 /nfs/dbraw/zinc/75/46/56/928754656.db2.gz LFBWEFKUCIJKFC-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440995085 928754661 /nfs/dbraw/zinc/75/46/61/928754661.db2.gz LFBWEFKUCIJKFC-JTQLQIEISA-N 2 1 301.391 -1.040 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001441183828 928772708 /nfs/dbraw/zinc/77/27/08/928772708.db2.gz GDEKOPZHCNCDRL-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP CN(C)C(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001441183828 928772717 /nfs/dbraw/zinc/77/27/17/928772717.db2.gz GDEKOPZHCNCDRL-CHWSQXEVSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001441381695 928787291 /nfs/dbraw/zinc/78/72/91/928787291.db2.gz CRESBQRBXXERGT-MGCOHNPYSA-N 2 1 311.386 -1.098 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441440840 928788942 /nfs/dbraw/zinc/78/89/42/928788942.db2.gz MJOYKZURXXDYHJ-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441440840 928788948 /nfs/dbraw/zinc/78/89/48/928788948.db2.gz MJOYKZURXXDYHJ-OLZOCXBDSA-N 2 1 312.414 -1.110 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701574 928823573 /nfs/dbraw/zinc/82/35/73/928823573.db2.gz TYEKYOKXVOVDLX-STQMWFEESA-N 2 1 311.386 -1.720 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001441701574 928823588 /nfs/dbraw/zinc/82/35/88/928823588.db2.gz TYEKYOKXVOVDLX-STQMWFEESA-N 2 1 311.386 -1.720 20 0 DAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441719971 928836412 /nfs/dbraw/zinc/83/64/12/928836412.db2.gz LPCQRDZBTCKMTK-NWDGAFQWSA-N 2 1 309.370 -1.463 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001441763837 928856463 /nfs/dbraw/zinc/85/64/63/928856463.db2.gz ZVRDWHLLSSKIRG-QWHCGFSZSA-N 2 1 323.397 -1.073 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793298 928865410 /nfs/dbraw/zinc/86/54/10/928865410.db2.gz UAFJZROZNGKZJN-QWRGUYRKSA-N 2 1 307.416 -1.544 20 0 DAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCS(C)(=O)=O ZINC001441793298 928865422 /nfs/dbraw/zinc/86/54/22/928865422.db2.gz UAFJZROZNGKZJN-QWRGUYRKSA-N 2 1 307.416 -1.544 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001441971482 928895373 /nfs/dbraw/zinc/89/53/73/928895373.db2.gz IMOXWZLNUZHQMD-SDDRHHMPSA-N 2 1 300.403 -1.389 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442025867 928907919 /nfs/dbraw/zinc/90/79/19/928907919.db2.gz AZCTYZOVAULXQW-AAEUAGOBSA-N 2 1 312.414 -1.374 20 0 DAADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001442026538 928909905 /nfs/dbraw/zinc/90/99/05/928909905.db2.gz UYBPDQYODFTNQF-OLZOCXBDSA-N 2 1 314.430 -1.032 20 0 DAADMP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001442096582 928927658 /nfs/dbraw/zinc/92/76/58/928927658.db2.gz PHGNVPVZVDHTAP-CYBMUJFWSA-N 2 1 303.403 -1.548 20 0 DAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CC[NH+]1CCOCC1 ZINC001442096582 928927660 /nfs/dbraw/zinc/92/76/60/928927660.db2.gz PHGNVPVZVDHTAP-CYBMUJFWSA-N 2 1 303.403 -1.548 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153976 928932344 /nfs/dbraw/zinc/93/23/44/928932344.db2.gz ONDCFSPLUKLSAO-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001442153976 928932350 /nfs/dbraw/zinc/93/23/50/928932350.db2.gz ONDCFSPLUKLSAO-QWHCGFSZSA-N 2 1 312.414 -1.109 20 0 DAADMP C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001443097109 928990872 /nfs/dbraw/zinc/99/08/72/928990872.db2.gz HBQNWVCOPVAFBS-QWRGUYRKSA-N 2 1 313.402 -1.040 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001443718961 929023856 /nfs/dbraw/zinc/02/38/56/929023856.db2.gz WYPLTQNEFVAZMR-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001443718961 929023866 /nfs/dbraw/zinc/02/38/66/929023866.db2.gz WYPLTQNEFVAZMR-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444183779 929078107 /nfs/dbraw/zinc/07/81/07/929078107.db2.gz FEHVINCJMYGWPO-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444183779 929078114 /nfs/dbraw/zinc/07/81/14/929078114.db2.gz FEHVINCJMYGWPO-OLZOCXBDSA-N 2 1 323.397 -1.263 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444310718 929110131 /nfs/dbraw/zinc/11/01/31/929110131.db2.gz PFQSMAWXRWCMNB-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444310723 929110542 /nfs/dbraw/zinc/11/05/42/929110542.db2.gz PFQSMAWXRWCMNB-QWHCGFSZSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001444391562 929119634 /nfs/dbraw/zinc/11/96/34/929119634.db2.gz QYQVKIIJMKSKEV-WDEREUQCSA-N 2 1 313.402 -1.135 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444593827 929132309 /nfs/dbraw/zinc/13/23/09/929132309.db2.gz FQROBHFUDNHGLX-UWVGGRQHSA-N 2 1 315.374 -2.052 20 0 DAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444593827 929132312 /nfs/dbraw/zinc/13/23/12/929132312.db2.gz FQROBHFUDNHGLX-UWVGGRQHSA-N 2 1 315.374 -2.052 20 0 DAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445216632 929190149 /nfs/dbraw/zinc/19/01/49/929190149.db2.gz VEZBZUTYGHOJMP-OLZOCXBDSA-N 2 1 310.402 -1.134 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001445264883 929206934 /nfs/dbraw/zinc/20/69/34/929206934.db2.gz GHQVEZGHDLIYMK-NWDGAFQWSA-N 2 1 314.430 -1.081 20 0 DAADMP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445276445 929209467 /nfs/dbraw/zinc/20/94/67/929209467.db2.gz MJADCNAVZCXCQA-CHWSQXEVSA-N 2 1 314.430 -1.127 20 0 DAADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446551166 929297770 /nfs/dbraw/zinc/29/77/70/929297770.db2.gz OKPSVLVMPMZAIG-CQSZACIVSA-N 2 1 323.397 -1.142 20 0 DAADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446551166 929297783 /nfs/dbraw/zinc/29/77/83/929297783.db2.gz OKPSVLVMPMZAIG-CQSZACIVSA-N 2 1 323.397 -1.142 20 0 DAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001446761211 929312538 /nfs/dbraw/zinc/31/25/38/929312538.db2.gz QANDABNOUZQMRF-CQSZACIVSA-N 2 1 310.398 -1.347 20 0 DAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001446761211 929312549 /nfs/dbraw/zinc/31/25/49/929312549.db2.gz QANDABNOUZQMRF-CQSZACIVSA-N 2 1 310.398 -1.347 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001447056655 929366591 /nfs/dbraw/zinc/36/65/91/929366591.db2.gz BXLGRICHUMTOEG-STQMWFEESA-N 2 1 314.430 -1.127 20 0 DAADMP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327863 929385813 /nfs/dbraw/zinc/38/58/13/929385813.db2.gz XTTISPCLUPHMBD-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447327863 929385828 /nfs/dbraw/zinc/38/58/28/929385828.db2.gz XTTISPCLUPHMBD-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447327863 929385835 /nfs/dbraw/zinc/38/58/35/929385835.db2.gz XTTISPCLUPHMBD-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP CN(CCC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447327863 929385845 /nfs/dbraw/zinc/38/58/45/929385845.db2.gz XTTISPCLUPHMBD-STQMWFEESA-N 2 1 312.414 -1.014 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCNS(C)(=O)=O ZINC001448145890 929432561 /nfs/dbraw/zinc/43/25/61/929432561.db2.gz ICMTVWRRMRGTGT-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145890 929432571 /nfs/dbraw/zinc/43/25/71/929432571.db2.gz ICMTVWRRMRGTGT-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCNS(C)(=O)=O ZINC001448145890 929432579 /nfs/dbraw/zinc/43/25/79/929432579.db2.gz ICMTVWRRMRGTGT-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCNS(C)(=O)=O ZINC001448145890 929432584 /nfs/dbraw/zinc/43/25/84/929432584.db2.gz ICMTVWRRMRGTGT-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448145890 929432592 /nfs/dbraw/zinc/43/25/92/929432592.db2.gz ICMTVWRRMRGTGT-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448446552 929453171 /nfs/dbraw/zinc/45/31/71/929453171.db2.gz HYHKEXNMYXTQTJ-SYQHCUMBSA-N 2 1 324.425 -1.124 20 0 DAADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448446552 929453175 /nfs/dbraw/zinc/45/31/75/929453175.db2.gz HYHKEXNMYXTQTJ-SYQHCUMBSA-N 2 1 324.425 -1.124 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448792735 929472305 /nfs/dbraw/zinc/47/23/05/929472305.db2.gz VRNWIIOBBPAIOM-WDEREUQCSA-N 2 1 313.402 -1.170 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448860374 929496684 /nfs/dbraw/zinc/49/66/84/929496684.db2.gz HKBVKEWMVJVOIC-NEPJUHHUSA-N 2 1 312.414 -1.184 20 0 DAADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001448944570 929522628 /nfs/dbraw/zinc/52/26/28/929522628.db2.gz IQGRZSWJJNDNND-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001448944570 929522634 /nfs/dbraw/zinc/52/26/34/929522634.db2.gz IQGRZSWJJNDNND-NEPJUHHUSA-N 2 1 300.403 -1.327 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448953158 929526003 /nfs/dbraw/zinc/52/60/03/929526003.db2.gz VFSDOTAGKHEXCW-UWVGGRQHSA-N 2 1 317.390 -2.023 20 0 DAADMP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001449149735 929554199 /nfs/dbraw/zinc/55/41/99/929554199.db2.gz POEDKYPSTWKWCO-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001449147178 929554420 /nfs/dbraw/zinc/55/44/20/929554420.db2.gz FLKMIGNSOMEYLG-RWMBFGLXSA-N 2 1 303.403 -1.503 20 0 DAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001449239774 929574050 /nfs/dbraw/zinc/57/40/50/929574050.db2.gz ZKKSAXMJNINNMJ-LBPRGKRZSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001449239774 929574059 /nfs/dbraw/zinc/57/40/59/929574059.db2.gz ZKKSAXMJNINNMJ-LBPRGKRZSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001449239774 929574067 /nfs/dbraw/zinc/57/40/67/929574067.db2.gz ZKKSAXMJNINNMJ-LBPRGKRZSA-N 2 1 302.419 -1.176 20 0 DAADMP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001449239774 929574074 /nfs/dbraw/zinc/57/40/74/929574074.db2.gz ZKKSAXMJNINNMJ-LBPRGKRZSA-N 2 1 302.419 -1.176 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001450315322 929620858 /nfs/dbraw/zinc/62/08/58/929620858.db2.gz ZXHKPBRVLPRBIA-CYBMUJFWSA-N 2 1 312.414 -1.014 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001521504475 929663197 /nfs/dbraw/zinc/66/31/97/929663197.db2.gz VAMNSDODQCNPNO-CHWSQXEVSA-N 2 1 311.430 -1.454 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001528007700 929790997 /nfs/dbraw/zinc/79/09/97/929790997.db2.gz ULRRZCQTIRMJHW-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001528007700 929791011 /nfs/dbraw/zinc/79/10/11/929791011.db2.gz ULRRZCQTIRMJHW-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001528007700 929791025 /nfs/dbraw/zinc/79/10/25/929791025.db2.gz ULRRZCQTIRMJHW-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528007700 929791040 /nfs/dbraw/zinc/79/10/40/929791040.db2.gz ULRRZCQTIRMJHW-OLZOCXBDSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001528007701 929792338 /nfs/dbraw/zinc/79/23/38/929792338.db2.gz ULRRZCQTIRMJHW-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001528007701 929792348 /nfs/dbraw/zinc/79/23/48/929792348.db2.gz ULRRZCQTIRMJHW-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001528007701 929792359 /nfs/dbraw/zinc/79/23/59/929792359.db2.gz ULRRZCQTIRMJHW-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528007701 929792370 /nfs/dbraw/zinc/79/23/70/929792370.db2.gz ULRRZCQTIRMJHW-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001548556963 930030825 /nfs/dbraw/zinc/03/08/25/930030825.db2.gz HVUHNKAQKAZALR-BBRMVZONSA-N 2 1 324.425 -1.086 20 0 DAADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548572864 930031778 /nfs/dbraw/zinc/03/17/78/930031778.db2.gz RBNPFFCGXWVFPM-RQJABVFESA-N 2 1 324.425 -1.232 20 0 DAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001548557008 930032113 /nfs/dbraw/zinc/03/21/13/930032113.db2.gz IVDPTAVMVXJSKV-XQQFMLRXSA-N 2 1 312.414 -1.374 20 0 DAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646957 930034316 /nfs/dbraw/zinc/03/43/16/930034316.db2.gz LNCFASCZRZICQI-ZIAGYGMSSA-N 2 1 323.441 -1.345 20 0 DAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001548646957 930034328 /nfs/dbraw/zinc/03/43/28/930034328.db2.gz LNCFASCZRZICQI-ZIAGYGMSSA-N 2 1 323.441 -1.345 20 0 DAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549290543 930052523 /nfs/dbraw/zinc/05/25/23/930052523.db2.gz SHCUBTQYVPXGCQ-RYUDHWBXSA-N 2 1 310.398 -1.179 20 0 DAADMP C[NH+](C)[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1n1ccnn1 ZINC001549714457 930059626 /nfs/dbraw/zinc/05/96/26/930059626.db2.gz MFOKSISXSGHPKU-UONOGXRCSA-N 2 1 321.429 -1.161 20 0 DAADMP CN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001550115548 930062868 /nfs/dbraw/zinc/06/28/68/930062868.db2.gz BETCWOFXGDTPLE-KGLIPLIRSA-N 2 1 323.441 -1.297 20 0 DAADMP CNC(=O)[C@]12C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2 ZINC001551410448 930065494 /nfs/dbraw/zinc/06/54/94/930065494.db2.gz QFDNNLBDFOADCZ-IUODEOHRSA-N 2 1 310.398 -1.497 20 0 DAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203185 930070296 /nfs/dbraw/zinc/07/02/96/930070296.db2.gz WKZXSOXKAGJUBN-XJKCOSOUSA-N 2 1 322.409 -1.355 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552199468 930070426 /nfs/dbraw/zinc/07/04/26/930070426.db2.gz CDVAZKZKJNLETM-XHDPSFHLSA-N 2 1 310.398 -1.451 20 0 DAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201027 930070731 /nfs/dbraw/zinc/07/07/31/930070731.db2.gz 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CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161478 781947760 /nfs/dbraw/zinc/94/77/60/781947760.db2.gz IYRLCSJGMGZDKB-LLVKDONJSA-N 2 1 313.402 -1.074 20 0 DAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419530025 545768103 /nfs/dbraw/zinc/76/81/03/545768103.db2.gz YSWZIKJZRXHCBH-ZDUSSCGKSA-N 2 1 313.446 -1.146 20 0 DAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419579901 545769300 /nfs/dbraw/zinc/76/93/00/545769300.db2.gz GYKOYXRSPKJZSH-GFCCVEGCSA-N 2 1 300.403 -1.243 20 0 DAADMP CCC[C@](C)([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035195 545774224 /nfs/dbraw/zinc/77/42/24/545774224.db2.gz CIOTUSGDSMLWOU-ZDUSSCGKSA-N 2 1 318.443 -1.050 20 0 DAADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424047203 545773966 /nfs/dbraw/zinc/77/39/66/545773966.db2.gz WVVZOSQXYXNEMG-WDEREUQCSA-N 2 1 316.427 -1.440 20 0 DAADMP [NH3+]CC1(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000424039436 545774544 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324.425 -1.421 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718571 372787441 /nfs/dbraw/zinc/78/74/41/372787441.db2.gz ZWKRJOBCNVPWIS-IXOXFDKPSA-N 2 1 310.398 -1.624 20 0 DAADMP CN(CCn1nc2ccccn2c1=O)CC(=O)N1CCNCC1 ZINC000261730694 372820614 /nfs/dbraw/zinc/82/06/14/372820614.db2.gz MUNPCGXJGVKDIM-UHFFFAOYSA-N 2 1 318.381 -1.140 20 0 DAADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565480609 372796569 /nfs/dbraw/zinc/79/65/69/372796569.db2.gz GMOQONSJWCUIKD-QWRGUYRKSA-N 2 1 307.350 -1.187 20 0 DAADMP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000642785676 372808661 /nfs/dbraw/zinc/80/86/61/372808661.db2.gz CRMXVKJDJANNPW-UONOGXRCSA-N 2 1 323.441 -1.312 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000557241991 372810911 /nfs/dbraw/zinc/81/09/11/372810911.db2.gz TVYGPABVITXYCT-MELADBBJSA-N 2 1 313.446 -1.014 20 0 DAADMP COCC[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CN(C)CCO2)C1 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CC1(C)NC(=O)N(CCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000580096239 372926118 /nfs/dbraw/zinc/92/61/18/372926118.db2.gz YLAQUOKWUULCSX-WDEREUQCSA-N 2 1 323.397 -1.049 20 0 DAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000601344203 372940593 /nfs/dbraw/zinc/94/05/93/372940593.db2.gz VFPVOUMHJFGRJO-QWRGUYRKSA-N 2 1 321.399 -1.859 20 0 DAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CCN2C1=O ZINC000602531994 373063940 /nfs/dbraw/zinc/06/39/40/373063940.db2.gz YZADKSNDTOFVJF-LOWDOPEQSA-N 2 1 308.382 -1.380 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317087091 373085505 /nfs/dbraw/zinc/08/55/05/373085505.db2.gz PATUVPRFILJBLP-GHMZBOCLSA-N 2 1 311.386 -1.239 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317087091 373085512 /nfs/dbraw/zinc/08/55/12/373085512.db2.gz PATUVPRFILJBLP-GHMZBOCLSA-N 2 1 311.386 -1.239 20 0 DAADMP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317087098 373085668 /nfs/dbraw/zinc/08/56/68/373085668.db2.gz PATUVPRFILJBLP-WDEREUQCSA-N 2 1 311.386 -1.239 20 0 DAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317087098 373085672 /nfs/dbraw/zinc/08/56/72/373085672.db2.gz PATUVPRFILJBLP-WDEREUQCSA-N 2 1 311.386 -1.239 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313863559 373110165 /nfs/dbraw/zinc/11/01/65/373110165.db2.gz JZIBVTPMYNVSEG-STQMWFEESA-N 2 1 323.459 -1.109 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313863556 373110477 /nfs/dbraw/zinc/11/04/77/373110477.db2.gz JZIBVTPMYNVSEG-CHWSQXEVSA-N 2 1 323.459 -1.109 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380729 373072284 /nfs/dbraw/zinc/07/22/84/373072284.db2.gz XFSXTCWRQKFEEM-CYBMUJFWSA-N 2 1 312.414 -1.061 20 0 DAADMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)c1 ZINC000269659032 373171701 /nfs/dbraw/zinc/17/17/01/373171701.db2.gz FXYWFLCCXHVQCB-NSHDSACASA-N 2 1 307.354 -1.059 20 0 DAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[N@H+]1C1CC1 ZINC000571185372 373142227 /nfs/dbraw/zinc/14/22/27/373142227.db2.gz FHQFDAYWTIJONL-LFSVMHDDSA-N 2 1 310.398 -1.481 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263254980 373144628 /nfs/dbraw/zinc/14/46/28/373144628.db2.gz QKBUVBMFDGUJEJ-AAEUAGOBSA-N 2 1 300.403 -1.077 20 0 DAADMP O=C([C@@H]1CSC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475826 373223090 /nfs/dbraw/zinc/22/30/90/373223090.db2.gz DJWDHJZNYFOFGB-NSHDSACASA-N 2 1 313.427 -1.182 20 0 DAADMP O[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789408 373190795 /nfs/dbraw/zinc/19/07/95/373190795.db2.gz OAKYOVSTIYZPRB-YHUYYLMFSA-N 2 1 308.378 -1.239 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ncn(C)c1=O ZINC000617506500 373264274 /nfs/dbraw/zinc/26/42/74/373264274.db2.gz PVAQUFAENZIGFS-LBPRGKRZSA-N 2 1 312.418 -1.030 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ncn(C)c1=O ZINC000617506500 373264283 /nfs/dbraw/zinc/26/42/83/373264283.db2.gz PVAQUFAENZIGFS-LBPRGKRZSA-N 2 1 312.418 -1.030 20 0 DAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](CO)NC(N)=O ZINC000617506287 373264312 /nfs/dbraw/zinc/26/43/12/373264312.db2.gz IWLCTWJHGDTREW-QWRGUYRKSA-N 2 1 303.407 -1.596 20 0 DAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](CO)NC(N)=O ZINC000617506287 373264319 /nfs/dbraw/zinc/26/43/19/373264319.db2.gz IWLCTWJHGDTREW-QWRGUYRKSA-N 2 1 303.407 -1.596 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419678101 373320941 /nfs/dbraw/zinc/32/09/41/373320941.db2.gz NQTAFOVNIYMCLT-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419352001 373321207 /nfs/dbraw/zinc/32/12/07/373321207.db2.gz IGRLPCFVIDQCAN-NWDGAFQWSA-N 2 1 300.403 -1.124 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418926941 373321309 /nfs/dbraw/zinc/32/13/09/373321309.db2.gz SDNPRSJANZCFBE-NWDGAFQWSA-N 2 1 300.403 -1.077 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419756687 373323305 /nfs/dbraw/zinc/32/33/05/373323305.db2.gz BFYZWUHOLJEHNZ-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572402399 373338674 /nfs/dbraw/zinc/33/86/74/373338674.db2.gz KFDUVPOLOMIZBQ-JQWIXIFHSA-N 2 1 316.427 -1.570 20 0 DAADMP CN1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C[C@H]21 ZINC000332951067 373341114 /nfs/dbraw/zinc/34/11/14/373341114.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 1 311.430 -1.043 20 0 DAADMP CN1CCN(C)[C@H](CNC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000332951067 373341121 /nfs/dbraw/zinc/34/11/21/373341121.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 1 311.430 -1.043 20 0 DAADMP O=C(CN1CCNCC1=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000574988034 373342020 /nfs/dbraw/zinc/34/20/20/373342020.db2.gz DMADLJQSGBEJBV-UHFFFAOYSA-N 2 1 323.441 -1.249 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000626933783 373369512 /nfs/dbraw/zinc/36/95/12/373369512.db2.gz OLXSWWQVBIXHIL-GFCCVEGCSA-N 2 1 313.402 -1.562 20 0 DAADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629787576 373403694 /nfs/dbraw/zinc/40/36/94/373403694.db2.gz GRXVRKVXJBMKCP-UHFFFAOYSA-N 2 1 300.403 -1.026 20 0 DAADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817198 373413364 /nfs/dbraw/zinc/41/33/64/373413364.db2.gz ZXTKLBMTVDPAKU-MJBXVCDLSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)[N@H+]1C ZINC000629819769 373414079 /nfs/dbraw/zinc/41/40/79/373414079.db2.gz PXZYUTVXYCLZRR-TXEJJXNPSA-N 2 1 300.403 -1.029 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)[N@@H+]1C ZINC000629819769 373414092 /nfs/dbraw/zinc/41/40/92/373414092.db2.gz PXZYUTVXYCLZRR-TXEJJXNPSA-N 2 1 300.403 -1.029 20 0 DAADMP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCOCC[NH3+])cn1 ZINC000629579015 373401062 /nfs/dbraw/zinc/40/10/62/373401062.db2.gz OUEJGNFZSGQZNY-UHFFFAOYSA-N 2 1 305.404 -1.395 20 0 DAADMP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCOCC[NH3+])cn1 ZINC000629579015 373401075 /nfs/dbraw/zinc/40/10/75/373401075.db2.gz OUEJGNFZSGQZNY-UHFFFAOYSA-N 2 1 305.404 -1.395 20 0 DAADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576651 373401215 /nfs/dbraw/zinc/40/12/15/373401215.db2.gz VKOYATNVLCPIGA-LBPRGKRZSA-N 2 1 308.448 -1.135 20 0 DAADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000183967740 373445269 /nfs/dbraw/zinc/44/52/69/373445269.db2.gz OVDXEJFGIIADHR-CYBMUJFWSA-N 2 1 314.430 -1.173 20 0 DAADMP C[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000565304486 373520172 /nfs/dbraw/zinc/52/01/72/373520172.db2.gz SLXPUKULIDVURF-CYBMUJFWSA-N 2 1 311.430 -1.488 20 0 DAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000566197895 373524519 /nfs/dbraw/zinc/52/45/19/373524519.db2.gz SFIKTLXGSHBKAE-SNVBAGLBSA-N 2 1 300.359 -1.843 20 0 DAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC000566197895 373524529 /nfs/dbraw/zinc/52/45/29/373524529.db2.gz SFIKTLXGSHBKAE-SNVBAGLBSA-N 2 1 300.359 -1.843 20 0 DAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1 ZINC000566302759 373528479 /nfs/dbraw/zinc/52/84/79/373528479.db2.gz UIHJXVKXJGRWOO-KBPBESRZSA-N 3 1 316.446 -1.289 20 0 DAADMP CC(C)CN1CCO[C@@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1 ZINC000566302759 373528484 /nfs/dbraw/zinc/52/84/84/373528484.db2.gz UIHJXVKXJGRWOO-KBPBESRZSA-N 3 1 316.446 -1.289 20 0 DAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000566792363 373531339 /nfs/dbraw/zinc/53/13/39/373531339.db2.gz VAHKQQWXAIKDAQ-AWEZNQCLSA-N 2 1 314.430 -1.567 20 0 DAADMP Cn1c(N)c(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(=O)n(C)c1=O ZINC000567471941 373534393 /nfs/dbraw/zinc/53/43/93/373534393.db2.gz BJXMFNXRFYHVGK-UHFFFAOYSA-N 2 1 309.370 -1.480 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1 ZINC000573315987 373553151 /nfs/dbraw/zinc/55/31/51/373553151.db2.gz SNZLIEUUNLZRJN-CYBMUJFWSA-N 2 1 313.446 -1.242 20 0 DAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000573724119 373555604 /nfs/dbraw/zinc/55/56/04/373555604.db2.gz RDXNJVCSXVCAAC-CYBMUJFWSA-N 3 1 311.430 -1.405 20 0 DAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000573724119 373555609 /nfs/dbraw/zinc/55/56/09/373555609.db2.gz RDXNJVCSXVCAAC-CYBMUJFWSA-N 2 1 311.430 -1.405 20 0 DAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000573724119 373555617 /nfs/dbraw/zinc/55/56/17/373555617.db2.gz RDXNJVCSXVCAAC-CYBMUJFWSA-N 2 1 311.430 -1.405 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742589 373555801 /nfs/dbraw/zinc/55/58/01/373555801.db2.gz ZBUPNYMVEHLLTF-OLZOCXBDSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742589 373555806 /nfs/dbraw/zinc/55/58/06/373555806.db2.gz ZBUPNYMVEHLLTF-OLZOCXBDSA-N 2 1 323.459 -1.074 20 0 DAADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742589 373555807 /nfs/dbraw/zinc/55/58/07/373555807.db2.gz ZBUPNYMVEHLLTF-OLZOCXBDSA-N 2 1 323.459 -1.074 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000575812437 373566567 /nfs/dbraw/zinc/56/65/67/373566567.db2.gz LXMDBYCRSPTYIO-VXGBXAGGSA-N 2 1 309.432 -1.322 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002593 373568341 /nfs/dbraw/zinc/56/83/41/373568341.db2.gz ZQWNEJAPIVADLA-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)C1 ZINC000576002593 373568345 /nfs/dbraw/zinc/56/83/45/373568345.db2.gz ZQWNEJAPIVADLA-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP COC(=O)C[C@H](N)C(=O)NC[C@H]1CCCN(CC(=O)OC)C1 ZINC000576753497 373570132 /nfs/dbraw/zinc/57/01/32/373570132.db2.gz VUHXXIGHPHYGFI-MNOVXSKESA-N 2 1 315.370 -1.122 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000618306137 373630391 /nfs/dbraw/zinc/63/03/91/373630391.db2.gz UMLKDKGYRKSPIN-LBPRGKRZSA-N 2 1 300.403 -1.205 20 0 DAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000618306137 373630398 /nfs/dbraw/zinc/63/03/98/373630398.db2.gz UMLKDKGYRKSPIN-LBPRGKRZSA-N 2 1 300.403 -1.205 20 0 DAADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000622031104 373653410 /nfs/dbraw/zinc/65/34/10/373653410.db2.gz HNVSHZBNWDJRHL-BCUIYNNISA-N 2 1 322.409 -1.396 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000627349264 373655744 /nfs/dbraw/zinc/65/57/44/373655744.db2.gz HZVGQJTXMAYYLL-YPMHNXCESA-N 2 1 312.414 -1.063 20 0 DAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000581727255 373603658 /nfs/dbraw/zinc/60/36/58/373603658.db2.gz VPRJRBPTUYSGAD-AAEUAGOBSA-N 2 1 322.413 -1.008 20 0 DAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000627349167 373656765 /nfs/dbraw/zinc/65/67/65/373656765.db2.gz FGNKRGVBPFJLPP-UTUOFQBUSA-N 2 1 310.398 -1.168 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627352903 373657047 /nfs/dbraw/zinc/65/70/47/373657047.db2.gz LXYRDCJLLXFAMY-RYUDHWBXSA-N 2 1 300.403 -1.063 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627361356 373671479 /nfs/dbraw/zinc/67/14/79/373671479.db2.gz MKBMBLUZLKMYHX-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000627464025 373680013 /nfs/dbraw/zinc/68/00/13/373680013.db2.gz PDKMLFPQNIZJHE-STQMWFEESA-N 2 1 312.414 -1.109 20 0 DAADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473375 373682364 /nfs/dbraw/zinc/68/23/64/373682364.db2.gz MHOKKXJJHSWCPJ-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475675 373684164 /nfs/dbraw/zinc/68/41/64/373684164.db2.gz RYDBCKSIWMXRKY-CHWSQXEVSA-N 2 1 312.414 -1.061 20 0 DAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627504371 373688283 /nfs/dbraw/zinc/68/82/83/373688283.db2.gz KTYJMACHAKPSNA-ZIAGYGMSSA-N 2 1 323.441 -1.297 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098979 373728753 /nfs/dbraw/zinc/72/87/53/373728753.db2.gz HIWLLVVGOAZHOP-AVGNSLFASA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098979 373728760 /nfs/dbraw/zinc/72/87/60/373728760.db2.gz HIWLLVVGOAZHOP-AVGNSLFASA-N 2 1 324.425 -1.137 20 0 DAADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102713 373729588 /nfs/dbraw/zinc/72/95/88/373729588.db2.gz XGOZZFHHXQAZMG-RDBSUJKOSA-N 2 1 322.409 -1.260 20 0 DAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000633121612 373730319 /nfs/dbraw/zinc/73/03/19/373730319.db2.gz ZLDXCDFQYVJDDU-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000633121612 373730325 /nfs/dbraw/zinc/73/03/25/373730325.db2.gz ZLDXCDFQYVJDDU-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCO ZINC000633115944 373730872 /nfs/dbraw/zinc/73/08/72/373730872.db2.gz YSIXLABEBHKXQN-BETUJISGSA-N 2 1 324.425 -1.136 20 0 DAADMP CC1(C)CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CCO ZINC000633115944 373730877 /nfs/dbraw/zinc/73/08/77/373730877.db2.gz YSIXLABEBHKXQN-BETUJISGSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000633121609 373730930 /nfs/dbraw/zinc/73/09/30/373730930.db2.gz ZLDXCDFQYVJDDU-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000633121609 373730935 /nfs/dbraw/zinc/73/09/35/373730935.db2.gz ZLDXCDFQYVJDDU-NEPJUHHUSA-N 2 1 312.414 -1.150 20 0 DAADMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000633112396 373731291 /nfs/dbraw/zinc/73/12/91/373731291.db2.gz YUXDVGZCHKESFS-MELADBBJSA-N 2 1 324.425 -1.006 20 0 DAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627393161 545828863 /nfs/dbraw/zinc/82/88/63/545828863.db2.gz QFJDSDMLCYTHSX-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380817 545829266 /nfs/dbraw/zinc/82/92/66/545829266.db2.gz ZLTIHCKXVLWJBQ-STQMWFEESA-N 2 1 310.398 -1.309 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627384809 545829484 /nfs/dbraw/zinc/82/94/84/545829484.db2.gz PFPBWPUODFGANK-GFCCVEGCSA-N 2 1 316.402 -1.825 20 0 DAADMP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487508 782006646 /nfs/dbraw/zinc/00/66/46/782006646.db2.gz AHLIJIQYBJCZKG-RYUDHWBXSA-N 2 1 300.403 -1.029 20 0 DAADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653131057 409328430 /nfs/dbraw/zinc/32/84/30/409328430.db2.gz WKZXSOXKAGJUBN-ZENOOKHLSA-N 2 1 322.409 -1.355 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653109916 409328567 /nfs/dbraw/zinc/32/85/67/409328567.db2.gz RFKNCQQGRVDGQV-WFASDCNBSA-N 2 1 310.398 -1.497 20 0 DAADMP CC(C)([NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092183 409328976 /nfs/dbraw/zinc/32/89/76/409328976.db2.gz QKXBIUOIKSVXSN-UHFFFAOYSA-N 2 1 304.416 -1.440 20 0 DAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655297540 409329232 /nfs/dbraw/zinc/32/92/32/409329232.db2.gz LNPOBDPWXNYNEY-HZSPNIEDSA-N 2 1 324.425 -1.326 20 0 DAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653110308 409329369 /nfs/dbraw/zinc/32/93/69/409329369.db2.gz CDVAZKZKJNLETM-NHYWBVRUSA-N 2 1 310.398 -1.451 20 0 DAADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092212 409329613 /nfs/dbraw/zinc/32/96/13/409329613.db2.gz YTMHVRVFMPMGAH-NSHDSACASA-N 2 1 316.427 -1.570 20 0 DAADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577986 409327153 /nfs/dbraw/zinc/32/71/53/409327153.db2.gz OBJGYUXDOSFIGY-NWDGAFQWSA-N 2 1 316.427 -1.440 20 0 DAADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636746318 409386328 /nfs/dbraw/zinc/38/63/28/409386328.db2.gz GPNRJIZTIWPAGC-ZIAGYGMSSA-N 2 1 313.446 -1.012 20 0 DAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)C)CC1=O ZINC000348837063 409402123 /nfs/dbraw/zinc/40/21/23/409402123.db2.gz GGDFGTMEVCDFAT-LBPRGKRZSA-N 2 1 300.403 -1.157 20 0 DAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638126369 409405100 /nfs/dbraw/zinc/40/51/00/409405100.db2.gz ULKNYSVUVVAEOT-HNNXBMFYSA-N 2 1 312.414 -1.013 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343300230 409426587 /nfs/dbraw/zinc/42/65/87/409426587.db2.gz IAWDNBKBFYMPKR-ZDUSSCGKSA-N 2 1 311.430 -1.441 20 0 DAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343300230 409426591 /nfs/dbraw/zinc/42/65/91/409426591.db2.gz IAWDNBKBFYMPKR-ZDUSSCGKSA-N 2 1 311.430 -1.441 20 0 DAADMP O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CC[NH2+]CC1 ZINC000647990795 409427898 /nfs/dbraw/zinc/42/78/98/409427898.db2.gz IDEYDMJXTHRMGB-NSHDSACASA-N 2 1 309.370 -2.549 20 0 DAADMP O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CC[NH2+]CC1 ZINC000647990795 409427904 /nfs/dbraw/zinc/42/79/04/409427904.db2.gz IDEYDMJXTHRMGB-NSHDSACASA-N 2 1 309.370 -2.549 20 0 DAADMP O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000647990794 409428479 /nfs/dbraw/zinc/42/84/79/409428479.db2.gz IDEYDMJXTHRMGB-LLVKDONJSA-N 2 1 309.370 -2.549 20 0 DAADMP O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000647990794 409428480 /nfs/dbraw/zinc/42/84/80/409428480.db2.gz IDEYDMJXTHRMGB-LLVKDONJSA-N 2 1 309.370 -2.549 20 0 DAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332491546 409461124 /nfs/dbraw/zinc/46/11/24/409461124.db2.gz VIRJBFBIGHHSBS-UONOGXRCSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353574756 409473572 /nfs/dbraw/zinc/47/35/72/409473572.db2.gz DAEBBZAMWBYTGS-CHWSQXEVSA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353574756 409473577 /nfs/dbraw/zinc/47/35/77/409473577.db2.gz DAEBBZAMWBYTGS-CHWSQXEVSA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353574766 409475825 /nfs/dbraw/zinc/47/58/25/409475825.db2.gz DAEBBZAMWBYTGS-STQMWFEESA-N 2 1 311.430 -1.182 20 0 DAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353574766 409475840 /nfs/dbraw/zinc/47/58/40/409475840.db2.gz DAEBBZAMWBYTGS-STQMWFEESA-N 2 1 311.430 -1.182 20 0 DAADMP O=C([C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000428624528 409558852 /nfs/dbraw/zinc/55/88/52/409558852.db2.gz IUDUSWAFTFTATK-CHWSQXEVSA-N 2 1 310.398 -1.355 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1 ZINC000372680855 409515232 /nfs/dbraw/zinc/51/52/32/409515232.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1 ZINC000372680855 409515240 /nfs/dbraw/zinc/51/52/40/409515240.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1 ZINC000372680856 409516693 /nfs/dbraw/zinc/51/66/93/409516693.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1 ZINC000372680856 409516700 /nfs/dbraw/zinc/51/67/00/409516700.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 1 312.414 -1.013 20 0 DAADMP CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374861323 409520148 /nfs/dbraw/zinc/52/01/48/409520148.db2.gz HOSCNBOWZMBFMK-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374861323 409520151 /nfs/dbraw/zinc/52/01/51/409520151.db2.gz HOSCNBOWZMBFMK-GFCCVEGCSA-N 2 1 318.443 -1.226 20 0 DAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000659738185 409534894 /nfs/dbraw/zinc/53/48/94/409534894.db2.gz BEQLPUSKJBSGLM-STQMWFEESA-N 2 1 311.430 -1.312 20 0 DAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430965852 409535207 /nfs/dbraw/zinc/53/52/07/409535207.db2.gz LMQBVBREUVQFLU-CYBMUJFWSA-N 2 1 311.430 -1.501 20 0 DAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430965852 409535215 /nfs/dbraw/zinc/53/52/15/409535215.db2.gz LMQBVBREUVQFLU-CYBMUJFWSA-N 2 1 311.430 -1.501 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420179806 409539009 /nfs/dbraw/zinc/53/90/09/409539009.db2.gz GNBSCALIOUGHMK-UHFFFAOYSA-N 2 1 312.414 -1.107 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000419992887 409540697 /nfs/dbraw/zinc/54/06/97/409540697.db2.gz DCTGNRAGCIVEMZ-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000419992887 409540702 /nfs/dbraw/zinc/54/07/02/409540702.db2.gz DCTGNRAGCIVEMZ-GHMZBOCLSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423266367 409545051 /nfs/dbraw/zinc/54/50/51/409545051.db2.gz BUYSUQKOSHBWSC-RWMBFGLXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000423266367 409545057 /nfs/dbraw/zinc/54/50/57/409545057.db2.gz BUYSUQKOSHBWSC-RWMBFGLXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466439 409546349 /nfs/dbraw/zinc/54/63/49/409546349.db2.gz NOIISJDGRMQFCQ-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466439 409546357 /nfs/dbraw/zinc/54/63/57/409546357.db2.gz NOIISJDGRMQFCQ-RYUDHWBXSA-N 2 1 312.414 -1.150 20 0 DAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659739021 409699594 /nfs/dbraw/zinc/69/95/94/409699594.db2.gz DKZWWIPJPUNLCA-XWAURUHHSA-N 2 1 308.382 -1.868 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000568998309 409658416 /nfs/dbraw/zinc/65/84/16/409658416.db2.gz TYTKNJPQSYOEHY-UONOGXRCSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000568998309 409658424 /nfs/dbraw/zinc/65/84/24/409658424.db2.gz TYTKNJPQSYOEHY-UONOGXRCSA-N 2 1 317.430 -1.038 20 0 DAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000568998309 409658431 /nfs/dbraw/zinc/65/84/31/409658431.db2.gz TYTKNJPQSYOEHY-UONOGXRCSA-N 2 1 317.430 -1.038 20 0 DAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576292252 409660393 /nfs/dbraw/zinc/66/03/93/409660393.db2.gz ISBUXYXCNUBKEA-WDEREUQCSA-N 2 1 312.370 -1.748 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659693874 409688681 /nfs/dbraw/zinc/68/86/81/409688681.db2.gz CNRCTEKROBCIIB-LLVKDONJSA-N 2 1 313.402 -2.009 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@H+](C)CCO1 ZINC000659696164 409688788 /nfs/dbraw/zinc/68/87/88/409688788.db2.gz JQQSKCLYSXLOKU-DILZAHMFSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1C[N@@H+](C)CCO1 ZINC000659696164 409688795 /nfs/dbraw/zinc/68/87/95/409688795.db2.gz JQQSKCLYSXLOKU-DILZAHMFSA-N 2 1 310.398 -1.229 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000659691620 409689101 /nfs/dbraw/zinc/68/91/01/409689101.db2.gz LOIUAGZWQHMPGL-VXGBXAGGSA-N 2 1 300.403 -1.205 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659683247 409689399 /nfs/dbraw/zinc/68/93/99/409689399.db2.gz WRFHUBCBRLVUKJ-IJLUTSLNSA-N 2 1 315.393 -1.754 20 0 DAADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000659681893 409690172 /nfs/dbraw/zinc/69/01/72/409690172.db2.gz DHRWARQBUFYXGD-CHWSQXEVSA-N 2 1 313.446 -1.162 20 0 DAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)n1C ZINC000659674347 409690235 /nfs/dbraw/zinc/69/02/35/409690235.db2.gz GDHPKBKSEKWCIC-UHFFFAOYSA-N 2 1 320.397 -1.030 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659706873 409690266 /nfs/dbraw/zinc/69/02/66/409690266.db2.gz QYMBWXRGDBTGFH-AVERBVTBSA-N 2 1 310.398 -1.309 20 0 DAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659709135 409691170 /nfs/dbraw/zinc/69/11/70/409691170.db2.gz FAUMFIPMCCTJMP-VXGBXAGGSA-N 2 1 310.398 -1.179 20 0 DAADMP Cc1cc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)no1 ZINC000584361812 409767092 /nfs/dbraw/zinc/76/70/92/409767092.db2.gz DVINTTJOXWJSSU-GHMZBOCLSA-N 2 1 307.354 -0.445 20 0 DAADMP Cc1cc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)no1 ZINC000584361812 409767106 /nfs/dbraw/zinc/76/71/06/409767106.db2.gz DVINTTJOXWJSSU-GHMZBOCLSA-N 2 1 307.354 -0.445 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193781063 782016694 /nfs/dbraw/zinc/01/66/94/782016694.db2.gz IDMITAFFEPGDPY-MCIONIFRSA-N 2 1 315.414 -1.503 20 0 DAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193781063 782016702 /nfs/dbraw/zinc/01/67/02/782016702.db2.gz IDMITAFFEPGDPY-MCIONIFRSA-N 2 1 315.414 -1.503 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821940 782018932 /nfs/dbraw/zinc/01/89/32/782018932.db2.gz UCOGAIJTRUJWFX-BFHYXJOUSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821940 782018934 /nfs/dbraw/zinc/01/89/34/782018934.db2.gz UCOGAIJTRUJWFX-BFHYXJOUSA-N 2 1 315.414 -1.361 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821940 782018941 /nfs/dbraw/zinc/01/89/41/782018941.db2.gz UCOGAIJTRUJWFX-BFHYXJOUSA-N 2 1 315.414 -1.361 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685337242 545893479 /nfs/dbraw/zinc/89/34/79/545893479.db2.gz HETKAVRAPPUESQ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337242 545893482 /nfs/dbraw/zinc/89/34/82/545893482.db2.gz HETKAVRAPPUESQ-VXGBXAGGSA-N 2 1 300.403 -1.158 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001146 782025577 /nfs/dbraw/zinc/02/55/77/782025577.db2.gz FHEJARMWWIQSDS-MNOVXSKESA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001146 782025585 /nfs/dbraw/zinc/02/55/85/782025585.db2.gz FHEJARMWWIQSDS-MNOVXSKESA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001146 782025590 /nfs/dbraw/zinc/02/55/90/782025590.db2.gz FHEJARMWWIQSDS-MNOVXSKESA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001146 782025601 /nfs/dbraw/zinc/02/56/01/782025601.db2.gz FHEJARMWWIQSDS-MNOVXSKESA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001147 782026381 /nfs/dbraw/zinc/02/63/81/782026381.db2.gz FHEJARMWWIQSDS-QWRGUYRKSA-N 2 1 311.386 -1.334 20 0 DAADMP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001147 782026386 /nfs/dbraw/zinc/02/63/86/782026386.db2.gz FHEJARMWWIQSDS-QWRGUYRKSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001147 782026394 /nfs/dbraw/zinc/02/63/94/782026394.db2.gz FHEJARMWWIQSDS-QWRGUYRKSA-N 2 1 311.386 -1.334 20 0 DAADMP C[NH+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001147 782026401 /nfs/dbraw/zinc/02/64/01/782026401.db2.gz FHEJARMWWIQSDS-QWRGUYRKSA-N 2 1 311.386 -1.334 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001194102417 782028211 /nfs/dbraw/zinc/02/82/11/782028211.db2.gz KLNKYEBUOHELND-CHWSQXEVSA-N 2 1 315.414 -1.502 20 0 DAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194102417 782028216 /nfs/dbraw/zinc/02/82/16/782028216.db2.gz KLNKYEBUOHELND-CHWSQXEVSA-N 2 1 315.414 -1.502 20 0 DAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001194244029 782032829 /nfs/dbraw/zinc/03/28/29/782032829.db2.gz IDTDPDUNAYLFHD-JHJVBQTASA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001194244029 782032837 /nfs/dbraw/zinc/03/28/37/782032837.db2.gz IDTDPDUNAYLFHD-JHJVBQTASA-N 2 1 317.430 -1.115 20 0 DAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001194244029 782032843 /nfs/dbraw/zinc/03/28/43/782032843.db2.gz IDTDPDUNAYLFHD-JHJVBQTASA-N 2 1 317.430 -1.115 20 0 DAADMP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCOCC1 ZINC000351553288 262554882 /nfs/dbraw/zinc/55/48/82/262554882.db2.gz AOVZWQJLBKYYRZ-STQMWFEESA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@]1(C(N)=O)CC[NH+](CC(O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361556032 263220013 /nfs/dbraw/zinc/22/00/13/263220013.db2.gz DTAZAAUUSUNNGZ-HUUCEWRRSA-N 2 1 312.414 -1.258 20 0 DAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419417086 263226143 /nfs/dbraw/zinc/22/61/43/263226143.db2.gz WPGYYAVIWRZSKK-OLZOCXBDSA-N 2 1 312.414 -1.061 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000362784207 263230049 /nfs/dbraw/zinc/23/00/49/263230049.db2.gz AOUDGWOASMGLIZ-CHWSQXEVSA-N 2 1 312.414 -1.251 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877791 263230385 /nfs/dbraw/zinc/23/03/85/263230385.db2.gz IQJQMPYXIGIJIL-RYUDHWBXSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877791 263230387 /nfs/dbraw/zinc/23/03/87/263230387.db2.gz IQJQMPYXIGIJIL-RYUDHWBXSA-N 2 1 312.414 -1.232 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000351505069 263230402 /nfs/dbraw/zinc/23/04/02/263230402.db2.gz LOENNUDXIHEWJB-UONOGXRCSA-N 2 1 315.414 -1.095 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000332597784 263233956 /nfs/dbraw/zinc/23/39/56/263233956.db2.gz MMTQQPWEPGLVJS-OLZOCXBDSA-N 2 1 310.398 -1.131 20 0 DAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000332597784 263233958 /nfs/dbraw/zinc/23/39/58/263233958.db2.gz MMTQQPWEPGLVJS-OLZOCXBDSA-N 2 1 310.398 -1.131 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000423381700 263235947 /nfs/dbraw/zinc/23/59/47/263235947.db2.gz NWUOVNHHYHKGLB-STQMWFEESA-N 2 1 312.414 -1.029 20 0 DAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000423381700 263235949 /nfs/dbraw/zinc/23/59/49/263235949.db2.gz NWUOVNHHYHKGLB-STQMWFEESA-N 2 1 312.414 -1.029 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000331208094 263238008 /nfs/dbraw/zinc/23/80/08/263238008.db2.gz FOZWJVSXSCBPPU-JSGCOSHPSA-N 2 1 301.387 -1.484 20 0 DAADMP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000347004476 263239315 /nfs/dbraw/zinc/23/93/15/263239315.db2.gz ODTMAJJRBLMEBJ-UHFFFAOYSA-N 2 1 309.370 -2.052 20 0 DAADMP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000347004476 263239316 /nfs/dbraw/zinc/23/93/16/263239316.db2.gz ODTMAJJRBLMEBJ-UHFFFAOYSA-N 2 1 309.370 -2.052 20 0 DAADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040117 263239322 /nfs/dbraw/zinc/23/93/22/263239322.db2.gz LBCRZMMHKBIQKE-ZYHUDNBSSA-N 2 1 318.443 -1.194 20 0 DAADMP O=C(C[NH2+]C1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516650058 263239997 /nfs/dbraw/zinc/23/99/97/263239997.db2.gz JQCOZXPUFYXOMX-UHFFFAOYSA-N 2 1 302.400 -1.816 20 0 DAADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424048429 263248318 /nfs/dbraw/zinc/24/83/18/263248318.db2.gz YVOIJTLPEBOJST-SNVBAGLBSA-N 2 1 316.427 -1.427 20 0 DAADMP CN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)N1CCNCC1 ZINC000261985350 263249470 /nfs/dbraw/zinc/24/94/70/263249470.db2.gz SAFOOMTYTOOSBH-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP C[NH2+]C[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034715 263250655 /nfs/dbraw/zinc/25/06/55/263250655.db2.gz BEWPIGACBUQUGJ-SNVBAGLBSA-N 2 1 304.416 -1.712 20 0 DAADMP O=C([C@@H]1C[NH2+]CCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046814 263251125 /nfs/dbraw/zinc/25/11/25/263251125.db2.gz WJMZYLYAXBQJHB-NSHDSACASA-N 2 1 318.399 -2.579 20 0 DAADMP C[C@@H](O)CN1CCN(C(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1 ZINC000423681650 263251696 /nfs/dbraw/zinc/25/16/96/263251696.db2.gz OGSVCRSJCMNQMF-RWMBFGLXSA-N 2 1 312.414 -1.280 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332010441 263251721 /nfs/dbraw/zinc/25/17/21/263251721.db2.gz JXWWHTALWRBQSO-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332010441 263251722 /nfs/dbraw/zinc/25/17/22/263251722.db2.gz JXWWHTALWRBQSO-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374861324 263253552 /nfs/dbraw/zinc/25/35/52/263253552.db2.gz HOSCNBOWZMBFMK-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374861324 263253555 /nfs/dbraw/zinc/25/35/55/263253555.db2.gz HOSCNBOWZMBFMK-LBPRGKRZSA-N 2 1 318.443 -1.226 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419288677 263256272 /nfs/dbraw/zinc/25/62/72/263256272.db2.gz RVGSYGWZEKDSMF-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@@H](CNC(=O)CN1CCNCC1=O)CN1CC[NH+](C)CC1 ZINC000431015081 263260516 /nfs/dbraw/zinc/26/05/16/263260516.db2.gz MSDQBXLEQJZXOA-ZDUSSCGKSA-N 2 1 311.430 -1.582 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466441 263267374 /nfs/dbraw/zinc/26/73/74/263267374.db2.gz NOIISJDGRMQFCQ-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466441 263267377 /nfs/dbraw/zinc/26/73/77/263267377.db2.gz NOIISJDGRMQFCQ-VXGBXAGGSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423746832 263280322 /nfs/dbraw/zinc/28/03/22/263280322.db2.gz PQIGHUOORYZVKF-FVCCEPFGSA-N 2 1 312.414 -1.295 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423746832 263280324 /nfs/dbraw/zinc/28/03/24/263280324.db2.gz PQIGHUOORYZVKF-FVCCEPFGSA-N 2 1 312.414 -1.295 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000423542144 263280930 /nfs/dbraw/zinc/28/09/30/263280930.db2.gz SYNIRUBNDWKSAL-LBPRGKRZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000423542144 263280931 /nfs/dbraw/zinc/28/09/31/263280931.db2.gz SYNIRUBNDWKSAL-LBPRGKRZSA-N 2 1 314.430 -1.032 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000420019959 263292971 /nfs/dbraw/zinc/29/29/71/263292971.db2.gz DCTGNRAGCIVEMZ-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000420019959 263292974 /nfs/dbraw/zinc/29/29/74/263292974.db2.gz DCTGNRAGCIVEMZ-QWRGUYRKSA-N 2 1 300.403 -1.247 20 0 DAADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000436063608 263296355 /nfs/dbraw/zinc/29/63/55/263296355.db2.gz UODOTMFQCRYKDC-LLVKDONJSA-N 2 1 311.386 -1.142 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])CCO)C1 ZINC000342398371 263298007 /nfs/dbraw/zinc/29/80/07/263298007.db2.gz GEQYJMUUFKGLLP-CQSZACIVSA-N 2 1 316.446 -1.288 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423537816 263301728 /nfs/dbraw/zinc/30/17/28/263301728.db2.gz LDFSFEFMGYSOTK-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423537816 263301729 /nfs/dbraw/zinc/30/17/29/263301729.db2.gz LDFSFEFMGYSOTK-LLVKDONJSA-N 2 1 300.403 -1.293 20 0 DAADMP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000419878585 263302428 /nfs/dbraw/zinc/30/24/28/263302428.db2.gz RYPKNTNULSBYPY-UHFFFAOYSA-N 2 1 300.403 -1.373 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419702778 263303902 /nfs/dbraw/zinc/30/39/02/263303902.db2.gz BYPJGTOSSOUXJG-AVGNSLFASA-N 2 1 312.414 -1.063 20 0 DAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357930949 263308163 /nfs/dbraw/zinc/30/81/63/263308163.db2.gz WCFORBFNTCSUGC-AGIUHOORSA-N 2 1 312.414 -1.232 20 0 DAADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358724279 263308637 /nfs/dbraw/zinc/30/86/37/263308637.db2.gz QRMHSXYDCCBNTD-HIFRSBDPSA-N 2 1 313.446 -1.012 20 0 DAADMP CC(C)N1CCO[C@@H](C(=O)NC[C@@H](O)CN2CCOCC2)C1 ZINC000346154626 263315149 /nfs/dbraw/zinc/31/51/49/263315149.db2.gz REBXSPHEIHOMRH-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP CN(C)c1[nH+]cc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)n1C ZINC000351534550 263317269 /nfs/dbraw/zinc/31/72/69/263317269.db2.gz DBVPXJOKQIUAMH-LLVKDONJSA-N 2 1 308.386 -1.030 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352798044 263325650 /nfs/dbraw/zinc/32/56/50/263325650.db2.gz XCKIXSRNFPTLRU-CRWXNKLISA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352798044 263325652 /nfs/dbraw/zinc/32/56/52/263325652.db2.gz XCKIXSRNFPTLRU-CRWXNKLISA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352798044 263325653 /nfs/dbraw/zinc/32/56/53/263325653.db2.gz XCKIXSRNFPTLRU-CRWXNKLISA-N 2 1 304.387 -1.614 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195701701 782077579 /nfs/dbraw/zinc/07/75/79/782077579.db2.gz QHJXOKMUAUPFOV-CHWSQXEVSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001195859005 782085543 /nfs/dbraw/zinc/08/55/43/782085543.db2.gz AHOUUBVLSBHIOF-YNEHKIRRSA-N 2 1 322.413 -1.122 20 0 DAADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860195 782085635 /nfs/dbraw/zinc/08/56/35/782085635.db2.gz TWLWJGVKUUODRJ-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195860195 782085644 /nfs/dbraw/zinc/08/56/44/782085644.db2.gz TWLWJGVKUUODRJ-FRRDWIJNSA-N 2 1 312.414 -1.280 20 0 DAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327010 /nfs/dbraw/zinc/32/70/10/332327010.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 3 1 316.446 -1.289 20 0 DAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000187986359 333007461 /nfs/dbraw/zinc/00/74/61/333007461.db2.gz NUOLMIYTZUTRBS-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP COCCOC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000571277750 333694362 /nfs/dbraw/zinc/69/43/62/333694362.db2.gz TZLZZDBSRINZRH-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000582419184 336971338 /nfs/dbraw/zinc/97/13/38/336971338.db2.gz OUTUGHNNNJLZHO-QWHCGFSZSA-N 2 1 312.414 -1.014 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947993 782143481 /nfs/dbraw/zinc/14/34/81/782143481.db2.gz BQGYCJMPYHSOGN-MGPQQGTHSA-N 2 1 317.430 -1.113 20 0 DAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197948090 782144224 /nfs/dbraw/zinc/14/42/24/782144224.db2.gz FNMLZRIEUXRPBL-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001198029709 782147523 /nfs/dbraw/zinc/14/75/23/782147523.db2.gz WCWPGWFVLWHETJ-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198029709 782147527 /nfs/dbraw/zinc/14/75/27/782147527.db2.gz WCWPGWFVLWHETJ-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198029709 782147532 /nfs/dbraw/zinc/14/75/32/782147532.db2.gz WCWPGWFVLWHETJ-JHJVBQTASA-N 2 1 303.403 -1.503 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152433217 782153833 /nfs/dbraw/zinc/15/38/33/782153833.db2.gz YAMNYKJGIGYTOY-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000517731288 545646619 /nfs/dbraw/zinc/64/66/19/545646619.db2.gz VDMCHXBXNWYFSU-CYBMUJFWSA-N 2 1 311.430 -1.360 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662939173 545649201 /nfs/dbraw/zinc/64/92/01/545649201.db2.gz DKPCVOFIJLLMHO-CYBMUJFWSA-N 2 1 312.414 -1.026 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351556835 545723285 /nfs/dbraw/zinc/72/32/85/545723285.db2.gz HPBPVHCQLVKUQF-LBPRGKRZSA-N 2 1 300.403 -1.061 20 0 DAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000331577064 545726817 /nfs/dbraw/zinc/72/68/17/545726817.db2.gz WHRIIWKOMQPMNU-ZIAGYGMSSA-N 2 1 323.441 -1.297 20 0 DAADMP C[NH2+]C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659641529 545733090 /nfs/dbraw/zinc/73/30/90/545733090.db2.gz GTGLQSCRXRDSCQ-SNVBAGLBSA-N 2 1 319.431 -1.777 20 0 DAADMP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419694322 545766965 /nfs/dbraw/zinc/76/69/65/545766965.db2.gz KOGNFJUROAWGFN-UBHSHLNASA-N 2 1 324.425 -1.089 20 0 DAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419418234 545767241 /nfs/dbraw/zinc/76/72/41/545767241.db2.gz YAOLIHDNRYPSFS-GFCCVEGCSA-N 2 1 300.403 -1.386 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000423648036 545773065 /nfs/dbraw/zinc/77/30/65/545773065.db2.gz NPMBEUNVBBALBZ-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000423648036 545773070 /nfs/dbraw/zinc/77/30/70/545773070.db2.gz NPMBEUNVBBALBZ-FRRDWIJNSA-N 2 1 312.414 -1.150 20 0 DAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649335457 545801837 /nfs/dbraw/zinc/80/18/37/545801837.db2.gz DHIVQXOYBBXMNR-KBXIAJHMSA-N 2 1 308.426 -1.026 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000649473888 545803912 /nfs/dbraw/zinc/80/39/12/545803912.db2.gz SBLANKNWEMWLMS-YNEHKIRRSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000649473888 545803921 /nfs/dbraw/zinc/80/39/21/545803921.db2.gz SBLANKNWEMWLMS-YNEHKIRRSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000649473888 545803930 /nfs/dbraw/zinc/80/39/30/545803930.db2.gz SBLANKNWEMWLMS-YNEHKIRRSA-N 2 1 312.414 -1.232 20 0 DAADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656022238 545810019 /nfs/dbraw/zinc/81/00/19/545810019.db2.gz WSRBVTPQOYFIBL-FVCCEPFGSA-N 2 1 310.398 -1.350 20 0 DAADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656022339 545810508 /nfs/dbraw/zinc/81/05/08/545810508.db2.gz WSRBVTPQOYFIBL-MROQNXINSA-N 2 1 310.398 -1.350 20 0 DAADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025592 545811003 /nfs/dbraw/zinc/81/10/03/545811003.db2.gz OBHPCJUWAAOTOR-RWMBFGLXSA-N 2 1 312.414 -1.103 20 0 DAADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000656023991 545811773 /nfs/dbraw/zinc/81/17/73/545811773.db2.gz GWDGYUIQWWPUKI-BFHYXJOUSA-N 2 1 324.425 -1.103 20 0 DAADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000656023992 545811796 /nfs/dbraw/zinc/81/17/96/545811796.db2.gz GWDGYUIQWWPUKI-MJBXVCDLSA-N 2 1 324.425 -1.103 20 0 DAADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021758 545812004 /nfs/dbraw/zinc/81/20/04/545812004.db2.gz JELTWCVMNCFAHS-QWHCGFSZSA-N 2 1 312.414 -1.232 20 0 DAADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025591 545812028 /nfs/dbraw/zinc/81/20/28/545812028.db2.gz OBHPCJUWAAOTOR-FRRDWIJNSA-N 2 1 312.414 -1.103 20 0 DAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025380 545812077 /nfs/dbraw/zinc/81/20/77/545812077.db2.gz JBADGHOMNIVVPC-NWDGAFQWSA-N 2 1 314.386 -2.384 20 0 DAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068160 545812572 /nfs/dbraw/zinc/81/25/72/545812572.db2.gz QEWXFBIOAYIAND-UONOGXRCSA-N 2 1 324.425 -1.182 20 0 DAADMP CCCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000656105252 545815099 /nfs/dbraw/zinc/81/50/99/545815099.db2.gz ZWKHLGZTUCYCEQ-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104274 545817173 /nfs/dbraw/zinc/81/71/73/545817173.db2.gz MRUMBAPOXATALY-BFHYXJOUSA-N 2 1 324.425 -1.280 20 0 DAADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104264 545817344 /nfs/dbraw/zinc/81/73/44/545817344.db2.gz MNACRJKFURLCIR-RFQIPJPRSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH2+]1 ZINC000656103706 545817435 /nfs/dbraw/zinc/81/74/35/545817435.db2.gz BKPAWYCTFKBVFV-QNWHQSFQSA-N 2 1 310.398 -1.527 20 0 DAADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+] ZINC000656104581 545817566 /nfs/dbraw/zinc/81/75/66/545817566.db2.gz RCIKFIVOHQVXRY-XJFOESAGSA-N 2 1 324.425 -1.150 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656104561 545817702 /nfs/dbraw/zinc/81/77/02/545817702.db2.gz QLESCMSGCUFQAT-QNWHQSFQSA-N 2 1 308.382 -2.058 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000656104004 545817827 /nfs/dbraw/zinc/81/78/27/545817827.db2.gz FMHKSBYTPLTJQD-ZDEQEGDKSA-N 2 1 310.398 -1.527 20 0 DAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000656103966 545817881 /nfs/dbraw/zinc/81/78/81/545817881.db2.gz DOIMYUPAOATABB-IGQOVBAYSA-N 2 1 322.409 -1.526 20 0 DAADMP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC000656104020 545817965 /nfs/dbraw/zinc/81/79/65/545817965.db2.gz FVEBITPXSOFBGU-IGQOVBAYSA-N 2 1 324.425 -1.150 20 0 DAADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656281330 545818092 /nfs/dbraw/zinc/81/80/92/545818092.db2.gz BZBIFEXXICZEHC-QWHCGFSZSA-N 2 1 312.414 -1.278 20 0 DAADMP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000656104019 545818223 /nfs/dbraw/zinc/81/82/23/545818223.db2.gz FVEBITPXSOFBGU-FQUUOJAGSA-N 2 1 324.425 -1.150 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316184 545820187 /nfs/dbraw/zinc/82/01/87/545820187.db2.gz PVHLLXRNUPPVNE-YIYPIFLZSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316184 545820190 /nfs/dbraw/zinc/82/01/90/545820190.db2.gz PVHLLXRNUPPVNE-YIYPIFLZSA-N 2 1 324.425 -1.137 20 0 DAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1C ZINC000656316184 545820197 /nfs/dbraw/zinc/82/01/97/545820197.db2.gz PVHLLXRNUPPVNE-YIYPIFLZSA-N 2 1 324.425 -1.137 20 0 DAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308015 545820478 /nfs/dbraw/zinc/82/04/78/545820478.db2.gz ZCXXYCWNOCBWDS-QWHCGFSZSA-N 2 1 321.381 -1.415 20 0 DAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308015 545820483 /nfs/dbraw/zinc/82/04/83/545820483.db2.gz ZCXXYCWNOCBWDS-QWHCGFSZSA-N 2 1 321.381 -1.415 20 0 DAADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656303839 545820896 /nfs/dbraw/zinc/82/08/96/545820896.db2.gz NLUKJOMLLVVFPR-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP C[NH+](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656303839 545820900 /nfs/dbraw/zinc/82/09/00/545820900.db2.gz NLUKJOMLLVVFPR-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP C[NH+](CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656303839 545820904 /nfs/dbraw/zinc/82/09/04/545820904.db2.gz NLUKJOMLLVVFPR-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001199111680 782171701 /nfs/dbraw/zinc/17/17/01/782171701.db2.gz HEUYXXMTZJIFBO-CHWSQXEVSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001199111680 782171704 /nfs/dbraw/zinc/17/17/04/782171704.db2.gz HEUYXXMTZJIFBO-CHWSQXEVSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001199111680 782171708 /nfs/dbraw/zinc/17/17/08/782171708.db2.gz HEUYXXMTZJIFBO-CHWSQXEVSA-N 2 1 310.402 -1.220 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001199111680 782171711 /nfs/dbraw/zinc/17/17/11/782171711.db2.gz HEUYXXMTZJIFBO-CHWSQXEVSA-N 2 1 310.402 -1.220 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001199787905 782186479 /nfs/dbraw/zinc/18/64/79/782186479.db2.gz HOIBNDUUKLHBPC-NSHDSACASA-N 2 1 311.386 -1.144 20 0 DAADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199944102 782188947 /nfs/dbraw/zinc/18/89/47/782188947.db2.gz VFCOBUDLYXTBTE-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944102 782188955 /nfs/dbraw/zinc/18/89/55/782188955.db2.gz VFCOBUDLYXTBTE-KBPBESRZSA-N 2 1 315.414 -1.095 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000923354386 663696556 /nfs/dbraw/zinc/69/65/56/663696556.db2.gz TUZXIDKQWWLCDB-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001020933186 662345474 /nfs/dbraw/zinc/34/54/74/662345474.db2.gz CNZCJTLLDZAVBN-XYPYZODXSA-N 2 1 320.397 -1.059 20 0 DAADMP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001021047735 662349049 /nfs/dbraw/zinc/34/90/49/662349049.db2.gz NBQVATXZRCGRIZ-DCAQKATOSA-N 2 1 308.386 -1.203 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021080066 662354147 /nfs/dbraw/zinc/35/41/47/662354147.db2.gz ILLPDEHMJTUTPY-LPWJVIDDSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021080066 662354148 /nfs/dbraw/zinc/35/41/48/662354148.db2.gz ILLPDEHMJTUTPY-LPWJVIDDSA-N 2 1 310.398 -1.168 20 0 DAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970273539 662356126 /nfs/dbraw/zinc/35/61/26/662356126.db2.gz RIFFQIVXILODNY-OLZOCXBDSA-N 2 1 310.398 -1.212 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021927291 662382902 /nfs/dbraw/zinc/38/29/02/662382902.db2.gz CTEZTLVTHRLZLC-FRRDWIJNSA-N 2 1 308.386 -1.155 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001021927291 662382904 /nfs/dbraw/zinc/38/29/04/662382904.db2.gz CTEZTLVTHRLZLC-FRRDWIJNSA-N 2 1 308.386 -1.155 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928405 662382916 /nfs/dbraw/zinc/38/29/16/662382916.db2.gz PQMAVPXEDZPTMV-RNJOBUHISA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928405 662382917 /nfs/dbraw/zinc/38/29/17/662382917.db2.gz PQMAVPXEDZPTMV-RNJOBUHISA-N 2 1 310.398 -1.216 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021927172 662382950 /nfs/dbraw/zinc/38/29/50/662382950.db2.gz CAVKPYXJEMUPLY-YVECIDJPSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001021927172 662382951 /nfs/dbraw/zinc/38/29/51/662382951.db2.gz CAVKPYXJEMUPLY-YVECIDJPSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021927166 662383029 /nfs/dbraw/zinc/38/30/29/662383029.db2.gz CAVKPYXJEMUPLY-QNWHQSFQSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001021927166 662383030 /nfs/dbraw/zinc/38/30/30/662383030.db2.gz CAVKPYXJEMUPLY-QNWHQSFQSA-N 2 1 310.398 -1.168 20 0 DAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022451455 662392787 /nfs/dbraw/zinc/39/27/87/662392787.db2.gz ACHZSXJSKYTNGU-MRPGRKOTSA-N 2 1 322.409 -1.040 20 0 DAADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000234694792 662394533 /nfs/dbraw/zinc/39/45/33/662394533.db2.gz NKZLXVUHRSYFND-OLZOCXBDSA-N 2 1 303.403 -1.203 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)CC[C@@H]1C[NH3+] ZINC000926417610 662407736 /nfs/dbraw/zinc/40/77/36/662407736.db2.gz HFWHSLPLYDMKIE-NDBYEHHHSA-N 2 1 312.414 -1.389 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)CC[C@@H]1C[NH3+] ZINC000926417593 662407783 /nfs/dbraw/zinc/40/77/83/662407783.db2.gz HFWHSLPLYDMKIE-FVCCEPFGSA-N 2 1 312.414 -1.389 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001023086842 662428330 /nfs/dbraw/zinc/42/83/30/662428330.db2.gz YXLOKVOQCATIQU-SDDRHHMPSA-N 2 1 323.397 -1.273 20 0 DAADMP O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000091673350 662428377 /nfs/dbraw/zinc/42/83/77/662428377.db2.gz BADQYKHLYJPWOK-RYUDHWBXSA-N 2 1 304.416 -1.411 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023115354 662431239 /nfs/dbraw/zinc/43/12/39/662431239.db2.gz ILLPDEHMJTUTPY-RNJOBUHISA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023115354 662431243 /nfs/dbraw/zinc/43/12/43/662431243.db2.gz ILLPDEHMJTUTPY-RNJOBUHISA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023115353 662431291 /nfs/dbraw/zinc/43/12/91/662431291.db2.gz ILLPDEHMJTUTPY-QNWHQSFQSA-N 2 1 310.398 -1.168 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001023115353 662431293 /nfs/dbraw/zinc/43/12/93/662431293.db2.gz ILLPDEHMJTUTPY-QNWHQSFQSA-N 2 1 310.398 -1.168 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708515 662526808 /nfs/dbraw/zinc/52/68/08/662526808.db2.gz UHTJGBJGGGSQPA-OJROKELRSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708515 662526810 /nfs/dbraw/zinc/52/68/10/662526810.db2.gz UHTJGBJGGGSQPA-OJROKELRSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708515 662526811 /nfs/dbraw/zinc/52/68/11/662526811.db2.gz UHTJGBJGGGSQPA-OJROKELRSA-N 2 1 320.393 -1.068 20 0 DAADMP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719812 662527618 /nfs/dbraw/zinc/52/76/18/662527618.db2.gz DMCWSQJJFWTPMB-ZUWCUPBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719812 662527622 /nfs/dbraw/zinc/52/76/22/662527622.db2.gz DMCWSQJJFWTPMB-ZUWCUPBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719812 662527628 /nfs/dbraw/zinc/52/76/28/662527628.db2.gz DMCWSQJJFWTPMB-ZUWCUPBKSA-N 2 1 322.409 -1.406 20 0 DAADMP CN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719812 662527632 /nfs/dbraw/zinc/52/76/32/662527632.db2.gz DMCWSQJJFWTPMB-ZUWCUPBKSA-N 2 1 322.409 -1.406 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708516 662527984 /nfs/dbraw/zinc/52/79/84/662527984.db2.gz UHTJGBJGGGSQPA-SVPLCASGSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708516 662527985 /nfs/dbraw/zinc/52/79/85/662527985.db2.gz UHTJGBJGGGSQPA-SVPLCASGSA-N 2 1 320.393 -1.068 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708516 662527986 /nfs/dbraw/zinc/52/79/86/662527986.db2.gz UHTJGBJGGGSQPA-SVPLCASGSA-N 2 1 320.393 -1.068 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719345 662527999 /nfs/dbraw/zinc/52/79/99/662527999.db2.gz JQZIUNJOALDXAX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719345 662528000 /nfs/dbraw/zinc/52/80/00/662528000.db2.gz JQZIUNJOALDXAX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719345 662528002 /nfs/dbraw/zinc/52/80/02/662528002.db2.gz JQZIUNJOALDXAX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719345 662528003 /nfs/dbraw/zinc/52/80/03/662528003.db2.gz JQZIUNJOALDXAX-ITGHMWBKSA-N 2 1 322.409 -1.358 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798645 662532726 /nfs/dbraw/zinc/53/27/26/662532726.db2.gz CBDSWKSRPJPBRT-BYNIDDHOSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798645 662532728 /nfs/dbraw/zinc/53/27/28/662532728.db2.gz CBDSWKSRPJPBRT-BYNIDDHOSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798645 662532730 /nfs/dbraw/zinc/53/27/30/662532730.db2.gz CBDSWKSRPJPBRT-BYNIDDHOSA-N 2 1 308.382 -1.619 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798645 662532731 /nfs/dbraw/zinc/53/27/31/662532731.db2.gz CBDSWKSRPJPBRT-BYNIDDHOSA-N 2 1 308.382 -1.619 20 0 DAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000314238993 662533361 /nfs/dbraw/zinc/53/33/61/662533361.db2.gz XCKWPLHGONRSRW-AVGNSLFASA-N 2 1 319.427 -1.243 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818397 662534217 /nfs/dbraw/zinc/53/42/17/662534217.db2.gz CKAZYZUCVPBOGY-WNWFYDSVSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818397 662534221 /nfs/dbraw/zinc/53/42/21/662534221.db2.gz CKAZYZUCVPBOGY-WNWFYDSVSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818397 662534225 /nfs/dbraw/zinc/53/42/25/662534225.db2.gz CKAZYZUCVPBOGY-WNWFYDSVSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818397 662534230 /nfs/dbraw/zinc/53/42/30/662534230.db2.gz CKAZYZUCVPBOGY-WNWFYDSVSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818396 662534591 /nfs/dbraw/zinc/53/45/91/662534591.db2.gz CKAZYZUCVPBOGY-WCQYUDONSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818396 662534596 /nfs/dbraw/zinc/53/45/96/662534596.db2.gz CKAZYZUCVPBOGY-WCQYUDONSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818396 662534600 /nfs/dbraw/zinc/53/46/00/662534600.db2.gz CKAZYZUCVPBOGY-WCQYUDONSA-N 2 1 322.409 -1.360 20 0 DAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818396 662534602 /nfs/dbraw/zinc/53/46/02/662534602.db2.gz CKAZYZUCVPBOGY-WCQYUDONSA-N 2 1 322.409 -1.360 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147797 662542984 /nfs/dbraw/zinc/54/29/84/662542984.db2.gz NMIRKYTZLWPBEJ-ODXJTPSBSA-N 2 1 324.425 -1.112 20 0 DAADMP CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543223 /nfs/dbraw/zinc/54/32/23/662543223.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 2 1 310.398 -1.373 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147885 662543368 /nfs/dbraw/zinc/54/33/68/662543368.db2.gz WPURBSJGZJHCHX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147885 662543369 /nfs/dbraw/zinc/54/33/69/662543369.db2.gz WPURBSJGZJHCHX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147885 662543371 /nfs/dbraw/zinc/54/33/71/662543371.db2.gz WPURBSJGZJHCHX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147885 662543373 /nfs/dbraw/zinc/54/33/73/662543373.db2.gz WPURBSJGZJHCHX-MEBFFEOJSA-N 2 1 322.409 -1.358 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977953392 662607535 /nfs/dbraw/zinc/60/75/35/662607535.db2.gz JHSWAOSMFNNDBS-FQUUOJAGSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977953392 662607536 /nfs/dbraw/zinc/60/75/36/662607536.db2.gz JHSWAOSMFNNDBS-FQUUOJAGSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977953392 662607537 /nfs/dbraw/zinc/60/75/37/662607537.db2.gz JHSWAOSMFNNDBS-FQUUOJAGSA-N 2 1 324.425 -1.301 20 0 DAADMP CN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977953392 662607538 /nfs/dbraw/zinc/60/75/38/662607538.db2.gz JHSWAOSMFNNDBS-FQUUOJAGSA-N 2 1 324.425 -1.301 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028547595 662674896 /nfs/dbraw/zinc/67/48/96/662674896.db2.gz YWXUEVMEPSYGNA-GFCCVEGCSA-N 2 1 322.413 -1.018 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028547595 662674899 /nfs/dbraw/zinc/67/48/99/662674899.db2.gz YWXUEVMEPSYGNA-GFCCVEGCSA-N 2 1 322.413 -1.018 20 0 DAADMP CC[NH+]1CCN(C(=O)CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897834563 662745568 /nfs/dbraw/zinc/74/55/68/662745568.db2.gz JCTGAFUOSUOZIU-CQSZACIVSA-N 2 1 324.425 -1.013 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000990618088 662768216 /nfs/dbraw/zinc/76/82/16/662768216.db2.gz RGJVAXXUGGHDRP-CYBMUJFWSA-N 2 1 322.409 -1.260 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000990618088 662768219 /nfs/dbraw/zinc/76/82/19/662768219.db2.gz RGJVAXXUGGHDRP-CYBMUJFWSA-N 2 1 322.409 -1.260 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632155 662769142 /nfs/dbraw/zinc/76/91/42/662769142.db2.gz RMBNLJIFKPMBJW-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990632155 662769146 /nfs/dbraw/zinc/76/91/46/662769146.db2.gz RMBNLJIFKPMBJW-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990632155 662769150 /nfs/dbraw/zinc/76/91/50/662769150.db2.gz RMBNLJIFKPMBJW-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990632155 662769153 /nfs/dbraw/zinc/76/91/53/662769153.db2.gz RMBNLJIFKPMBJW-DGCLKSJQSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685716 662779233 /nfs/dbraw/zinc/77/92/33/662779233.db2.gz VCVDFQKNWPBEMN-WFASDCNBSA-N 2 1 312.414 -1.278 20 0 DAADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900685716 662779236 /nfs/dbraw/zinc/77/92/36/662779236.db2.gz VCVDFQKNWPBEMN-WFASDCNBSA-N 2 1 312.414 -1.278 20 0 DAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000903713239 662790158 /nfs/dbraw/zinc/79/01/58/662790158.db2.gz JEPPHIPVNSCITH-GFCCVEGCSA-N 2 1 318.443 -1.191 20 0 DAADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903574099 662790166 /nfs/dbraw/zinc/79/01/66/662790166.db2.gz OEAYCYHIAZRKDX-RYUDHWBXSA-N 2 1 307.416 -1.385 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000903601391 662790322 /nfs/dbraw/zinc/79/03/22/662790322.db2.gz JFBWRIQFWGJDOE-LBPRGKRZSA-N 2 1 306.432 -1.165 20 0 DAADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756470 662790812 /nfs/dbraw/zinc/79/08/12/662790812.db2.gz SBFDRMWLDODQDR-JMSVASOKSA-N 2 1 308.382 -1.602 20 0 DAADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC000903756470 662790815 /nfs/dbraw/zinc/79/08/15/662790815.db2.gz SBFDRMWLDODQDR-JMSVASOKSA-N 2 1 308.382 -1.602 20 0 DAADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000904305154 662791966 /nfs/dbraw/zinc/79/19/66/662791966.db2.gz GCSXFMPHJYFNIC-BETUJISGSA-N 2 1 310.398 -1.273 20 0 DAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000904959072 662792390 /nfs/dbraw/zinc/79/23/90/662792390.db2.gz KJEZIRRACOOGSC-BCUIYNNISA-N 2 1 324.425 -1.029 20 0 DAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986062 662793632 /nfs/dbraw/zinc/79/36/32/662793632.db2.gz FMOKXWLEDVZMLE-CHWSQXEVSA-N 2 1 312.414 -1.149 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989644 662793635 /nfs/dbraw/zinc/79/36/35/662793635.db2.gz MNJAKSQXIFSVQX-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904987613 662793679 /nfs/dbraw/zinc/79/36/79/662793679.db2.gz QGQMPYPZTDXBTH-IGQOVBAYSA-N 2 1 322.409 -1.383 20 0 DAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904988096 662793913 /nfs/dbraw/zinc/79/39/13/662793913.db2.gz SMMNBVKESZPRSH-IHRRRGAJSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904985405 662793924 /nfs/dbraw/zinc/79/39/24/662793924.db2.gz BCZPUDQAJGAWGA-STQMWFEESA-N 2 1 312.414 -1.278 20 0 DAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000905016557 662794000 /nfs/dbraw/zinc/79/40/00/662794000.db2.gz SMHKNZFFQNIGNJ-CJNGLKHVSA-N 2 1 324.425 -1.013 20 0 DAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000904989642 662794024 /nfs/dbraw/zinc/79/40/24/662794024.db2.gz MNJAKSQXIFSVQX-HZSPNIEDSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991067 662794251 /nfs/dbraw/zinc/79/42/51/662794251.db2.gz SMMNBVKESZPRSH-MGPQQGTHSA-N 2 1 324.425 -1.136 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH2+]1 ZINC000904991070 662794578 /nfs/dbraw/zinc/79/45/78/662794578.db2.gz SMMNBVKESZPRSH-RDBSUJKOSA-N 2 1 324.425 -1.136 20 0 DAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000905022390 662794715 /nfs/dbraw/zinc/79/47/15/662794715.db2.gz QSSRXIARNUYLDF-IHRRRGAJSA-N 2 1 324.425 -1.014 20 0 DAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000908029556 662799151 /nfs/dbraw/zinc/79/91/51/662799151.db2.gz UCTOPVSESLDAJC-OAHLLOKOSA-N 2 1 309.458 -1.014 20 0 DAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911032389 663135709 /nfs/dbraw/zinc/13/57/09/663135709.db2.gz UFBIFSXAVFARIA-XJKCOSOUSA-N 2 1 323.441 -1.312 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000911071922 663136313 /nfs/dbraw/zinc/13/63/13/663136313.db2.gz DLXWJZYSAUKNCQ-ABAIWWIYSA-N 2 1 310.398 -1.349 20 0 DAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911148681 663137277 /nfs/dbraw/zinc/13/72/77/663137277.db2.gz ZSIBYFUOAUOQIB-PVXIVEMSSA-N 2 1 324.425 -1.103 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1[NH3+] ZINC000911147005 663137334 /nfs/dbraw/zinc/13/73/34/663137334.db2.gz DQNWNVKABWAZLI-FDYHWXHSSA-N 2 1 310.398 -1.229 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911147812 663137348 /nfs/dbraw/zinc/13/73/48/663137348.db2.gz JQZFDONIBOBSID-ODXJTPSBSA-N 2 1 322.409 -1.025 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCOCC1 ZINC000911139017 663137367 /nfs/dbraw/zinc/13/73/67/663137367.db2.gz VYKTZGBGBOQIHQ-YNEHKIRRSA-N 2 1 312.414 -1.205 20 0 DAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000911148937 663137644 /nfs/dbraw/zinc/13/76/44/663137644.db2.gz SYSUEHMUCAEKTH-YNEHKIRRSA-N 2 1 310.398 -1.085 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911147444 663137783 /nfs/dbraw/zinc/13/77/83/663137783.db2.gz HTJAZGNVYIGXSZ-FDYHWXHSSA-N 2 1 310.398 -1.310 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1[NH3+] ZINC000911147010 663137837 /nfs/dbraw/zinc/13/78/37/663137837.db2.gz DQNWNVKABWAZLI-MROQNXINSA-N 2 1 310.398 -1.229 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000911163533 663138039 /nfs/dbraw/zinc/13/80/39/663138039.db2.gz WHSVFRSIGGASPC-OFTGVCEQSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163533 663138041 /nfs/dbraw/zinc/13/80/41/663138041.db2.gz WHSVFRSIGGASPC-OFTGVCEQSA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000911161000 663138161 /nfs/dbraw/zinc/13/81/61/663138161.db2.gz CXHKZBFWFIIXLX-MROQNXINSA-N 2 1 312.414 -1.207 20 0 DAADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000911161000 663138163 /nfs/dbraw/zinc/13/81/63/663138163.db2.gz CXHKZBFWFIIXLX-MROQNXINSA-N 2 1 312.414 -1.207 20 0 DAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911157947 663138177 /nfs/dbraw/zinc/13/81/77/663138177.db2.gz XERLGXDRJVAZQD-NEPJUHHUSA-N 2 1 300.403 -1.076 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000911163606 663138323 /nfs/dbraw/zinc/13/83/23/663138323.db2.gz YEYQFQKZSUMGPO-YVECIDJPSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911163606 663138326 /nfs/dbraw/zinc/13/83/26/663138326.db2.gz YEYQFQKZSUMGPO-YVECIDJPSA-N 2 1 312.414 -1.125 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000911163532 663138435 /nfs/dbraw/zinc/13/84/35/663138435.db2.gz WHSVFRSIGGASPC-OBPIAQAESA-N 2 1 310.398 -1.169 20 0 DAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000911163532 663138437 /nfs/dbraw/zinc/13/84/37/663138437.db2.gz WHSVFRSIGGASPC-OBPIAQAESA-N 2 1 310.398 -1.169 20 0 DAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187268 663138567 /nfs/dbraw/zinc/13/85/67/663138567.db2.gz NYNWXUHSDXOIEE-FRRDWIJNSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[N@@H+](C)C1CC1 ZINC000911206591 663139312 /nfs/dbraw/zinc/13/93/12/663139312.db2.gz QPJZREFALSFKQV-XHDPSFHLSA-N 2 1 312.414 -1.103 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911239889 663139475 /nfs/dbraw/zinc/13/94/75/663139475.db2.gz FKLBSGNDMGPNDT-NEPJUHHUSA-N 2 1 312.414 -1.063 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911239632 663139785 /nfs/dbraw/zinc/13/97/85/663139785.db2.gz CZLFWYPXACGWSY-WUHRBBMRSA-N 2 1 310.398 -1.168 20 0 DAADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911273199 663140042 /nfs/dbraw/zinc/14/00/42/663140042.db2.gz JFIRABHANKDHEM-MGPQQGTHSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911248169 663140063 /nfs/dbraw/zinc/14/00/63/663140063.db2.gz ULXBZELRWCHUQM-YNEHKIRRSA-N 2 1 310.398 -1.166 20 0 DAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911231233 663140160 /nfs/dbraw/zinc/14/01/60/663140160.db2.gz KTHZNAWOPFYTJL-VXGBXAGGSA-N 2 1 300.403 -1.124 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911243735 663140183 /nfs/dbraw/zinc/14/01/83/663140183.db2.gz ZDXAMEFINCHECA-MJBXVCDLSA-N 2 1 324.425 -1.109 20 0 DAADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000911273197 663140353 /nfs/dbraw/zinc/14/03/53/663140353.db2.gz JFIRABHANKDHEM-MCIONIFRSA-N 2 1 324.425 -1.103 20 0 DAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911275064 663140374 /nfs/dbraw/zinc/14/03/74/663140374.db2.gz UJQODLIBDZVQBK-UPJWGTAASA-N 2 1 310.398 -1.478 20 0 DAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911298123 663140839 /nfs/dbraw/zinc/14/08/39/663140839.db2.gz RNQCUGVHCYDTKP-AGIUHOORSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911298124 663140891 /nfs/dbraw/zinc/14/08/91/663140891.db2.gz RNQCUGVHCYDTKP-FRRDWIJNSA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911265224 663141140 /nfs/dbraw/zinc/14/11/40/663141140.db2.gz BHWNAINIRKLAHA-MGPQQGTHSA-N 2 1 324.425 -1.088 20 0 DAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911292129 663141154 /nfs/dbraw/zinc/14/11/54/663141154.db2.gz PAZTZDQYPJBBQO-JHJVBQTASA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911292130 663141192 /nfs/dbraw/zinc/14/11/92/663141192.db2.gz PAZTZDQYPJBBQO-UPJWGTAASA-N 2 1 312.414 -1.245 20 0 DAADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911298126 663141226 /nfs/dbraw/zinc/14/12/26/663141226.db2.gz RNQCUGVHCYDTKP-UPJWGTAASA-N 2 1 312.414 -1.103 20 0 DAADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282228 663141684 /nfs/dbraw/zinc/14/16/84/663141684.db2.gz OWBLWTUETGZHLH-IHRRRGAJSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282227 663141786 /nfs/dbraw/zinc/14/17/86/663141786.db2.gz OWBLWTUETGZHLH-BFHYXJOUSA-N 2 1 324.425 -1.088 20 0 DAADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282982 663142005 /nfs/dbraw/zinc/14/20/05/663142005.db2.gz FPROWPDVGUUCPL-KGLIPLIRSA-N 2 1 324.425 -1.088 20 0 DAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911337782 663142212 /nfs/dbraw/zinc/14/22/12/663142212.db2.gz WHHIQJKLUGQPPY-IUODEOHRSA-N 2 1 312.414 -1.101 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@]2(C)C1 ZINC000911312436 663142225 /nfs/dbraw/zinc/14/22/25/663142225.db2.gz XLVMKPKIBYOXOS-IOASZLSFSA-N 2 1 324.425 -1.109 20 0 DAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911348731 663142241 /nfs/dbraw/zinc/14/22/41/663142241.db2.gz REKAZMTVBQZBQU-CRWXNKLISA-N 2 1 324.425 -1.089 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911339350 663142317 /nfs/dbraw/zinc/14/23/17/663142317.db2.gz VPCDOHWVSJPDMB-AVGNSLFASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911339352 663142987 /nfs/dbraw/zinc/14/29/87/663142987.db2.gz VPCDOHWVSJPDMB-XQQFMLRXSA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911344905 663143092 /nfs/dbraw/zinc/14/30/92/663143092.db2.gz FPAOSWCPUVLVQR-SWLSCSKDSA-N 2 1 312.414 -1.251 20 0 DAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C[C@]2(C)C1 ZINC000911345305 663143129 /nfs/dbraw/zinc/14/31/29/663143129.db2.gz ICDKZOJMUAVPLC-JMSVASOKSA-N 2 1 310.398 -1.499 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911366817 663143337 /nfs/dbraw/zinc/14/33/37/663143337.db2.gz JRAJYDQGGDVVOP-SYQHCUMBSA-N 2 1 324.425 -1.232 20 0 DAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911375077 663143557 /nfs/dbraw/zinc/14/35/57/663143557.db2.gz QHGZWFQFGYXSOS-HZSPNIEDSA-N 2 1 324.425 -1.109 20 0 DAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506219 663147306 /nfs/dbraw/zinc/14/73/06/663147306.db2.gz WPHKALFGGBIDRV-LLVKDONJSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506219 663147307 /nfs/dbraw/zinc/14/73/07/663147307.db2.gz WPHKALFGGBIDRV-LLVKDONJSA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506221 663147337 /nfs/dbraw/zinc/14/73/37/663147337.db2.gz WPHKALFGGBIDRV-NSHDSACASA-N 2 1 312.414 -1.103 20 0 DAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506221 663147340 /nfs/dbraw/zinc/14/73/40/663147340.db2.gz WPHKALFGGBIDRV-NSHDSACASA-N 2 1 312.414 -1.103 20 0 DAADMP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911529666 663147358 /nfs/dbraw/zinc/14/73/58/663147358.db2.gz WGRBZDXKVVPNDM-TUAOUCFPSA-N 2 1 310.398 -1.622 20 0 DAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000911504521 663147579 /nfs/dbraw/zinc/14/75/79/663147579.db2.gz ZVYJCFPEYGWJFL-LBPRGKRZSA-N 2 1 310.398 -1.225 20 0 DAADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911543043 663148125 /nfs/dbraw/zinc/14/81/25/663148125.db2.gz SXEKRWKKSBLSAR-KIJLLGNVSA-N 2 1 308.382 -1.727 20 0 DAADMP C[NH+](C)CCn1nccc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913185262 663156340 /nfs/dbraw/zinc/15/63/40/663156340.db2.gz XUELTVJQLANFRB-AWEZNQCLSA-N 2 1 311.386 -1.475 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713943 663185134 /nfs/dbraw/zinc/18/51/34/663185134.db2.gz XAUFGEOEFCVXSS-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000991713943 663185136 /nfs/dbraw/zinc/18/51/36/663185136.db2.gz XAUFGEOEFCVXSS-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991713943 663185138 /nfs/dbraw/zinc/18/51/38/663185138.db2.gz XAUFGEOEFCVXSS-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991713943 663185141 /nfs/dbraw/zinc/18/51/41/663185141.db2.gz XAUFGEOEFCVXSS-AAEUAGOBSA-N 2 1 310.398 -1.404 20 0 DAADMP C[NH+](C)C[C@@H]1NC(=O)N(CCC[N@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000925393188 663234625 /nfs/dbraw/zinc/23/46/25/663234625.db2.gz NLRRRKHIPOTPOT-QWRGUYRKSA-N 2 1 311.386 -1.192 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915905 663237964 /nfs/dbraw/zinc/23/79/64/663237964.db2.gz SBLANKNWEMWLMS-JHJVBQTASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915905 663237967 /nfs/dbraw/zinc/23/79/67/663237967.db2.gz SBLANKNWEMWLMS-JHJVBQTASA-N 2 1 312.414 -1.232 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000913915905 663237973 /nfs/dbraw/zinc/23/79/73/663237973.db2.gz SBLANKNWEMWLMS-JHJVBQTASA-N 2 1 312.414 -1.232 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882036 663259205 /nfs/dbraw/zinc/25/92/05/663259205.db2.gz POQHVHWPTJAWMQ-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882036 663259209 /nfs/dbraw/zinc/25/92/09/663259209.db2.gz POQHVHWPTJAWMQ-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000929882036 663259213 /nfs/dbraw/zinc/25/92/13/663259213.db2.gz POQHVHWPTJAWMQ-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882036 663259216 /nfs/dbraw/zinc/25/92/16/663259216.db2.gz POQHVHWPTJAWMQ-UPJWGTAASA-N 2 1 310.398 -1.214 20 0 DAADMP O=C(N1CCN(C2C[NH+](CCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941640854 663401285 /nfs/dbraw/zinc/40/12/85/663401285.db2.gz GKOGAJDASUJHFY-UHFFFAOYSA-N 2 1 308.426 -1.097 20 0 DAADMP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996823017 663494021 /nfs/dbraw/zinc/49/40/21/663494021.db2.gz SXEPUHLZTQWCPA-ULKWEWGCSA-N 2 1 322.409 -1.085 20 0 DAADMP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999765538 663563619 /nfs/dbraw/zinc/56/36/19/663563619.db2.gz PAFCVKBOPNRTMO-WULFKBJJSA-N 2 1 322.409 -1.085 20 0 DAADMP C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865052 663568344 /nfs/dbraw/zinc/56/83/44/663568344.db2.gz RUPGYWJDCMPATN-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000999865052 663568347 /nfs/dbraw/zinc/56/83/47/663568347.db2.gz RUPGYWJDCMPATN-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000999865052 663568350 /nfs/dbraw/zinc/56/83/50/663568350.db2.gz RUPGYWJDCMPATN-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[C@H]1CC[NH+](CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000999865052 663568352 /nfs/dbraw/zinc/56/83/52/663568352.db2.gz RUPGYWJDCMPATN-JSGCOSHPSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001297865 663600173 /nfs/dbraw/zinc/60/01/73/663600173.db2.gz URJPZGFVOKJBLH-KBPBESRZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001297865 663600176 /nfs/dbraw/zinc/60/01/76/663600176.db2.gz URJPZGFVOKJBLH-KBPBESRZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297865 663600178 /nfs/dbraw/zinc/60/01/78/663600178.db2.gz URJPZGFVOKJBLH-KBPBESRZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297865 663600181 /nfs/dbraw/zinc/60/01/81/663600181.db2.gz URJPZGFVOKJBLH-KBPBESRZSA-N 2 1 324.425 -1.014 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977299 663611925 /nfs/dbraw/zinc/61/19/25/663611925.db2.gz MGVICGBEVGHNTO-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001001977299 663611933 /nfs/dbraw/zinc/61/19/33/663611933.db2.gz MGVICGBEVGHNTO-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001001977299 663611936 /nfs/dbraw/zinc/61/19/36/663611936.db2.gz MGVICGBEVGHNTO-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001001977299 663611939 /nfs/dbraw/zinc/61/19/39/663611939.db2.gz MGVICGBEVGHNTO-UONOGXRCSA-N 2 1 324.425 -1.157 20 0 DAADMP NC(=O)CN1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876239 663619648 /nfs/dbraw/zinc/61/96/48/663619648.db2.gz TUUBOWGGIWLSFK-CHWSQXEVSA-N 2 1 310.398 -1.085 20 0 DAADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876239 663619652 /nfs/dbraw/zinc/61/96/52/663619652.db2.gz TUUBOWGGIWLSFK-CHWSQXEVSA-N 2 1 310.398 -1.085 20 0 DAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923300719 663696248 /nfs/dbraw/zinc/69/62/48/663696248.db2.gz KEQYXNGNQYUFCP-GFCCVEGCSA-N 2 1 318.443 -1.211 20 0 DAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000923354388 663696498 /nfs/dbraw/zinc/69/64/98/663696498.db2.gz TUZXIDKQWWLCDB-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O ZINC000923333326 663696700 /nfs/dbraw/zinc/69/67/00/663696700.db2.gz QRKJNFMIEPIQFC-LBPRGKRZSA-N 2 1 323.397 -1.223 20 0 DAADMP O=S(=O)(C1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000923436070 663697197 /nfs/dbraw/zinc/69/71/97/663697197.db2.gz BVQRCNALQBSBNX-QWRGUYRKSA-N 2 1 306.407 -1.394 20 0 DAADMP COC[C@H](C)NC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466044 663697796 /nfs/dbraw/zinc/69/77/96/663697796.db2.gz HOVBDSHFKVAOQB-NSHDSACASA-N 2 1 301.391 -1.658 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918725 663698758 /nfs/dbraw/zinc/69/87/58/663698758.db2.gz PXYPOZOLUMZDQY-STQMWFEESA-N 2 1 324.425 -1.088 20 0 DAADMP C[NH+]1CCC(OCC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000827577415 663868753 /nfs/dbraw/zinc/86/87/53/663868753.db2.gz IEGZEUSWPXDQAF-CQSZACIVSA-N 2 1 301.387 -1.436 20 0 DAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000842512256 663876683 /nfs/dbraw/zinc/87/66/83/663876683.db2.gz JDXYHTPNPBFSCO-LBPRGKRZSA-N 2 1 320.390 -1.866 20 0 DAADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848637414 663892087 /nfs/dbraw/zinc/89/20/87/663892087.db2.gz PTUCGCQCFOULDM-RWMBFGLXSA-N 2 1 310.398 -1.539 20 0 DAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848616665 663892422 /nfs/dbraw/zinc/89/24/22/663892422.db2.gz QMTWJYNQSXWVJJ-QWHCGFSZSA-N 2 1 312.414 -1.101 20 0 DAADMP NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000849012977 663893056 /nfs/dbraw/zinc/89/30/56/663893056.db2.gz CKRPFHQWIACDMT-RYUDHWBXSA-N 2 1 313.402 -1.144 20 0 DAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851685810 663896401 /nfs/dbraw/zinc/89/64/01/663896401.db2.gz WFHMPKAPXHIJLX-LGESCRJUSA-N 2 1 322.409 -1.085 20 0 DAADMP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)=NO1 ZINC000852876600 663898837 /nfs/dbraw/zinc/89/88/37/663898837.db2.gz MOIRGDHIWFPMCN-MNOVXSKESA-N 2 1 309.370 -1.487 20 0 DAADMP C[C@H]([NH3+])CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000857107424 663907762 /nfs/dbraw/zinc/90/77/62/663907762.db2.gz VIGNGENIZZDDCX-JTQLQIEISA-N 2 1 319.431 -1.648 20 0 DAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000861755995 663918964 /nfs/dbraw/zinc/91/89/64/663918964.db2.gz RXVFSXSEXDFCBF-NSHDSACASA-N 2 1 313.402 -1.928 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000863765437 663926778 /nfs/dbraw/zinc/92/67/78/663926778.db2.gz QHIOREYJSAJVLO-CHWSQXEVSA-N 2 1 312.414 -1.027 20 0 DAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000863765440 663926782 /nfs/dbraw/zinc/92/67/82/663926782.db2.gz QHIOREYJSAJVLO-OLZOCXBDSA-N 2 1 312.414 -1.027 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000866717459 663931464 /nfs/dbraw/zinc/93/14/64/663931464.db2.gz GEZMWXVKNAFUEY-OCCSQVGLSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000866717459 663931469 /nfs/dbraw/zinc/93/14/69/663931469.db2.gz GEZMWXVKNAFUEY-OCCSQVGLSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710615 663931809 /nfs/dbraw/zinc/93/18/09/663931809.db2.gz ZXQFQWFAWMVNTP-UPJWGTAASA-N 2 1 324.381 -1.288 20 0 DAADMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710615 663931812 /nfs/dbraw/zinc/93/18/12/663931812.db2.gz ZXQFQWFAWMVNTP-UPJWGTAASA-N 2 1 324.381 -1.288 20 0 DAADMP Cn1nnnc1CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866661404 663932014 /nfs/dbraw/zinc/93/20/14/663932014.db2.gz ITNUSZGMFIBONH-LBPRGKRZSA-N 2 1 307.402 -1.104 20 0 DAADMP O=C(CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000866717460 663932044 /nfs/dbraw/zinc/93/20/44/663932044.db2.gz GEZMWXVKNAFUEY-TZMCWYRMSA-N 2 1 310.398 -1.212 20 0 DAADMP O=C(CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)N1CC[NH2+]CC1 ZINC000866717460 663932045 /nfs/dbraw/zinc/93/20/45/663932045.db2.gz GEZMWXVKNAFUEY-TZMCWYRMSA-N 2 1 310.398 -1.212 20 0 DAADMP COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604198 663932384 /nfs/dbraw/zinc/93/23/84/663932384.db2.gz DAFKIRNYWZCULD-GFCCVEGCSA-N 2 1 306.432 -1.163 20 0 DAADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[C@@H](C[NH3+])C1 ZINC000868385675 663933865 /nfs/dbraw/zinc/93/38/65/663933865.db2.gz WRIBAGSXLFVMRI-MELADBBJSA-N 2 1 323.441 -1.360 20 0 DAADMP O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000868419063 663934098 /nfs/dbraw/zinc/93/40/98/663934098.db2.gz UJKSOSVKVFCCNB-REWJHTLYSA-N 2 1 322.409 -1.383 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC[C@H]21 ZINC000868387366 663934363 /nfs/dbraw/zinc/93/43/63/663934363.db2.gz BORWFQRWJZOABY-FRRDWIJNSA-N 2 1 310.398 -1.275 20 0 DAADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232932 663939031 /nfs/dbraw/zinc/93/90/31/663939031.db2.gz JUDYVAAPSHPDQH-UKRRQHHQSA-N 2 1 313.398 -1.341 20 0 DAADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232932 663939034 /nfs/dbraw/zinc/93/90/34/663939034.db2.gz JUDYVAAPSHPDQH-UKRRQHHQSA-N 2 1 313.398 -1.341 20 0 DAADMP O=C1COC[C@]2(C[NH2+]C[C@H](O)C[NH+]3CCCC3)COCCN12 ZINC000872232823 663939518 /nfs/dbraw/zinc/93/95/18/663939518.db2.gz HNLMBQUAOAKXEZ-ZFWWWQNUSA-N 2 1 313.398 -1.340 20 0 DAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923647347 663946106 /nfs/dbraw/zinc/94/61/06/663946106.db2.gz YFBQYPNWIHEMNN-WDEREUQCSA-N 2 1 305.400 -1.095 20 0 DAADMP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000876971887 663949423 /nfs/dbraw/zinc/94/94/23/663949423.db2.gz FMESZWCBMKSWEE-UKRRQHHQSA-N 2 1 312.414 -1.503 20 0 DAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884560357 663964652 /nfs/dbraw/zinc/96/46/52/663964652.db2.gz VOTVVUSGUCXIBE-ZDEQEGDKSA-N 2 1 308.382 -1.462 20 0 DAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884559062 663964815 /nfs/dbraw/zinc/96/48/15/663964815.db2.gz LINSVPARQYERAO-RYUDHWBXSA-N 2 1 323.397 -2.161 20 0 DAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884560240 663964843 /nfs/dbraw/zinc/96/48/43/663964843.db2.gz RLRTZOUCWCMZRV-JHJVBQTASA-N 2 1 310.398 -1.085 20 0 DAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884560238 663965038 /nfs/dbraw/zinc/96/50/38/663965038.db2.gz RLRTZOUCWCMZRV-AGIUHOORSA-N 2 1 310.398 -1.085 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000884571209 663965125 /nfs/dbraw/zinc/96/51/25/663965125.db2.gz JTQQWNPTNQDZHM-WUHRBBMRSA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000884571209 663965127 /nfs/dbraw/zinc/96/51/27/663965127.db2.gz JTQQWNPTNQDZHM-WUHRBBMRSA-N 2 1 310.398 -1.216 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884642915 663965663 /nfs/dbraw/zinc/96/56/63/663965663.db2.gz SOWDPHZJFJTRGY-FRRDWIJNSA-N 2 1 310.398 -1.214 20 0 DAADMP C[N@@H+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1(C)C ZINC000884677730 663966630 /nfs/dbraw/zinc/96/66/30/663966630.db2.gz BDACYMCGPZQNQY-UHFFFAOYSA-N 2 1 311.430 -1.440 20 0 DAADMP C[N@H+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1(C)C ZINC000884677730 663966634 /nfs/dbraw/zinc/96/66/34/663966634.db2.gz BDACYMCGPZQNQY-UHFFFAOYSA-N 2 1 311.430 -1.440 20 0 DAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884812750 663967732 /nfs/dbraw/zinc/96/77/32/663967732.db2.gz ZIXXPUZPZCGXQQ-CHWSQXEVSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC[C@H]21 ZINC000884816197 663967765 /nfs/dbraw/zinc/96/77/65/663967765.db2.gz WEYPVGBONSDKII-FRRDWIJNSA-N 2 1 310.398 -1.356 20 0 DAADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000884909171 663967927 /nfs/dbraw/zinc/96/79/27/663967927.db2.gz RWTPVWBCIUXRLZ-XDQVBPFNSA-N 2 1 324.425 -1.103 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@H]21 ZINC000884816199 663967942 /nfs/dbraw/zinc/96/79/42/663967942.db2.gz WEYPVGBONSDKII-JHJVBQTASA-N 2 1 310.398 -1.356 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000926336645 663982149 /nfs/dbraw/zinc/98/21/49/663982149.db2.gz ZBAGJSKSKKDDTK-WFASDCNBSA-N 2 1 310.398 -1.395 20 0 DAADMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000926338864 663982257 /nfs/dbraw/zinc/98/22/57/663982257.db2.gz YGKSZXXPCQDOFQ-MRXNPFEDSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000926319135 663982572 /nfs/dbraw/zinc/98/25/72/663982572.db2.gz DREDDASXOMROFQ-BBRMVZONSA-N 2 1 324.425 -1.005 20 0 DAADMP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000926319135 663982580 /nfs/dbraw/zinc/98/25/80/663982580.db2.gz DREDDASXOMROFQ-BBRMVZONSA-N 2 1 324.425 -1.005 20 0 DAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000926330984 663982832 /nfs/dbraw/zinc/98/28/32/663982832.db2.gz CZBXYGLWHMZQKG-XJKSGUPXSA-N 2 1 324.425 -1.006 20 0 DAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926382269 663983214 /nfs/dbraw/zinc/98/32/14/663983214.db2.gz IVKCKOCHUXHUIY-IUODEOHRSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926358581 663983250 /nfs/dbraw/zinc/98/32/50/663983250.db2.gz BCALFPQYCUINGC-OAHLLOKOSA-N 2 1 312.414 -1.149 20 0 DAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926383370 663983357 /nfs/dbraw/zinc/98/33/57/663983357.db2.gz STNNPMUXYSKIEO-ZDUSSCGKSA-N 2 1 311.430 -1.440 20 0 DAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000926385918 663983576 /nfs/dbraw/zinc/98/35/76/663983576.db2.gz AQQVHPKOSDPVMD-ZOBORPQBSA-N 2 1 324.425 -1.293 20 0 DAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1 ZINC000926411274 663983955 /nfs/dbraw/zinc/98/39/55/663983955.db2.gz CWOOAZRFPOUWRC-CVEARBPZSA-N 2 1 324.425 -1.147 20 0 DAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@@H]21 ZINC000926396549 663984637 /nfs/dbraw/zinc/98/46/37/663984637.db2.gz MHNWWELLPFVLBC-WWGRRREGSA-N 2 1 324.425 -1.149 20 0 DAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926413030 663984727 /nfs/dbraw/zinc/98/47/27/663984727.db2.gz LPXGWPRBFJTBDN-HNNXBMFYSA-N 2 1 312.414 -1.149 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929313394 663987714 /nfs/dbraw/zinc/98/77/14/663987714.db2.gz WXGNBBLNAAMDJD-OWYFMNJBSA-N 3 1 321.469 -1.207 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313391 663988247 /nfs/dbraw/zinc/98/82/47/663988247.db2.gz WXGNBBLNAAMDJD-CWVYHPPDSA-N 3 1 321.469 -1.207 20 0 DAADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313391 663988248 /nfs/dbraw/zinc/98/82/48/663988248.db2.gz WXGNBBLNAAMDJD-CWVYHPPDSA-N 3 1 321.469 -1.207 20 0 DAADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000931889276 663997072 /nfs/dbraw/zinc/99/70/72/663997072.db2.gz FRVKJTSIGSMJDH-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000931889276 663997074 /nfs/dbraw/zinc/99/70/74/663997074.db2.gz FRVKJTSIGSMJDH-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931889276 663997077 /nfs/dbraw/zinc/99/70/77/663997077.db2.gz FRVKJTSIGSMJDH-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931889276 663997080 /nfs/dbraw/zinc/99/70/80/663997080.db2.gz FRVKJTSIGSMJDH-MCIONIFRSA-N 2 1 324.425 -1.136 20 0 DAADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000953959994 664130417 /nfs/dbraw/zinc/13/04/17/664130417.db2.gz WZDDFEBFLMBTGL-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953959994 664130422 /nfs/dbraw/zinc/13/04/22/664130422.db2.gz WZDDFEBFLMBTGL-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000953959994 664130427 /nfs/dbraw/zinc/13/04/27/664130427.db2.gz WZDDFEBFLMBTGL-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000953959994 664130433 /nfs/dbraw/zinc/13/04/33/664130433.db2.gz WZDDFEBFLMBTGL-JSGCOSHPSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954318800 664143183 /nfs/dbraw/zinc/14/31/83/664143183.db2.gz ZUIVZCKOQDWZFQ-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954318800 664143193 /nfs/dbraw/zinc/14/31/93/664143193.db2.gz ZUIVZCKOQDWZFQ-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000954318800 664143196 /nfs/dbraw/zinc/14/31/96/664143196.db2.gz ZUIVZCKOQDWZFQ-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000954318800 664143203 /nfs/dbraw/zinc/14/32/03/664143203.db2.gz ZUIVZCKOQDWZFQ-TZMCWYRMSA-N 2 1 324.425 -1.062 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171820 664242137 /nfs/dbraw/zinc/24/21/37/664242137.db2.gz MWARMZUONVMCRQ-STQMWFEESA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171820 664242140 /nfs/dbraw/zinc/24/21/40/664242140.db2.gz MWARMZUONVMCRQ-STQMWFEESA-N 2 1 324.425 -1.243 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214468 664247943 /nfs/dbraw/zinc/24/79/43/664247943.db2.gz IARQRAYCXVOGHR-RYUDHWBXSA-N 2 1 310.398 -1.491 20 0 DAADMP NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214468 664247946 /nfs/dbraw/zinc/24/79/46/664247946.db2.gz IARQRAYCXVOGHR-RYUDHWBXSA-N 2 1 310.398 -1.491 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375459 664262355 /nfs/dbraw/zinc/26/23/55/664262355.db2.gz UJGOMRYJRGEXND-OLZOCXBDSA-N 2 1 312.414 -1.517 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375459 664262356 /nfs/dbraw/zinc/26/23/56/664262356.db2.gz UJGOMRYJRGEXND-OLZOCXBDSA-N 2 1 312.414 -1.517 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591768 664280364 /nfs/dbraw/zinc/28/03/64/664280364.db2.gz IHRKIGIZVSYGMB-OLZOCXBDSA-N 2 1 324.425 -1.421 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591768 664280367 /nfs/dbraw/zinc/28/03/67/664280367.db2.gz IHRKIGIZVSYGMB-OLZOCXBDSA-N 2 1 324.425 -1.421 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592950 664281082 /nfs/dbraw/zinc/28/10/82/664281082.db2.gz YZVYMYMMSMHCHC-NEPJUHHUSA-N 2 1 310.398 -1.763 20 0 DAADMP CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592950 664281087 /nfs/dbraw/zinc/28/10/87/664281087.db2.gz YZVYMYMMSMHCHC-NEPJUHHUSA-N 2 1 310.398 -1.763 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961286844 664336657 /nfs/dbraw/zinc/33/66/57/664336657.db2.gz ZKJXZIBCKVXQBE-CCTQGRIMSA-N 2 1 307.394 -1.112 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961286844 664336658 /nfs/dbraw/zinc/33/66/58/664336658.db2.gz ZKJXZIBCKVXQBE-CCTQGRIMSA-N 2 1 307.394 -1.112 20 0 DAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961286844 664336660 /nfs/dbraw/zinc/33/66/60/664336660.db2.gz ZKJXZIBCKVXQBE-CCTQGRIMSA-N 2 1 307.394 -1.112 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000963653731 664393783 /nfs/dbraw/zinc/39/37/83/664393783.db2.gz OXJODZSMKNFQSP-VDZFAJSBSA-N 2 1 310.398 -1.181 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000963653731 664393786 /nfs/dbraw/zinc/39/37/86/664393786.db2.gz OXJODZSMKNFQSP-VDZFAJSBSA-N 2 1 310.398 -1.181 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870830 664522150 /nfs/dbraw/zinc/52/21/50/664522150.db2.gz GIXPWOBVXDTYML-KBPBESRZSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001010870830 664522152 /nfs/dbraw/zinc/52/21/52/664522152.db2.gz GIXPWOBVXDTYML-KBPBESRZSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001010870830 664522154 /nfs/dbraw/zinc/52/21/54/664522154.db2.gz GIXPWOBVXDTYML-KBPBESRZSA-N 2 1 324.425 -1.061 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001010870830 664522156 /nfs/dbraw/zinc/52/21/56/664522156.db2.gz GIXPWOBVXDTYML-KBPBESRZSA-N 2 1 324.425 -1.061 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250813 664572797 /nfs/dbraw/zinc/57/27/97/664572797.db2.gz QXESPRPRPQHYHN-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250813 664572798 /nfs/dbraw/zinc/57/27/98/664572798.db2.gz QXESPRPRPQHYHN-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001016250813 664572799 /nfs/dbraw/zinc/57/27/99/664572799.db2.gz QXESPRPRPQHYHN-RYUDHWBXSA-N 2 1 323.397 -1.320 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018630927 664588317 /nfs/dbraw/zinc/58/83/17/664588317.db2.gz BPIPXDXNGMIYAV-NWDGAFQWSA-N 2 1 323.397 -1.177 20 0 DAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018963590 664592231 /nfs/dbraw/zinc/59/22/31/664592231.db2.gz RJBDWTMORJUUBQ-NWDGAFQWSA-N 2 1 308.386 -1.511 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046071 664608167 /nfs/dbraw/zinc/60/81/67/664608167.db2.gz SUNYQFYBNHYYAA-DDHJBXDOSA-N 2 1 324.381 -1.641 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020046071 664608170 /nfs/dbraw/zinc/60/81/70/664608170.db2.gz SUNYQFYBNHYYAA-DDHJBXDOSA-N 2 1 324.381 -1.641 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045934 664608251 /nfs/dbraw/zinc/60/82/51/664608251.db2.gz PQMAVPXEDZPTMV-CYDGBPFRSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045934 664608252 /nfs/dbraw/zinc/60/82/52/664608252.db2.gz PQMAVPXEDZPTMV-CYDGBPFRSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045936 664608368 /nfs/dbraw/zinc/60/83/68/664608368.db2.gz PQMAVPXEDZPTMV-LPWJVIDDSA-N 2 1 310.398 -1.216 20 0 DAADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045936 664608372 /nfs/dbraw/zinc/60/83/72/664608372.db2.gz PQMAVPXEDZPTMV-LPWJVIDDSA-N 2 1 310.398 -1.216 20 0 DAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000872194884 678139895 /nfs/dbraw/zinc/13/98/95/678139895.db2.gz GYNFTSXVSAYJIF-BCUIYNNISA-N 2 1 322.409 -1.668 20 0 DAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058707838 677686975 /nfs/dbraw/zinc/68/69/75/677686975.db2.gz PWUXFSOPNMPICR-CYBMUJFWSA-N 2 1 314.430 -1.031 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC001077014332 677779051 /nfs/dbraw/zinc/77/90/51/677779051.db2.gz QBZYGZNAIZIFJG-CHWSQXEVSA-N 2 1 311.386 -1.788 20 0 DAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001077014332 677779053 /nfs/dbraw/zinc/77/90/53/677779053.db2.gz QBZYGZNAIZIFJG-CHWSQXEVSA-N 2 1 311.386 -1.788 20 0 DAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911137293 677815523 /nfs/dbraw/zinc/81/55/23/677815523.db2.gz CMQUXEZNJZCQKW-UHFFFAOYSA-N 2 1 313.446 -1.144 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011952 677904122 /nfs/dbraw/zinc/90/41/22/677904122.db2.gz OYABGYWXGFZZGU-CHWSQXEVSA-N 2 1 320.397 -1.465 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011952 677904125 /nfs/dbraw/zinc/90/41/25/677904125.db2.gz OYABGYWXGFZZGU-CHWSQXEVSA-N 2 1 320.397 -1.465 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174510 677917399 /nfs/dbraw/zinc/91/73/99/677917399.db2.gz NOIFMRJSDNKMDA-YNEHKIRRSA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174510 677917401 /nfs/dbraw/zinc/91/74/01/677917401.db2.gz NOIFMRJSDNKMDA-YNEHKIRRSA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174510 677917404 /nfs/dbraw/zinc/91/74/04/677917404.db2.gz NOIFMRJSDNKMDA-YNEHKIRRSA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001078174510 677917407 /nfs/dbraw/zinc/91/74/07/677917407.db2.gz NOIFMRJSDNKMDA-YNEHKIRRSA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563967 678173875 /nfs/dbraw/zinc/17/38/75/678173875.db2.gz NLGSYXUNHKPLLC-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073563967 678173876 /nfs/dbraw/zinc/17/38/76/678173876.db2.gz NLGSYXUNHKPLLC-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)C1 ZINC001073563967 678173879 /nfs/dbraw/zinc/17/38/79/678173879.db2.gz NLGSYXUNHKPLLC-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563967 678173882 /nfs/dbraw/zinc/17/38/82/678173882.db2.gz NLGSYXUNHKPLLC-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564083 678173953 /nfs/dbraw/zinc/17/39/53/678173953.db2.gz QKEFCVYYOAKRSX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073564083 678173954 /nfs/dbraw/zinc/17/39/54/678173954.db2.gz QKEFCVYYOAKRSX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001073564083 678173956 /nfs/dbraw/zinc/17/39/56/678173956.db2.gz QKEFCVYYOAKRSX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564083 678173957 /nfs/dbraw/zinc/17/39/57/678173957.db2.gz QKEFCVYYOAKRSX-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001074755609 678203959 /nfs/dbraw/zinc/20/39/59/678203959.db2.gz NQFQDXQREJTLGX-IJEQHQFKSA-N 2 1 322.409 -1.086 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042103138 678315093 /nfs/dbraw/zinc/31/50/93/678315093.db2.gz BRJDPKJTSCPGDS-ZDUSSCGKSA-N 2 1 324.425 -1.134 20 0 DAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042103484 678315170 /nfs/dbraw/zinc/31/51/70/678315170.db2.gz GAYUAGBMJWKHNZ-GFCCVEGCSA-N 2 1 312.414 -1.278 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118864 678366633 /nfs/dbraw/zinc/36/66/33/678366633.db2.gz NBNMMIFHMYDLJI-CHWSQXEVSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118864 678366635 /nfs/dbraw/zinc/36/66/35/678366635.db2.gz NBNMMIFHMYDLJI-CHWSQXEVSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118864 678366638 /nfs/dbraw/zinc/36/66/38/678366638.db2.gz NBNMMIFHMYDLJI-CHWSQXEVSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118866 678366730 /nfs/dbraw/zinc/36/67/30/678366730.db2.gz NBNMMIFHMYDLJI-QWHCGFSZSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118866 678366735 /nfs/dbraw/zinc/36/67/35/678366735.db2.gz NBNMMIFHMYDLJI-QWHCGFSZSA-N 2 1 324.425 -1.421 20 0 DAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118866 678366740 /nfs/dbraw/zinc/36/67/40/678366740.db2.gz NBNMMIFHMYDLJI-QWHCGFSZSA-N 2 1 324.425 -1.421 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043130322 678368096 /nfs/dbraw/zinc/36/80/96/678368096.db2.gz NNAMSLVPUPXCPW-UHFFFAOYSA-N 2 1 323.397 -1.167 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044298909 678419601 /nfs/dbraw/zinc/41/96/01/678419601.db2.gz ROGRPCITJPUQFA-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009900 678473133 /nfs/dbraw/zinc/47/31/33/678473133.db2.gz FTROADXHNBTZAZ-UONOGXRCSA-N 2 1 323.441 -1.216 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046009900 678473134 /nfs/dbraw/zinc/47/31/34/678473134.db2.gz FTROADXHNBTZAZ-UONOGXRCSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046009900 678473136 /nfs/dbraw/zinc/47/31/36/678473136.db2.gz FTROADXHNBTZAZ-UONOGXRCSA-N 2 1 323.441 -1.216 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046009900 678473137 /nfs/dbraw/zinc/47/31/37/678473137.db2.gz FTROADXHNBTZAZ-UONOGXRCSA-N 2 1 323.441 -1.216 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046525939 678484393 /nfs/dbraw/zinc/48/43/93/678484393.db2.gz XFNHQYILVUWRTP-UHFFFAOYSA-N 2 1 314.430 -1.031 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047634218 678538523 /nfs/dbraw/zinc/53/85/23/678538523.db2.gz ZSBLIBOQMPESMS-IHRRRGAJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047634218 678538529 /nfs/dbraw/zinc/53/85/29/678538529.db2.gz ZSBLIBOQMPESMS-IHRRRGAJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047634218 678538532 /nfs/dbraw/zinc/53/85/32/678538532.db2.gz ZSBLIBOQMPESMS-IHRRRGAJSA-N 2 1 315.414 -1.407 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047634218 678538536 /nfs/dbraw/zinc/53/85/36/678538536.db2.gz ZSBLIBOQMPESMS-IHRRRGAJSA-N 2 1 315.414 -1.407 20 0 DAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833454 678562475 /nfs/dbraw/zinc/56/24/75/678562475.db2.gz ODGDADKOJXRSCC-RFQIPJPRSA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833454 678562478 /nfs/dbraw/zinc/56/24/78/678562478.db2.gz ODGDADKOJXRSCC-RFQIPJPRSA-N 2 1 322.409 -1.275 20 0 DAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833454 678562480 /nfs/dbraw/zinc/56/24/80/678562480.db2.gz ODGDADKOJXRSCC-RFQIPJPRSA-N 2 1 322.409 -1.275 20 0 DAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049215626 678578275 /nfs/dbraw/zinc/57/82/75/678578275.db2.gz GRMPQBONULPPFL-MCIONIFRSA-N 2 1 324.425 -1.170 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222663 678578704 /nfs/dbraw/zinc/57/87/04/678578704.db2.gz PWEBGIGYLUIKFZ-IGQOVBAYSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222663 678578705 /nfs/dbraw/zinc/57/87/05/678578705.db2.gz PWEBGIGYLUIKFZ-IGQOVBAYSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222663 678578710 /nfs/dbraw/zinc/57/87/10/678578710.db2.gz PWEBGIGYLUIKFZ-IGQOVBAYSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222663 678578712 /nfs/dbraw/zinc/57/87/12/678578712.db2.gz PWEBGIGYLUIKFZ-IGQOVBAYSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222664 678579036 /nfs/dbraw/zinc/57/90/36/678579036.db2.gz PWEBGIGYLUIKFZ-MQYQWHSLSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222664 678579041 /nfs/dbraw/zinc/57/90/41/678579041.db2.gz PWEBGIGYLUIKFZ-MQYQWHSLSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222664 678579045 /nfs/dbraw/zinc/57/90/45/678579045.db2.gz PWEBGIGYLUIKFZ-MQYQWHSLSA-N 2 1 324.425 -1.029 20 0 DAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222664 678579047 /nfs/dbraw/zinc/57/90/47/678579047.db2.gz PWEBGIGYLUIKFZ-MQYQWHSLSA-N 2 1 324.425 -1.029 20 0 DAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077622 678853984 /nfs/dbraw/zinc/85/39/84/678853984.db2.gz LEXMDVLYBRDJQO-OLZOCXBDSA-N 2 1 320.397 -1.292 20 0 DAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077622 678853986 /nfs/dbraw/zinc/85/39/86/678853986.db2.gz LEXMDVLYBRDJQO-OLZOCXBDSA-N 2 1 320.397 -1.292 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097556 678854319 /nfs/dbraw/zinc/85/43/19/678854319.db2.gz ZTQNVNPCTONDSN-UPJWGTAASA-N 2 1 308.386 -1.436 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097556 678854321 /nfs/dbraw/zinc/85/43/21/678854321.db2.gz ZTQNVNPCTONDSN-UPJWGTAASA-N 2 1 308.386 -1.436 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097556 678854323 /nfs/dbraw/zinc/85/43/23/678854323.db2.gz ZTQNVNPCTONDSN-UPJWGTAASA-N 2 1 308.386 -1.436 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097556 678854325 /nfs/dbraw/zinc/85/43/25/678854325.db2.gz ZTQNVNPCTONDSN-UPJWGTAASA-N 2 1 308.386 -1.436 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097450 678854515 /nfs/dbraw/zinc/85/45/15/678854515.db2.gz SKMGYUGZENPTBH-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097450 678854521 /nfs/dbraw/zinc/85/45/21/678854521.db2.gz SKMGYUGZENPTBH-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097450 678854525 /nfs/dbraw/zinc/85/45/25/678854525.db2.gz SKMGYUGZENPTBH-MJBXVCDLSA-N 2 1 322.413 -1.046 20 0 DAADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165597 678857489 /nfs/dbraw/zinc/85/74/89/678857489.db2.gz RNWJOHHLMCVAPF-AGIUHOORSA-N 2 1 308.386 -1.030 20 0 DAADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165597 678857494 /nfs/dbraw/zinc/85/74/94/678857494.db2.gz RNWJOHHLMCVAPF-AGIUHOORSA-N 2 1 308.386 -1.030 20 0 DAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742999 678859940 /nfs/dbraw/zinc/85/99/40/678859940.db2.gz SKENVBVSEAXIRW-UONOGXRCSA-N 2 1 316.446 -1.288 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070234920 678861865 /nfs/dbraw/zinc/86/18/65/678861865.db2.gz OIMJANCUBQHCSB-OLZOCXBDSA-N 2 1 319.369 -1.183 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001200183468 782192877 /nfs/dbraw/zinc/19/28/77/782192877.db2.gz YLPCCDVNDXQSCZ-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)C1 ZINC001200183468 782192886 /nfs/dbraw/zinc/19/28/86/782192886.db2.gz YLPCCDVNDXQSCZ-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001200183108 782193562 /nfs/dbraw/zinc/19/35/62/782193562.db2.gz VZPXROCNTVDNTC-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001200183108 782193563 /nfs/dbraw/zinc/19/35/63/782193563.db2.gz VZPXROCNTVDNTC-KBPBESRZSA-N 2 1 315.414 -1.094 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200975100 782211462 /nfs/dbraw/zinc/21/14/62/782211462.db2.gz AXKCWKVFRDZEJS-LBPRGKRZSA-N 2 1 309.370 -1.116 20 0 DAADMP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001273926979 782228144 /nfs/dbraw/zinc/22/81/44/782228144.db2.gz APRHLBCQXAZIPU-GFSGRHGLSA-N 2 1 310.398 -1.190 20 0 DAADMP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001273926979 782228156 /nfs/dbraw/zinc/22/81/56/782228156.db2.gz APRHLBCQXAZIPU-GFSGRHGLSA-N 2 1 310.398 -1.190 20 0 DAADMP CC(=O)NCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273999434 782257956 /nfs/dbraw/zinc/25/79/56/782257956.db2.gz KIWZJNXCNJJCOO-OAHLLOKOSA-N 2 1 312.414 -1.013 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001274202850 782269214 /nfs/dbraw/zinc/26/92/14/782269214.db2.gz SKDAAVDKUWTHLP-ONEGZZNKSA-N 2 1 322.369 -1.091 20 0 DAADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274565749 782283400 /nfs/dbraw/zinc/28/34/00/782283400.db2.gz UDVFNDYXDFFIAL-SWLSCSKDSA-N 2 1 313.398 -1.258 20 0 DAADMP COC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274642669 782288451 /nfs/dbraw/zinc/28/84/51/782288451.db2.gz DNZAFIOADCDPCG-LBPRGKRZSA-N 2 1 301.387 -1.532 20 0 DAADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274644038 782288640 /nfs/dbraw/zinc/28/86/40/782288640.db2.gz YQBZNIRFWQQTKO-DZGCQCFKSA-N 2 1 315.414 -1.141 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114778049 782377814 /nfs/dbraw/zinc/37/78/14/782377814.db2.gz DSUNIQJIOYNLAS-PJXYFTJBSA-N 2 1 318.443 -1.466 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114778049 782377820 /nfs/dbraw/zinc/37/78/20/782377820.db2.gz DSUNIQJIOYNLAS-PJXYFTJBSA-N 2 1 318.443 -1.466 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114778308 782378056 /nfs/dbraw/zinc/37/80/56/782378056.db2.gz IKSJWNARKHNREF-DEKYYXRVSA-N 2 1 308.382 -1.210 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047629019 782408308 /nfs/dbraw/zinc/40/83/08/782408308.db2.gz PNAGMTMEGLUCOD-IHRRRGAJSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047629019 782408313 /nfs/dbraw/zinc/40/83/13/782408313.db2.gz PNAGMTMEGLUCOD-IHRRRGAJSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047629019 782408317 /nfs/dbraw/zinc/40/83/17/782408317.db2.gz PNAGMTMEGLUCOD-IHRRRGAJSA-N 2 1 322.413 -1.267 20 0 DAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047629019 782408323 /nfs/dbraw/zinc/40/83/23/782408323.db2.gz PNAGMTMEGLUCOD-IHRRRGAJSA-N 2 1 322.413 -1.267 20 0 DAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001098488037 782442549 /nfs/dbraw/zinc/44/25/49/782442549.db2.gz BQWVUWYCPMYKSY-UHFFFAOYSA-N 2 1 323.397 -1.017 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985273 782523403 /nfs/dbraw/zinc/52/34/03/782523403.db2.gz AKUDCPFAGJJXAB-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985273 782523409 /nfs/dbraw/zinc/52/34/09/782523409.db2.gz AKUDCPFAGJJXAB-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985271 782524054 /nfs/dbraw/zinc/52/40/54/782524054.db2.gz AKUDCPFAGJJXAB-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985271 782524061 /nfs/dbraw/zinc/52/40/61/782524061.db2.gz AKUDCPFAGJJXAB-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100042309 782539732 /nfs/dbraw/zinc/53/97/32/782539732.db2.gz XNZWVVYAXCOVCQ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100042309 782539740 /nfs/dbraw/zinc/53/97/40/782539740.db2.gz XNZWVVYAXCOVCQ-CHWSQXEVSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100064959 782543536 /nfs/dbraw/zinc/54/35/36/782543536.db2.gz VDYFSKPZMKVDIG-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001100064959 782543545 /nfs/dbraw/zinc/54/35/45/782543545.db2.gz VDYFSKPZMKVDIG-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100064959 782543550 /nfs/dbraw/zinc/54/35/50/782543550.db2.gz VDYFSKPZMKVDIG-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100064959 782543558 /nfs/dbraw/zinc/54/35/58/782543558.db2.gz VDYFSKPZMKVDIG-QWHCGFSZSA-N 2 1 314.430 -1.032 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074413 782544226 /nfs/dbraw/zinc/54/42/26/782544226.db2.gz NDEFUIOLXJOUNM-QWHCGFSZSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074414 782544451 /nfs/dbraw/zinc/54/44/51/782544451.db2.gz NDEFUIOLXJOUNM-STQMWFEESA-N 2 1 303.403 -1.238 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100073417 782546947 /nfs/dbraw/zinc/54/69/47/782546947.db2.gz CPJYQJHWXVIOLD-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074412 782546842 /nfs/dbraw/zinc/54/68/42/782546842.db2.gz NDEFUIOLXJOUNM-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP COCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074411 782547186 /nfs/dbraw/zinc/54/71/86/782547186.db2.gz NDEFUIOLXJOUNM-CHWSQXEVSA-N 2 1 303.403 -1.238 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100073419 782547987 /nfs/dbraw/zinc/54/79/87/782547987.db2.gz CPJYQJHWXVIOLD-QWHCGFSZSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083859 782548543 /nfs/dbraw/zinc/54/85/43/782548543.db2.gz WOYCKUGUTQMFMF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083859 782548547 /nfs/dbraw/zinc/54/85/47/782548547.db2.gz WOYCKUGUTQMFMF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083859 782548532 /nfs/dbraw/zinc/54/85/32/782548532.db2.gz WOYCKUGUTQMFMF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100083859 782548538 /nfs/dbraw/zinc/54/85/38/782548538.db2.gz WOYCKUGUTQMFMF-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438279 782574523 /nfs/dbraw/zinc/57/45/23/782574523.db2.gz YRRQCHSOSBMAKX-IKWCTNDRSA-N 2 1 312.414 -1.064 20 0 DAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438279 782574534 /nfs/dbraw/zinc/57/45/34/782574534.db2.gz YRRQCHSOSBMAKX-IKWCTNDRSA-N 2 1 312.414 -1.064 20 0 DAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118398 782642382 /nfs/dbraw/zinc/64/23/82/782642382.db2.gz FBWIPKBWYFMGNG-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118398 782642386 /nfs/dbraw/zinc/64/23/86/782642386.db2.gz FBWIPKBWYFMGNG-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118398 782642391 /nfs/dbraw/zinc/64/23/91/782642391.db2.gz FBWIPKBWYFMGNG-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118398 782642396 /nfs/dbraw/zinc/64/23/96/782642396.db2.gz FBWIPKBWYFMGNG-KZWBYHQPSA-N 2 1 323.397 -1.431 20 0 DAADMP Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119496 782642697 /nfs/dbraw/zinc/64/26/97/782642697.db2.gz YWGVCVYBLPQESZ-NHAGDIPZSA-N 2 1 322.413 -1.060 20 0 DAADMP Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119496 782642702 /nfs/dbraw/zinc/64/27/02/782642702.db2.gz YWGVCVYBLPQESZ-NHAGDIPZSA-N 2 1 322.413 -1.060 20 0 DAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241257 782647489 /nfs/dbraw/zinc/64/74/89/782647489.db2.gz FEZOCEBSSVSMOJ-UXCLJVHYSA-N 2 1 309.370 -1.821 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241257 782647494 /nfs/dbraw/zinc/64/74/94/782647494.db2.gz FEZOCEBSSVSMOJ-UXCLJVHYSA-N 2 1 309.370 -1.821 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241257 782647496 /nfs/dbraw/zinc/64/74/96/782647496.db2.gz FEZOCEBSSVSMOJ-UXCLJVHYSA-N 2 1 309.370 -1.821 20 0 DAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241257 782647501 /nfs/dbraw/zinc/64/75/01/782647501.db2.gz FEZOCEBSSVSMOJ-UXCLJVHYSA-N 2 1 309.370 -1.821 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242335 782647776 /nfs/dbraw/zinc/64/77/76/782647776.db2.gz ZVUOGOOIRNSXMP-MEWQQHAOSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242335 782647781 /nfs/dbraw/zinc/64/77/81/782647781.db2.gz ZVUOGOOIRNSXMP-MEWQQHAOSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242335 782647787 /nfs/dbraw/zinc/64/77/87/782647787.db2.gz ZVUOGOOIRNSXMP-MEWQQHAOSA-N 2 1 323.397 -1.560 20 0 DAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242335 782647788 /nfs/dbraw/zinc/64/77/88/782647788.db2.gz ZVUOGOOIRNSXMP-MEWQQHAOSA-N 2 1 323.397 -1.560 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125863 782643929 /nfs/dbraw/zinc/64/39/29/782643929.db2.gz DBDKWRGMPJZVRB-RMRHIDDWSA-N 2 1 315.414 -1.382 20 0 DAADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126185 782644037 /nfs/dbraw/zinc/64/40/37/782644037.db2.gz JPIUDYZREQONSY-CZXHOFHRSA-N 2 1 312.414 -1.125 20 0 DAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115304550 782651251 /nfs/dbraw/zinc/65/12/51/782651251.db2.gz TVFDVPCEFVJRFI-IWIIMEHWSA-N 2 1 311.386 -1.432 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115304550 782651253 /nfs/dbraw/zinc/65/12/53/782651253.db2.gz TVFDVPCEFVJRFI-IWIIMEHWSA-N 2 1 311.386 -1.432 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115304550 782651254 /nfs/dbraw/zinc/65/12/54/782651254.db2.gz TVFDVPCEFVJRFI-IWIIMEHWSA-N 2 1 311.386 -1.432 20 0 DAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115304550 782651256 /nfs/dbraw/zinc/65/12/56/782651256.db2.gz TVFDVPCEFVJRFI-IWIIMEHWSA-N 2 1 311.386 -1.432 20 0 DAADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118336166 782715333 /nfs/dbraw/zinc/71/53/33/782715333.db2.gz FJRXVIHJADNMES-QWHCGFSZSA-N 2 1 310.398 -1.526 20 0 DAADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001118487333 782721844 /nfs/dbraw/zinc/72/18/44/782721844.db2.gz UHVAZIAKZPYKCG-ZDUSSCGKSA-N 2 1 311.430 -1.392 20 0 DAADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118994266 782743453 /nfs/dbraw/zinc/74/34/53/782743453.db2.gz SBMLLTMUEHWLPW-AXFHLTTASA-N 2 1 323.353 -1.595 20 0 DAADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118994266 782743460 /nfs/dbraw/zinc/74/34/60/782743460.db2.gz SBMLLTMUEHWLPW-AXFHLTTASA-N 2 1 323.353 -1.595 20 0 DAADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001267374937 775232329 /nfs/dbraw/zinc/23/23/29/775232329.db2.gz QJMPEEYDXAOYGN-WDEREUQCSA-N 2 1 313.402 -1.040 20 0 DAADMP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098582505 775234318 /nfs/dbraw/zinc/23/43/18/775234318.db2.gz SWVCEUGKSAIBEF-UHFFFAOYSA-N 2 1 309.370 -1.346 20 0 DAADMP NC(=O)CN(CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098582505 775234321 /nfs/dbraw/zinc/23/43/21/775234321.db2.gz SWVCEUGKSAIBEF-UHFFFAOYSA-N 2 1 309.370 -1.346 20 0 DAADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981685 775308751 /nfs/dbraw/zinc/30/87/51/775308751.db2.gz QNOPGGHKYZSOHL-NWDGAFQWSA-N 2 1 320.459 -1.028 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859789 775324714 /nfs/dbraw/zinc/32/47/14/775324714.db2.gz KRZISXWDIZQYOS-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859789 775324725 /nfs/dbraw/zinc/32/47/25/775324725.db2.gz KRZISXWDIZQYOS-MGPQQGTHSA-N 2 1 315.414 -1.095 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268315514 775366293 /nfs/dbraw/zinc/36/62/93/775366293.db2.gz BZMWWHBICWOHKA-GHMZBOCLSA-N 2 1 322.431 -2.304 20 0 DAADMP O=C(N1CC(n2cc(C[NH2+]CCO)nn2)C1)C12CC[NH+](CC1)C2 ZINC001105361192 775382063 /nfs/dbraw/zinc/38/20/63/775382063.db2.gz SRVHUIDNEIAOCB-UHFFFAOYSA-N 2 1 320.397 -1.161 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268576338 775401026 /nfs/dbraw/zinc/40/10/26/775401026.db2.gz UUXDZUWGWMRUFC-PGLGOXFNSA-N 2 1 311.386 -1.202 20 0 DAADMP CN(CC(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1)C(N)=[NH2+] ZINC001268996486 775433636 /nfs/dbraw/zinc/43/36/36/775433636.db2.gz LWUWQBKISBVMMG-AWEZNQCLSA-N 2 1 310.402 -1.375 20 0 DAADMP CN(CC(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1)C(N)=[NH2+] ZINC001268996489 775434159 /nfs/dbraw/zinc/43/41/59/775434159.db2.gz LWUWQBKISBVMMG-CQSZACIVSA-N 2 1 310.402 -1.375 20 0 DAADMP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001268996526 775434255 /nfs/dbraw/zinc/43/42/55/775434255.db2.gz MJESILOFQGCKNW-MNOVXSKESA-N 2 1 310.402 -1.567 20 0 DAADMP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001268996526 775434260 /nfs/dbraw/zinc/43/42/60/775434260.db2.gz MJESILOFQGCKNW-MNOVXSKESA-N 2 1 310.402 -1.567 20 0 DAADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094459 775441831 /nfs/dbraw/zinc/44/18/31/775441831.db2.gz HHBOESWEGKBXQQ-UHFFFAOYSA-N 2 1 314.430 -2.021 20 0 DAADMP O=C(Cn1ccnc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105382259 775501165 /nfs/dbraw/zinc/50/11/65/775501165.db2.gz DKUSJCGPEWJQSU-UHFFFAOYSA-N 2 1 305.342 -1.360 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCCOC)C2)C1 ZINC001271393097 775574431 /nfs/dbraw/zinc/57/44/31/775574431.db2.gz JZPSTYNTMCJEDS-ZDUSSCGKSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCCOC)C2)C1 ZINC001271393097 775574439 /nfs/dbraw/zinc/57/44/39/775574439.db2.gz JZPSTYNTMCJEDS-ZDUSSCGKSA-N 2 1 315.414 -1.094 20 0 DAADMP Cn1cc(CNCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001272129964 775639329 /nfs/dbraw/zinc/63/93/29/775639329.db2.gz WVLOHFIKRSMNEW-CYBMUJFWSA-N 2 1 310.402 -1.180 20 0 DAADMP Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001272129964 775639334 /nfs/dbraw/zinc/63/93/34/775639334.db2.gz WVLOHFIKRSMNEW-CYBMUJFWSA-N 2 1 310.402 -1.180 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100981037 775646161 /nfs/dbraw/zinc/64/61/61/775646161.db2.gz RVNFXEPHJYNCET-YVNMAJEFSA-N 2 1 311.386 -1.383 20 0 DAADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272389489 775756582 /nfs/dbraw/zinc/75/65/82/775756582.db2.gz OQPHNQDTPXGTRY-QWHCGFSZSA-N 2 1 303.403 -1.191 20 0 DAADMP CC(C)OCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272389489 775756587 /nfs/dbraw/zinc/75/65/87/775756587.db2.gz OQPHNQDTPXGTRY-QWHCGFSZSA-N 2 1 303.403 -1.191 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272495623 775764755 /nfs/dbraw/zinc/76/47/55/775764755.db2.gz GHYAVSNYHHUKDT-CHWSQXEVSA-N 2 1 312.414 -1.230 20 0 DAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106766763 775796237 /nfs/dbraw/zinc/79/62/37/775796237.db2.gz SSYKLKCLVDTIOP-CHWSQXEVSA-N 2 1 312.414 -1.122 20 0 DAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124873234 775831553 /nfs/dbraw/zinc/83/15/53/775831553.db2.gz UGEHHCBFZNQZOD-NSHDSACASA-N 2 1 311.386 -2.255 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879785 775832886 /nfs/dbraw/zinc/83/28/86/775832886.db2.gz ZPJOCKVXIRFFEG-ZDUSSCGKSA-N 2 1 300.403 -1.061 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879477 775833482 /nfs/dbraw/zinc/83/34/82/775833482.db2.gz URVQIWZXARSNCX-LLVKDONJSA-N 2 1 306.432 -1.274 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879478 775833822 /nfs/dbraw/zinc/83/38/22/775833822.db2.gz URVQIWZXARSNCX-NSHDSACASA-N 2 1 306.432 -1.274 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203916 775838633 /nfs/dbraw/zinc/83/86/33/775838633.db2.gz VFQVVJJYLDCWAF-IUCAKERBSA-N 2 1 301.347 -2.394 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001125203916 775838639 /nfs/dbraw/zinc/83/86/39/775838639.db2.gz VFQVVJJYLDCWAF-IUCAKERBSA-N 2 1 301.347 -2.394 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220646 775840259 /nfs/dbraw/zinc/84/02/59/775840259.db2.gz KJJBIIBCSVIXBH-CYBMUJFWSA-N 2 1 316.402 -1.825 20 0 DAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220646 775840269 /nfs/dbraw/zinc/84/02/69/775840269.db2.gz KJJBIIBCSVIXBH-CYBMUJFWSA-N 2 1 316.402 -1.825 20 0 DAADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221252 775840288 /nfs/dbraw/zinc/84/02/88/775840288.db2.gz OTAZXJOWIAOYCW-GFCCVEGCSA-N 2 1 300.403 -1.205 20 0 DAADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221252 775840291 /nfs/dbraw/zinc/84/02/91/775840291.db2.gz OTAZXJOWIAOYCW-GFCCVEGCSA-N 2 1 300.403 -1.205 20 0 DAADMP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125227539 775840475 /nfs/dbraw/zinc/84/04/75/775840475.db2.gz VFRCIXCBRSGZBL-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125227539 775840480 /nfs/dbraw/zinc/84/04/80/775840480.db2.gz VFRCIXCBRSGZBL-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001125221135 775840493 /nfs/dbraw/zinc/84/04/93/775840493.db2.gz NMBPMUXBKDMGAY-NEPJUHHUSA-N 2 1 308.386 -1.198 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001125221135 775840499 /nfs/dbraw/zinc/84/04/99/775840499.db2.gz NMBPMUXBKDMGAY-NEPJUHHUSA-N 2 1 308.386 -1.198 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001125222627 775840531 /nfs/dbraw/zinc/84/05/31/775840531.db2.gz WOLGTTNYXUNOHH-GFCCVEGCSA-N 2 1 314.386 -2.118 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001125222627 775840534 /nfs/dbraw/zinc/84/05/34/775840534.db2.gz WOLGTTNYXUNOHH-GFCCVEGCSA-N 2 1 314.386 -2.118 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220346 775840873 /nfs/dbraw/zinc/84/08/73/775840873.db2.gz GSZTXMUNXRRMDE-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220346 775840884 /nfs/dbraw/zinc/84/08/84/775840884.db2.gz GSZTXMUNXRRMDE-NSHDSACASA-N 2 1 322.431 -2.038 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125220449 775841312 /nfs/dbraw/zinc/84/13/12/775841312.db2.gz HSSJDFNKRMXGPM-NWDGAFQWSA-N 2 1 319.427 -1.543 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125220449 775841324 /nfs/dbraw/zinc/84/13/24/775841324.db2.gz HSSJDFNKRMXGPM-NWDGAFQWSA-N 2 1 319.427 -1.543 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220335 775841539 /nfs/dbraw/zinc/84/15/39/775841539.db2.gz GSZTXMUNXRRMDE-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220335 775841545 /nfs/dbraw/zinc/84/15/45/775841545.db2.gz GSZTXMUNXRRMDE-LLVKDONJSA-N 2 1 322.431 -2.038 20 0 DAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125227209 775842007 /nfs/dbraw/zinc/84/20/07/775842007.db2.gz OIPCGKXQJGPKHS-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125227209 775842015 /nfs/dbraw/zinc/84/20/15/775842015.db2.gz OIPCGKXQJGPKHS-DGCLKSJQSA-N 2 1 312.414 -1.063 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125227520 775842133 /nfs/dbraw/zinc/84/21/33/775842133.db2.gz UMMGKWVXTUYGTL-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125227520 775842141 /nfs/dbraw/zinc/84/21/41/775842141.db2.gz UMMGKWVXTUYGTL-NXEZZACHSA-N 2 1 315.374 -2.133 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001125220444 775842782 /nfs/dbraw/zinc/84/27/82/775842782.db2.gz HSSJDFNKRMXGPM-NEPJUHHUSA-N 2 1 319.427 -1.543 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001125220444 775842787 /nfs/dbraw/zinc/84/27/87/775842787.db2.gz HSSJDFNKRMXGPM-NEPJUHHUSA-N 2 1 319.427 -1.543 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779974 775862899 /nfs/dbraw/zinc/86/28/99/775862899.db2.gz UOLIYJREQDZQSL-WDEREUQCSA-N 2 1 309.374 -1.721 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779974 775862913 /nfs/dbraw/zinc/86/29/13/775862913.db2.gz UOLIYJREQDZQSL-WDEREUQCSA-N 2 1 309.374 -1.721 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779265 775863286 /nfs/dbraw/zinc/86/32/86/775863286.db2.gz KJGITXRFNAXTRM-NEPJUHHUSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779265 775863288 /nfs/dbraw/zinc/86/32/88/775863288.db2.gz KJGITXRFNAXTRM-NEPJUHHUSA-N 2 1 308.386 -1.116 20 0 DAADMP O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778871 775863521 /nfs/dbraw/zinc/86/35/21/775863521.db2.gz HHVJXGXAKZNQOQ-QWHCGFSZSA-N 2 1 301.387 -1.436 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779909 775864009 /nfs/dbraw/zinc/86/40/09/775864009.db2.gz SRHOTISEDNXAMC-CHWSQXEVSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779909 775864014 /nfs/dbraw/zinc/86/40/14/775864014.db2.gz SRHOTISEDNXAMC-CHWSQXEVSA-N 2 1 308.386 -1.116 20 0 DAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780217 775864205 /nfs/dbraw/zinc/86/42/05/775864205.db2.gz XDYHPNXFDUBYFY-DGCLKSJQSA-N 2 1 308.386 -1.116 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001083851321 775989515 /nfs/dbraw/zinc/98/95/15/775989515.db2.gz ZHRZGPMGZJWXCQ-OLZOCXBDSA-N 2 1 311.386 -1.788 20 0 DAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001083851321 775989522 /nfs/dbraw/zinc/98/95/22/775989522.db2.gz ZHRZGPMGZJWXCQ-OLZOCXBDSA-N 2 1 311.386 -1.788 20 0 DAADMP CN(c1nccnc1N1CC[NH+](C)CC1)S(=O)(=O)CC[NH3+] ZINC001164292330 776116867 /nfs/dbraw/zinc/11/68/67/776116867.db2.gz JOSDDJRCRXMFHB-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954887 776143485 /nfs/dbraw/zinc/14/34/85/776143485.db2.gz MWCMIXQIAPPTKH-MCIONIFRSA-N 2 1 322.413 -1.219 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954887 776143489 /nfs/dbraw/zinc/14/34/89/776143489.db2.gz MWCMIXQIAPPTKH-MCIONIFRSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954887 776143497 /nfs/dbraw/zinc/14/34/97/776143497.db2.gz MWCMIXQIAPPTKH-MCIONIFRSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083954887 776143506 /nfs/dbraw/zinc/14/35/06/776143506.db2.gz MWCMIXQIAPPTKH-MCIONIFRSA-N 2 1 322.413 -1.219 20 0 DAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157397 /nfs/dbraw/zinc/15/73/97/776157397.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 2 1 301.387 -1.485 20 0 DAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053859 776161209 /nfs/dbraw/zinc/16/12/09/776161209.db2.gz NOIFMRJSDNKMDA-UPJWGTAASA-N 2 1 308.386 -1.609 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053859 776161217 /nfs/dbraw/zinc/16/12/17/776161217.db2.gz NOIFMRJSDNKMDA-UPJWGTAASA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053859 776161223 /nfs/dbraw/zinc/16/12/23/776161223.db2.gz NOIFMRJSDNKMDA-UPJWGTAASA-N 2 1 308.386 -1.609 20 0 DAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001084053859 776161229 /nfs/dbraw/zinc/16/12/29/776161229.db2.gz NOIFMRJSDNKMDA-UPJWGTAASA-N 2 1 308.386 -1.609 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001273358972 776221245 /nfs/dbraw/zinc/22/12/45/776221245.db2.gz PYHFXJQRTSXSMW-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001273358972 776221250 /nfs/dbraw/zinc/22/12/50/776221250.db2.gz PYHFXJQRTSXSMW-CHWSQXEVSA-N 2 1 301.387 -1.484 20 0 DAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091895 776240300 /nfs/dbraw/zinc/24/03/00/776240300.db2.gz RNWMVADBWKKROY-YVECIDJPSA-N 2 1 310.398 -1.181 20 0 DAADMP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036394 776243508 /nfs/dbraw/zinc/24/35/08/776243508.db2.gz FXLMNVNHLISSHL-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036394 776243509 /nfs/dbraw/zinc/24/35/09/776243509.db2.gz FXLMNVNHLISSHL-UONOGXRCSA-N 2 1 315.414 -1.094 20 0 DAADMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064960 776254880 /nfs/dbraw/zinc/25/48/80/776254880.db2.gz VDYFSKPZMKVDIG-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064960 776254886 /nfs/dbraw/zinc/25/48/86/776254886.db2.gz VDYFSKPZMKVDIG-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064960 776254892 /nfs/dbraw/zinc/25/48/92/776254892.db2.gz VDYFSKPZMKVDIG-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100064960 776254900 /nfs/dbraw/zinc/25/49/00/776254900.db2.gz VDYFSKPZMKVDIG-STQMWFEESA-N 2 1 314.430 -1.032 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098429043 776258048 /nfs/dbraw/zinc/25/80/48/776258048.db2.gz OYHNOTKNNJDOLG-UHFFFAOYSA-N 2 1 323.397 -1.038 20 0 DAADMP Cc1c[nH+]cn1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098429043 776258056 /nfs/dbraw/zinc/25/80/56/776258056.db2.gz OYHNOTKNNJDOLG-UHFFFAOYSA-N 2 1 323.397 -1.038 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100084147 776262040 /nfs/dbraw/zinc/26/20/40/776262040.db2.gz XWVSMLBIFUTYCQ-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100084147 776262043 /nfs/dbraw/zinc/26/20/43/776262043.db2.gz XWVSMLBIFUTYCQ-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100084147 776262046 /nfs/dbraw/zinc/26/20/46/776262046.db2.gz XWVSMLBIFUTYCQ-ZIAGYGMSSA-N 2 1 317.430 -1.112 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146333 776273965 /nfs/dbraw/zinc/27/39/65/776273965.db2.gz WKDWCDMFWLNIAX-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146333 776273970 /nfs/dbraw/zinc/27/39/70/776273970.db2.gz WKDWCDMFWLNIAX-SNVBAGLBSA-N 2 1 315.374 -2.132 20 0 DAADMP C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569747 776305180 /nfs/dbraw/zinc/30/51/80/776305180.db2.gz OTPCGYJXWSAGCV-VXGBXAGGSA-N 2 1 312.414 -1.280 20 0 DAADMP C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569746 776305694 /nfs/dbraw/zinc/30/56/94/776305694.db2.gz OTPCGYJXWSAGCV-RYUDHWBXSA-N 2 1 312.414 -1.280 20 0 DAADMP C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569745 776306089 /nfs/dbraw/zinc/30/60/89/776306089.db2.gz OTPCGYJXWSAGCV-NWDGAFQWSA-N 2 1 312.414 -1.280 20 0 DAADMP CC[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108587415 776309569 /nfs/dbraw/zinc/30/95/69/776309569.db2.gz MWIBDCZKQXEGSY-GFCCVEGCSA-N 2 1 312.414 -1.014 20 0 DAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129380938 776326001 /nfs/dbraw/zinc/32/60/01/776326001.db2.gz OBMFVRPDMLTOMC-ZDUSSCGKSA-N 2 1 322.413 -1.249 20 0 DAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001129385473 776329958 /nfs/dbraw/zinc/32/99/58/776329958.db2.gz FHXUJUDNULDPHR-NEPJUHHUSA-N 2 1 310.402 -1.217 20 0 DAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001170221483 776425345 /nfs/dbraw/zinc/42/53/45/776425345.db2.gz BQXJYBDWZHBDRI-UHFFFAOYSA-N 2 1 308.448 -1.027 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042282 776443089 /nfs/dbraw/zinc/44/30/89/776443089.db2.gz ZEPVPQCLHWBJLP-KLBPJQLPSA-N 2 1 309.370 -1.678 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042282 776443093 /nfs/dbraw/zinc/44/30/93/776443093.db2.gz ZEPVPQCLHWBJLP-KLBPJQLPSA-N 2 1 309.370 -1.678 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042282 776443098 /nfs/dbraw/zinc/44/30/98/776443098.db2.gz ZEPVPQCLHWBJLP-KLBPJQLPSA-N 2 1 309.370 -1.678 20 0 DAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114042282 776443105 /nfs/dbraw/zinc/44/31/05/776443105.db2.gz ZEPVPQCLHWBJLP-KLBPJQLPSA-N 2 1 309.370 -1.678 20 0 DAADMP C[N@@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCC1 ZINC001129535473 776474316 /nfs/dbraw/zinc/47/43/16/776474316.db2.gz SZDVIIQMQLRRMK-UHFFFAOYSA-N 2 1 306.432 -1.274 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131381442 776566843 /nfs/dbraw/zinc/56/68/43/776566843.db2.gz OLECJJNXTWXWQD-UHFFFAOYSA-N 2 1 314.430 -1.029 20 0 DAADMP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131381442 776566847 /nfs/dbraw/zinc/56/68/47/776566847.db2.gz OLECJJNXTWXWQD-UHFFFAOYSA-N 2 1 314.430 -1.029 20 0 DAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521950 776572294 /nfs/dbraw/zinc/57/22/94/776572294.db2.gz MVGFVRMJBANBEG-DILZAHMFSA-N 2 1 310.398 -1.310 20 0 DAADMP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520239 776574060 /nfs/dbraw/zinc/57/40/60/776574060.db2.gz VQKGBMKFQKATSA-WULFKBJJSA-N 2 1 322.409 -1.166 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519485 776574203 /nfs/dbraw/zinc/57/42/03/776574203.db2.gz GTAXUOXIWVAUFM-AVERBVTBSA-N 2 1 310.398 -1.309 20 0 DAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519440 776574431 /nfs/dbraw/zinc/57/44/31/776574431.db2.gz FIGRBYLKMRUUBY-AVERBVTBSA-N 2 1 310.398 -1.356 20 0 DAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131521572 776574904 /nfs/dbraw/zinc/57/49/04/776574904.db2.gz BUWYRGCNWNCJMQ-OOLXCHQQSA-N 2 1 310.398 -1.181 20 0 DAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131521532 776575234 /nfs/dbraw/zinc/57/52/34/776575234.db2.gz ANKWMBQVYXAHCI-LGESCRJUSA-N 2 1 322.409 -1.214 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100185687 776623161 /nfs/dbraw/zinc/62/31/61/776623161.db2.gz KQUCPNHYIWSVFY-VQXHTEKXSA-N 2 1 311.386 -1.240 20 0 DAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132858609 776642171 /nfs/dbraw/zinc/64/21/71/776642171.db2.gz BMEZAUHFIXYZQA-LBPRGKRZSA-N 2 1 300.403 -1.063 20 0 DAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132849051 776642782 /nfs/dbraw/zinc/64/27/82/776642782.db2.gz ZYDSYAXGLWCDCZ-VXGBXAGGSA-N 2 1 300.403 -1.064 20 0 DAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001132848276 776643108 /nfs/dbraw/zinc/64/31/08/776643108.db2.gz CRRSSFFJDUAQOI-SNVBAGLBSA-N 2 1 315.374 -2.004 20 0 DAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848844 776643552 /nfs/dbraw/zinc/64/35/52/776643552.db2.gz TZGMJWQMDHWAGJ-QWHCGFSZSA-N 2 1 303.403 -1.191 20 0 DAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850122 776680217 /nfs/dbraw/zinc/68/02/17/776680217.db2.gz JIXIWWWABGPEOE-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870626 776680716 /nfs/dbraw/zinc/68/07/16/776680716.db2.gz UZERSURZBFOFCZ-GHMZBOCLSA-N 2 1 313.402 -1.264 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133871214 776680906 /nfs/dbraw/zinc/68/09/06/776680906.db2.gz YQALWLFKYFHNBQ-NWDGAFQWSA-N 2 1 320.459 -1.219 20 0 DAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001133845976 776681064 /nfs/dbraw/zinc/68/10/64/776681064.db2.gz QYFZHULQPBFWNP-CYBMUJFWSA-N 2 1 312.414 -1.107 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133871252 776681391 /nfs/dbraw/zinc/68/13/91/776681391.db2.gz ZTJDTCVENKAZMT-STQMWFEESA-N 2 1 312.414 -1.251 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870635 776681557 /nfs/dbraw/zinc/68/15/57/776681557.db2.gz UZERSURZBFOFCZ-WDEREUQCSA-N 2 1 313.402 -1.264 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863783 776681605 /nfs/dbraw/zinc/68/16/05/776681605.db2.gz PFCZPEYRELPTDW-VXGBXAGGSA-N 2 1 320.459 -1.171 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133871250 776681621 /nfs/dbraw/zinc/68/16/21/776681621.db2.gz ZTJDTCVENKAZMT-OLZOCXBDSA-N 2 1 312.414 -1.251 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850121 776681700 /nfs/dbraw/zinc/68/17/00/776681700.db2.gz JIXIWWWABGPEOE-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115252 776735645 /nfs/dbraw/zinc/73/56/45/776735645.db2.gz ZQWHYBWRTOAZPT-UHFFFAOYSA-N 2 1 321.389 -1.512 20 0 DAADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135305244 776749127 /nfs/dbraw/zinc/74/91/27/776749127.db2.gz ODNBMXVGETZLCI-UHFFFAOYSA-N 2 1 310.358 -1.128 20 0 DAADMP C[C@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001135340445 776750120 /nfs/dbraw/zinc/75/01/20/776750120.db2.gz AMPDVNNCDGIPSM-JTQLQIEISA-N 2 1 315.374 -2.002 20 0 DAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349892 776751178 /nfs/dbraw/zinc/75/11/78/776751178.db2.gz HJQABLVELFEHQQ-UHFFFAOYSA-N 2 1 300.403 -1.061 20 0 DAADMP Cn1nnnc1C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958570 776776746 /nfs/dbraw/zinc/77/67/46/776776746.db2.gz CZSJNAOSKYPOBX-UHFFFAOYSA-N 2 1 311.390 -1.473 20 0 DAADMP O=S(=O)(CC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC001246104464 776787840 /nfs/dbraw/zinc/78/78/40/776787840.db2.gz XRKBUUKPHOONFI-ITGUQSILSA-N 3 1 302.444 -1.191 20 0 DAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090818899 776857183 /nfs/dbraw/zinc/85/71/83/776857183.db2.gz XLZMVTFLCVWQHW-UONOGXRCSA-N 2 1 322.413 -1.075 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292606689 777937018 /nfs/dbraw/zinc/93/70/18/777937018.db2.gz BFRSLOJHIGXJSN-GFCCVEGCSA-N 2 1 310.398 -1.355 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001292606689 777937036 /nfs/dbraw/zinc/93/70/36/777937036.db2.gz BFRSLOJHIGXJSN-GFCCVEGCSA-N 2 1 310.398 -1.355 20 0 DAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001120420643 779519685 /nfs/dbraw/zinc/51/96/85/779519685.db2.gz MVWOZBRVBFNRSY-FDYHWXHSSA-N 2 1 310.398 -1.181 20 0 DAADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220301 779608235 /nfs/dbraw/zinc/60/82/35/779608235.db2.gz GLGYIRJBJPNPKW-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220301 779608239 /nfs/dbraw/zinc/60/82/39/779608239.db2.gz GLGYIRJBJPNPKW-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cc1=O ZINC001125213893 779609121 /nfs/dbraw/zinc/60/91/21/779609121.db2.gz MNAFEAQKNJIFJQ-CYBMUJFWSA-N 2 1 308.382 -1.078 20 0 DAADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1=O ZINC001125213893 779609124 /nfs/dbraw/zinc/60/91/24/779609124.db2.gz MNAFEAQKNJIFJQ-CYBMUJFWSA-N 2 1 308.382 -1.078 20 0 DAADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1=O ZINC001125213895 779609698 /nfs/dbraw/zinc/60/96/98/779609698.db2.gz MNAFEAQKNJIFJQ-ZDUSSCGKSA-N 2 1 308.382 -1.078 20 0 DAADMP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1=O ZINC001125213895 779609703 /nfs/dbraw/zinc/60/97/03/779609703.db2.gz MNAFEAQKNJIFJQ-ZDUSSCGKSA-N 2 1 308.382 -1.078 20 0 DAADMP CCOC(=O)CN(CC[NH3+])C(=O)CCN1CC[NH+](C)CC1 ZINC001143238120 779627189 /nfs/dbraw/zinc/62/71/89/779627189.db2.gz XJMCGSSLGPOPLR-UHFFFAOYSA-N 2 1 300.403 -1.026 20 0 DAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150587992 779663498 /nfs/dbraw/zinc/66/34/98/779663498.db2.gz LHLXIJSVNXLBDI-ZDUSSCGKSA-N 2 1 303.403 -1.236 20 0 DAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151049640 779669172 /nfs/dbraw/zinc/66/91/72/779669172.db2.gz VDVHZAKEIOVOBG-GFCCVEGCSA-N 2 1 318.443 -1.321 20 0 DAADMP Cn1c(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001151073107 779671643 /nfs/dbraw/zinc/67/16/43/779671643.db2.gz GBSZHHVPZYCOII-NSHDSACASA-N 2 1 323.397 -1.759 20 0 DAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151064687 779671826 /nfs/dbraw/zinc/67/18/26/779671826.db2.gz CZDPLANQOBDEEM-LLVKDONJSA-N 2 1 306.432 -1.417 20 0 DAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001151147783 779673197 /nfs/dbraw/zinc/67/31/97/779673197.db2.gz WJMOHFCNWUYKEP-UHFFFAOYSA-N 2 1 322.369 -1.114 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151740895 779684216 /nfs/dbraw/zinc/68/42/16/779684216.db2.gz ZEVOSBQYYKFZRY-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151740895 779684220 /nfs/dbraw/zinc/68/42/20/779684220.db2.gz ZEVOSBQYYKFZRY-GFCCVEGCSA-N 2 1 300.403 -1.061 20 0 DAADMP C[NH+]1CCN(c2ccc(N(CC[NH3+])S(C)(=O)=O)nn2)CC1 ZINC001154765718 779725620 /nfs/dbraw/zinc/72/56/20/779725620.db2.gz HQZSOFNQHZVROQ-UHFFFAOYSA-N 2 1 314.415 -1.047 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001156124882 779738419 /nfs/dbraw/zinc/73/84/19/779738419.db2.gz ANILKJLAUYMHOE-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001156124882 779738427 /nfs/dbraw/zinc/73/84/27/779738427.db2.gz ANILKJLAUYMHOE-NWDGAFQWSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125549 779738558 /nfs/dbraw/zinc/73/85/58/779738558.db2.gz OCXHDTSYWRUHEY-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(N)=O ZINC001156125549 779738561 /nfs/dbraw/zinc/73/85/61/779738561.db2.gz OCXHDTSYWRUHEY-UWVGGRQHSA-N 2 1 315.374 -2.004 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001156126092 779738682 /nfs/dbraw/zinc/73/86/82/779738682.db2.gz RSJYOXMKOAJWHG-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001156126092 779738684 /nfs/dbraw/zinc/73/86/84/779738684.db2.gz RSJYOXMKOAJWHG-GFCCVEGCSA-N 2 1 321.443 -1.152 20 0 DAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001156144902 779740384 /nfs/dbraw/zinc/74/03/84/779740384.db2.gz GYZCEIPWKCFCCE-MNOVXSKESA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001156144902 779740391 /nfs/dbraw/zinc/74/03/91/779740391.db2.gz GYZCEIPWKCFCCE-MNOVXSKESA-N 2 1 312.370 -1.782 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001156146443 779741035 /nfs/dbraw/zinc/74/10/35/779741035.db2.gz YXHOJGYXYNDROR-GFCCVEGCSA-N 2 1 313.402 -1.562 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001156146443 779741038 /nfs/dbraw/zinc/74/10/38/779741038.db2.gz YXHOJGYXYNDROR-GFCCVEGCSA-N 2 1 313.402 -1.562 20 0 DAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc2n(n1)CC[NH2+]C2 ZINC001157354599 779752558 /nfs/dbraw/zinc/75/25/58/779752558.db2.gz GEZUWCKVHKBZGH-NSHDSACASA-N 2 1 308.386 -1.040 20 0 DAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102582 779767221 /nfs/dbraw/zinc/76/72/21/779767221.db2.gz UJNZOZLGQRKQJI-IUODEOHRSA-N 3 1 324.429 -2.573 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158102724 779767482 /nfs/dbraw/zinc/76/74/82/779767482.db2.gz WDGRSBJQQHFMGK-WBMJQRKESA-N 2 1 323.441 -1.251 20 0 DAADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158112120 779767930 /nfs/dbraw/zinc/76/79/30/779767930.db2.gz VPTIUSCUNCBWPJ-CQSZACIVSA-N 2 1 304.354 -1.710 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111421 779768141 /nfs/dbraw/zinc/76/81/41/779768141.db2.gz NQXIKAHCRROQPG-BONVTDFDSA-N 2 1 324.381 -1.795 20 0 DAADMP O=C(c1cnn2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158112498 779768582 /nfs/dbraw/zinc/76/85/82/779768582.db2.gz YVSJJJFZQXOECH-CQSZACIVSA-N 2 1 304.354 -1.710 20 0 DAADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158112119 779768903 /nfs/dbraw/zinc/76/89/03/779768903.db2.gz VPTIUSCUNCBWPJ-AWEZNQCLSA-N 2 1 304.354 -1.710 20 0 DAADMP [NH3+]CCCNCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277134 779772439 /nfs/dbraw/zinc/77/24/39/779772439.db2.gz JSOFTAAJGDEQRZ-UHFFFAOYSA-N 2 1 307.402 -1.363 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001158890173 779781287 /nfs/dbraw/zinc/78/12/87/779781287.db2.gz AZYWLKXCQVTWBP-STQMWFEESA-N 2 1 324.425 -1.088 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158890819 779781443 /nfs/dbraw/zinc/78/14/43/779781443.db2.gz NXIDLLVRJCLIPY-QWHCGFSZSA-N 2 1 324.425 -1.230 20 0 DAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001158890817 779782322 /nfs/dbraw/zinc/78/23/22/779782322.db2.gz NXIDLLVRJCLIPY-CHWSQXEVSA-N 2 1 324.425 -1.230 20 0 DAADMP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001159085699 779786780 /nfs/dbraw/zinc/78/67/80/779786780.db2.gz XRMOPYSCLLTJSU-SDDRHHMPSA-N 2 1 306.370 -1.198 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]2C1 ZINC001159634716 779796070 /nfs/dbraw/zinc/79/60/70/779796070.db2.gz CGVCBFFNSHHVFG-ZIAGYGMSSA-N 2 1 314.430 -1.270 20 0 DAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H](O)C[NH3+])CC[C@@H]2C1 ZINC001159635372 779796481 /nfs/dbraw/zinc/79/64/81/779796481.db2.gz MHNBRSONQPNLJO-MGPQQGTHSA-N 2 1 315.414 -1.108 20 0 DAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159876448 779797012 /nfs/dbraw/zinc/79/70/12/779797012.db2.gz ITTWGEFECJDMIY-LBPRGKRZSA-N 2 1 310.402 -1.345 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001159875836 779797318 /nfs/dbraw/zinc/79/73/18/779797318.db2.gz BZWSSRVUOKIHPO-RYUDHWBXSA-N 2 1 310.402 -1.217 20 0 DAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(N)=O ZINC001159875834 779797377 /nfs/dbraw/zinc/79/73/77/779797377.db2.gz BZWSSRVUOKIHPO-NEPJUHHUSA-N 2 1 310.402 -1.217 20 0 DAADMP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCC2 ZINC001160324105 779804676 /nfs/dbraw/zinc/80/46/76/779804676.db2.gz PVXJAGXYSJXJJG-NSHDSACASA-N 2 1 308.386 -1.072 20 0 DAADMP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160495905 779809644 /nfs/dbraw/zinc/80/96/44/779809644.db2.gz ZXMGOPYDRITOTE-ACLDMZEESA-N 2 1 305.356 -1.721 20 0 DAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)O1 ZINC001160850768 779821026 /nfs/dbraw/zinc/82/10/26/779821026.db2.gz GWPHDIKJBYMVIP-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)O1 ZINC001160850768 779821031 /nfs/dbraw/zinc/82/10/31/779821031.db2.gz GWPHDIKJBYMVIP-VXGBXAGGSA-N 2 1 300.403 -1.110 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862216 779821866 /nfs/dbraw/zinc/82/18/66/779821866.db2.gz HJDXRFSEVNDCRR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862216 779821871 /nfs/dbraw/zinc/82/18/71/779821871.db2.gz HJDXRFSEVNDCRR-VXGBXAGGSA-N 2 1 300.403 -1.063 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915513 779822535 /nfs/dbraw/zinc/82/25/35/779822535.db2.gz BSNBGCMAGRGHLH-ZDUSSCGKSA-N 2 1 319.413 -1.468 20 0 DAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010446 779824662 /nfs/dbraw/zinc/82/46/62/779824662.db2.gz JTZUILBVIDHMJI-NSHDSACASA-N 2 1 306.370 -1.290 20 0 DAADMP C[N@H+]1C[C@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001161035168 779824727 /nfs/dbraw/zinc/82/47/27/779824727.db2.gz UNIGZKPTCYFKCB-NWDGAFQWSA-N 2 1 310.398 -1.085 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)CC1 ZINC001161380874 779835254 /nfs/dbraw/zinc/83/52/54/779835254.db2.gz WJBFFOSXUOLIMR-KBPBESRZSA-N 3 1 323.441 -1.659 20 0 DAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1 ZINC001161379972 779835818 /nfs/dbraw/zinc/83/58/18/779835818.db2.gz SKAFVKCWYUAKHH-UONOGXRCSA-N 4 1 307.442 -1.181 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380342 779836055 /nfs/dbraw/zinc/83/60/55/779836055.db2.gz USZAWJAWAZWUMS-GMXVVIOVSA-N 3 1 311.430 -1.138 20 0 DAADMP C[N@H+]1C[C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510659 779839747 /nfs/dbraw/zinc/83/97/47/779839747.db2.gz QOWKESMXYJYGAW-STQMWFEESA-N 3 1 324.425 -1.375 20 0 DAADMP CN1C[C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001161510659 779839755 /nfs/dbraw/zinc/83/97/55/779839755.db2.gz QOWKESMXYJYGAW-STQMWFEESA-N 2 1 324.425 -1.375 20 0 DAADMP CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+] ZINC001161491591 779840952 /nfs/dbraw/zinc/84/09/52/779840952.db2.gz FYUQGFAFIXRPSS-XQQFMLRXSA-N 3 1 312.414 -1.376 20 0 DAADMP CO[C@@H]1CN(C(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+] ZINC001161491591 779840960 /nfs/dbraw/zinc/84/09/60/779840960.db2.gz FYUQGFAFIXRPSS-XQQFMLRXSA-N 2 1 312.414 -1.376 20 0 DAADMP [NH3+][C@@H]1NCN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162438439 779855414 /nfs/dbraw/zinc/85/54/14/779855414.db2.gz YSYBXIJRHIFHSA-XQQFMLRXSA-N 2 1 305.390 -2.617 20 0 DAADMP [NH3+]C1CCN(c2cccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2)CC1 ZINC001162446156 779858458 /nfs/dbraw/zinc/85/84/58/779858458.db2.gz HCHFGXBRINRRAT-ILXRZTDVSA-N 2 1 318.429 -1.494 20 0 DAADMP [NH3+]C1CCN(c2ccnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2)CC1 ZINC001162447127 779859970 /nfs/dbraw/zinc/85/99/70/779859970.db2.gz LOQCHZHRZXPVGF-AGIUHOORSA-N 2 1 319.417 -2.099 20 0 DAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001162872208 779862861 /nfs/dbraw/zinc/86/28/61/779862861.db2.gz KMUGQIZGOKEUIF-BVWOZKJXSA-N 2 1 310.398 -1.181 20 0 DAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166708779 779891622 /nfs/dbraw/zinc/89/16/22/779891622.db2.gz WAMRILRHZLLRMD-GHMZBOCLSA-N 2 1 313.402 -1.264 20 0 DAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166691821 779892552 /nfs/dbraw/zinc/89/25/52/779892552.db2.gz NXGUCKDSHNRYJD-RYUDHWBXSA-N 2 1 320.459 -1.171 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203708833 779897686 /nfs/dbraw/zinc/89/76/86/779897686.db2.gz FFUBKJDIYDWXHT-UHFFFAOYSA-N 2 1 322.369 -1.033 20 0 DAADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876451 779900635 /nfs/dbraw/zinc/90/06/35/779900635.db2.gz WSTDYJZOIVTEIU-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876451 779900641 /nfs/dbraw/zinc/90/06/41/779900641.db2.gz WSTDYJZOIVTEIU-ZDUSSCGKSA-N 2 1 312.414 -1.109 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001207733865 779925216 /nfs/dbraw/zinc/92/52/16/779925216.db2.gz ABZFFRMKQWYVBX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001207733865 779925217 /nfs/dbraw/zinc/92/52/17/779925217.db2.gz ABZFFRMKQWYVBX-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495928 779942656 /nfs/dbraw/zinc/94/26/56/779942656.db2.gz DEMWIZSPCZYETP-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495928 779942661 /nfs/dbraw/zinc/94/26/61/779942661.db2.gz DEMWIZSPCZYETP-VXGBXAGGSA-N 2 1 320.459 -1.076 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210514464 779963261 /nfs/dbraw/zinc/96/32/61/779963261.db2.gz TXSSMWMAXCMJPW-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210514464 779963278 /nfs/dbraw/zinc/96/32/78/779963278.db2.gz TXSSMWMAXCMJPW-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210514464 779963286 /nfs/dbraw/zinc/96/32/86/779963286.db2.gz TXSSMWMAXCMJPW-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210514464 779963287 /nfs/dbraw/zinc/96/32/87/779963287.db2.gz TXSSMWMAXCMJPW-GHMZBOCLSA-N 2 1 313.402 -1.040 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211065747 779967009 /nfs/dbraw/zinc/96/70/09/779967009.db2.gz ZDLWAZXCYAUUIA-QWRGUYRKSA-N 2 1 311.386 -1.286 20 0 DAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025287 779967046 /nfs/dbraw/zinc/96/70/46/779967046.db2.gz IQODZKDUDMWOHU-GMTAPVOTSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025287 779967047 /nfs/dbraw/zinc/96/70/47/779967047.db2.gz IQODZKDUDMWOHU-GMTAPVOTSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211025287 779967051 /nfs/dbraw/zinc/96/70/51/779967051.db2.gz IQODZKDUDMWOHU-GMTAPVOTSA-N 2 1 311.386 -1.431 20 0 DAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025287 779967054 /nfs/dbraw/zinc/96/70/54/779967054.db2.gz IQODZKDUDMWOHU-GMTAPVOTSA-N 2 1 311.386 -1.431 20 0 DAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638203 779983491 /nfs/dbraw/zinc/98/34/91/779983491.db2.gz DAHGVZMINOLUMD-ZIAGYGMSSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859787 779985701 /nfs/dbraw/zinc/98/57/01/779985701.db2.gz KRZISXWDIZQYOS-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859787 779985706 /nfs/dbraw/zinc/98/57/06/779985706.db2.gz KRZISXWDIZQYOS-BFHYXJOUSA-N 2 1 315.414 -1.095 20 0 DAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389444 779993500 /nfs/dbraw/zinc/99/35/00/779993500.db2.gz ZDBXNBYVODCCHE-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389444 779993510 /nfs/dbraw/zinc/99/35/10/779993510.db2.gz ZDBXNBYVODCCHE-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216756103 780014772 /nfs/dbraw/zinc/01/47/72/780014772.db2.gz SEYNLPSVJJRIQL-MWLCHTKSSA-N 2 1 322.369 -1.177 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216852330 780017197 /nfs/dbraw/zinc/01/71/97/780017197.db2.gz ULMBDVSDYIUNNG-GHMZBOCLSA-N 2 1 313.402 -1.042 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)cn2)CC1 ZINC001218580553 780034394 /nfs/dbraw/zinc/03/43/94/780034394.db2.gz ROSYFTUOWUAZOQ-RYUDHWBXSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3N)cn2)CC1 ZINC001218580377 780034804 /nfs/dbraw/zinc/03/48/04/780034804.db2.gz OYDSJXWDNMTJRT-RYUDHWBXSA-N 2 1 305.386 -1.286 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)ncn2)CC1 ZINC001218572785 780035144 /nfs/dbraw/zinc/03/51/44/780035144.db2.gz NQKPEXYXMCCSMM-MFKMUULPSA-N 2 1 306.370 -1.110 20 0 DAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3O)cn2)CC1 ZINC001218579563 780035239 /nfs/dbraw/zinc/03/52/39/780035239.db2.gz FQDDUVLIZZVAPF-RYUDHWBXSA-N 2 1 306.370 -1.253 20 0 DAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3N)ncn2)CC1 ZINC001218572146 780035732 /nfs/dbraw/zinc/03/57/32/780035732.db2.gz FJKUXEDLTLSDKN-QWRGUYRKSA-N 2 1 305.386 -1.286 20 0 DAADMP Nc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218912531 780044091 /nfs/dbraw/zinc/04/40/91/780044091.db2.gz CPMBJLSYYJBOTQ-UHFFFAOYSA-N 2 1 301.372 -1.207 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218965747 780044910 /nfs/dbraw/zinc/04/49/10/780044910.db2.gz RYLOQZFZIZNJSN-QWHCGFSZSA-N 2 1 301.387 -1.532 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218965747 780044921 /nfs/dbraw/zinc/04/49/21/780044921.db2.gz RYLOQZFZIZNJSN-QWHCGFSZSA-N 2 1 301.387 -1.532 20 0 DAADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970565 780046156 /nfs/dbraw/zinc/04/61/56/780046156.db2.gz JVYIIHYPDRBEJC-HZSPNIEDSA-N 2 1 315.414 -1.143 20 0 DAADMP CC(C)[C@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678136 780132144 /nfs/dbraw/zinc/13/21/44/780132144.db2.gz DYHDUSKVMJNRNR-NSHDSACASA-N 2 1 306.432 -1.432 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001219676759 780132148 /nfs/dbraw/zinc/13/21/48/780132148.db2.gz WLYHRUONTMQBHS-YPMHNXCESA-N 2 1 316.427 -1.663 20 0 DAADMP N[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001219678163 780132391 /nfs/dbraw/zinc/13/23/91/780132391.db2.gz GAXQRBHTYAJKFB-LLVKDONJSA-N 2 1 305.404 -2.972 20 0 DAADMP [NH3+][C@@H]1COC[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678247 780132417 /nfs/dbraw/zinc/13/24/17/780132417.db2.gz IJDLDGZFGLMIIX-VHSXEESVSA-N 2 1 306.388 -2.689 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001219676538 780132762 /nfs/dbraw/zinc/13/27/62/780132762.db2.gz OCARMGUZCCDUFT-WCQYABFASA-N 2 1 316.427 -1.663 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]C1 ZINC001219676133 780132778 /nfs/dbraw/zinc/13/27/78/780132778.db2.gz AEYMLYGKJWVSAT-GFCCVEGCSA-N 2 1 318.443 -1.273 20 0 DAADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676582 780132884 /nfs/dbraw/zinc/13/28/84/780132884.db2.gz PNWXHRWGWNZBHY-VXGBXAGGSA-N 2 1 318.443 -1.274 20 0 DAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCCO1 ZINC001219676236 780133014 /nfs/dbraw/zinc/13/30/14/780133014.db2.gz CFQHLUHFVICBEL-NSHDSACASA-N 2 1 320.415 -2.284 20 0 DAADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678532 780133888 /nfs/dbraw/zinc/13/38/88/780133888.db2.gz RTISQCVLLIBYKT-LLVKDONJSA-N 2 1 318.443 -1.417 20 0 DAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678474 780134260 /nfs/dbraw/zinc/13/42/60/780134260.db2.gz PEKWUASKEABPDD-GHMZBOCLSA-N 2 1 304.416 -1.535 20 0 DAADMP N[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001219678499 780134523 /nfs/dbraw/zinc/13/45/23/780134523.db2.gz QSRCWYQEAYITEF-LBPRGKRZSA-N 2 1 319.431 -2.582 20 0 DAADMP [NH3+][C@@H](CC(F)F)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678579 780134740 /nfs/dbraw/zinc/13/47/40/780134740.db2.gz UKMDMZFECIMLCP-QMMMGPOBSA-N 2 1 314.358 -1.680 20 0 DAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739045 780141835 /nfs/dbraw/zinc/14/18/35/780141835.db2.gz GABSUDSSXCRTKH-STQMWFEESA-N 2 1 311.430 -1.769 20 0 DAADMP O=C(NCc1nnc2n1CCCNC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219748994 780142603 /nfs/dbraw/zinc/14/26/03/780142603.db2.gz GSPBSCGEIPYYMH-SNVBAGLBSA-N 2 1 305.386 -1.803 20 0 DAADMP O=C(NCc1nnc2n1CCC[NH2+]C2)c1nnn2c1C[NH2+]CC2 ZINC001219750373 780143194 /nfs/dbraw/zinc/14/31/94/780143194.db2.gz AGWAPAIFPAIBME-UHFFFAOYSA-N 2 1 317.357 -1.604 20 0 DAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219765146 780143993 /nfs/dbraw/zinc/14/39/93/780143993.db2.gz WAIYZDDZUZZRGB-TYNCELHUSA-N 2 1 307.398 -1.095 20 0 DAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219765146 780144001 /nfs/dbraw/zinc/14/40/01/780144001.db2.gz WAIYZDDZUZZRGB-TYNCELHUSA-N 2 1 307.398 -1.095 20 0 DAADMP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765095 780144083 /nfs/dbraw/zinc/14/40/83/780144083.db2.gz UTEXHURFZLIUGY-WOPDTQHZSA-N 2 1 312.418 -1.828 20 0 DAADMP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765095 780144089 /nfs/dbraw/zinc/14/40/89/780144089.db2.gz UTEXHURFZLIUGY-WOPDTQHZSA-N 2 1 312.418 -1.828 20 0 DAADMP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766533 780144681 /nfs/dbraw/zinc/14/46/81/780144681.db2.gz VWPKCGSLVYJODE-RFGFWPKPSA-N 2 1 310.398 -1.453 20 0 DAADMP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766533 780144682 /nfs/dbraw/zinc/14/46/82/780144682.db2.gz VWPKCGSLVYJODE-RFGFWPKPSA-N 2 1 310.398 -1.453 20 0 DAADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765778 780144738 /nfs/dbraw/zinc/14/47/38/780144738.db2.gz AZUGFFMDSKEYJQ-CRWXNKLISA-N 2 1 323.441 -1.266 20 0 DAADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765778 780144744 /nfs/dbraw/zinc/14/47/44/780144744.db2.gz AZUGFFMDSKEYJQ-CRWXNKLISA-N 2 1 323.441 -1.266 20 0 DAADMP [NH3+]CCNC(=O)/C=C/C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793623 780147770 /nfs/dbraw/zinc/14/77/70/780147770.db2.gz IYYOASFUJSURGT-OWOJBTEDSA-N 2 1 323.441 -1.050 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219806268 780149410 /nfs/dbraw/zinc/14/94/10/780149410.db2.gz PXYGCXUZLJLAHO-GHMZBOCLSA-N 2 1 307.354 -2.067 20 0 DAADMP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)OC1 ZINC001219806085 780149586 /nfs/dbraw/zinc/14/95/86/780149586.db2.gz JGPZWYHVTQIVDA-PWSUYJOCSA-N 2 1 321.381 -1.141 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001219806446 780149614 /nfs/dbraw/zinc/14/96/14/780149614.db2.gz WSSXQFFKTFPUHP-ZYHUDNBSSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001219806445 780150239 /nfs/dbraw/zinc/15/02/39/780150239.db2.gz WSSXQFFKTFPUHP-PWSUYJOCSA-N 2 1 321.381 -1.677 20 0 DAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219805688 780150274 /nfs/dbraw/zinc/15/02/74/780150274.db2.gz BQGCXNNWRMMRQG-QWRGUYRKSA-N 2 1 307.354 -1.924 20 0 DAADMP [NH3+][C@@H]1COC[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808168 780150569 /nfs/dbraw/zinc/15/05/69/780150569.db2.gz WCOCXBQXVPXZFO-WDEREUQCSA-N 2 1 307.354 -1.674 20 0 DAADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219866848 780159327 /nfs/dbraw/zinc/15/93/27/780159327.db2.gz BGEBPPJUVHIKHK-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219866848 780159333 /nfs/dbraw/zinc/15/93/33/780159333.db2.gz BGEBPPJUVHIKHK-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219866848 780159337 /nfs/dbraw/zinc/15/93/37/780159337.db2.gz BGEBPPJUVHIKHK-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219866848 780159345 /nfs/dbraw/zinc/15/93/45/780159345.db2.gz BGEBPPJUVHIKHK-YIYPIFLZSA-N 2 1 315.414 -1.097 20 0 DAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980506 780168530 /nfs/dbraw/zinc/16/85/30/780168530.db2.gz JLFVRMJGLKUZPG-SRVKXCTJSA-N 2 1 300.403 -1.341 20 0 DAADMP Cc1[nH+]c(N)ccc1CNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220071472 780174995 /nfs/dbraw/zinc/17/49/95/780174995.db2.gz FDUBDRJEVNTJHN-UHFFFAOYSA-N 2 1 315.399 -1.191 20 0 DAADMP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220140971 780184129 /nfs/dbraw/zinc/18/41/29/780184129.db2.gz DINXUWVYSHCPBJ-SRVKXCTJSA-N 2 1 318.443 -1.571 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220230467 780192945 /nfs/dbraw/zinc/19/29/45/780192945.db2.gz GMGBSYOQHJOQFE-OLZOCXBDSA-N 2 1 322.413 -1.219 20 0 DAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220230467 780192950 /nfs/dbraw/zinc/19/29/50/780192950.db2.gz GMGBSYOQHJOQFE-OLZOCXBDSA-N 2 1 322.413 -1.219 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237329 780194003 /nfs/dbraw/zinc/19/40/03/780194003.db2.gz SYXKFLYFSKLWHQ-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220237187 780194221 /nfs/dbraw/zinc/19/42/21/780194221.db2.gz QHJXOKMUAUPFOV-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220238411 780194377 /nfs/dbraw/zinc/19/43/77/780194377.db2.gz VFHDQNVPEONPAN-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220238411 780194380 /nfs/dbraw/zinc/19/43/80/780194380.db2.gz VFHDQNVPEONPAN-OLZOCXBDSA-N 2 1 310.402 -1.219 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220253884 780197387 /nfs/dbraw/zinc/19/73/87/780197387.db2.gz GKTZVLKYWBPLAQ-DCAQKATOSA-N 2 1 313.402 -1.706 20 0 DAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274841 780198666 /nfs/dbraw/zinc/19/86/66/780198666.db2.gz GGJYRMXZGYJALF-OLZOCXBDSA-N 2 1 303.403 -1.238 20 0 DAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220276435 780198782 /nfs/dbraw/zinc/19/87/82/780198782.db2.gz AHOUUBVLSBHIOF-UPJWGTAASA-N 2 1 322.413 -1.122 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220304317 780199573 /nfs/dbraw/zinc/19/95/73/780199573.db2.gz YCXUKBVIIWIRPN-CYBMUJFWSA-N 2 1 311.430 -1.930 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297286 780200049 /nfs/dbraw/zinc/20/00/49/780200049.db2.gz SXODHOSFOBTYGD-YIYPIFLZSA-N 2 1 317.430 -1.259 20 0 DAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001220306822 780202043 /nfs/dbraw/zinc/20/20/43/780202043.db2.gz PDVFACPQFZVQKV-ZDUSSCGKSA-N 2 1 311.430 -1.310 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001220377928 780208241 /nfs/dbraw/zinc/20/82/41/780208241.db2.gz UGTNQVVMVWIEDO-AGIUHOORSA-N 2 1 303.403 -1.503 20 0 DAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[NH+](C)C ZINC001220377928 780208247 /nfs/dbraw/zinc/20/82/47/780208247.db2.gz UGTNQVVMVWIEDO-AGIUHOORSA-N 2 1 303.403 -1.503 20 0 DAADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387904 780208415 /nfs/dbraw/zinc/20/84/15/780208415.db2.gz VETTWDVYAVXJRW-MCIONIFRSA-N 2 1 315.414 -1.359 20 0 DAADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387904 780208420 /nfs/dbraw/zinc/20/84/20/780208420.db2.gz VETTWDVYAVXJRW-MCIONIFRSA-N 2 1 315.414 -1.359 20 0 DAADMP CN(CC[NH3+])CCNC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220515760 780221856 /nfs/dbraw/zinc/22/18/56/780221856.db2.gz JUFUJCGDQUSMPL-ZDUSSCGKSA-N 3 1 313.446 -1.554 20 0 DAADMP CN(CC[NH3+])CCNC(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001220515760 780221862 /nfs/dbraw/zinc/22/18/62/780221862.db2.gz JUFUJCGDQUSMPL-ZDUSSCGKSA-N 2 1 313.446 -1.554 20 0 DAADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553916 780225920 /nfs/dbraw/zinc/22/59/20/780225920.db2.gz XZOUTYJVFVRUJF-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553916 780225923 /nfs/dbraw/zinc/22/59/23/780225923.db2.gz XZOUTYJVFVRUJF-MCIONIFRSA-N 2 1 315.414 -1.095 20 0 DAADMP COCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553619 780227169 /nfs/dbraw/zinc/22/71/69/780227169.db2.gz NACNWIULNYMEPO-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP COCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553619 780227174 /nfs/dbraw/zinc/22/71/74/780227174.db2.gz NACNWIULNYMEPO-KGLIPLIRSA-N 2 1 315.414 -1.094 20 0 DAADMP COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220575104 780228199 /nfs/dbraw/zinc/22/81/99/780228199.db2.gz GFXWCZTUPPLJDM-JTQLQIEISA-N 2 1 315.374 -2.858 20 0 DAADMP COCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637332 780237461 /nfs/dbraw/zinc/23/74/61/780237461.db2.gz BSVQNCDGYIHORM-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220764666 780246125 /nfs/dbraw/zinc/24/61/25/780246125.db2.gz RSOYTSSZBMXAFS-MCIONIFRSA-N 2 1 315.414 -1.238 20 0 DAADMP COC(=O)[C@H](Cc1cncn1C)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220769140 780247248 /nfs/dbraw/zinc/24/72/48/780247248.db2.gz JDWKDPHUPSEBFH-ZDUSSCGKSA-N 2 1 323.397 -1.038 20 0 DAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771350 780247599 /nfs/dbraw/zinc/24/75/99/780247599.db2.gz PJNPTRVMCRYLCL-UPJWGTAASA-N 2 1 313.398 -1.749 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220829158 780249955 /nfs/dbraw/zinc/24/99/55/780249955.db2.gz LAXMLLOUIGQOKJ-UPJWGTAASA-N 2 1 312.414 -1.232 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830634 780250229 /nfs/dbraw/zinc/25/02/29/780250229.db2.gz FMVXVNRKSSUAPV-XQQFMLRXSA-N 2 1 314.430 -1.034 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001220829527 780250861 /nfs/dbraw/zinc/25/08/61/780250861.db2.gz WCWPGWFVLWHETJ-XQQFMLRXSA-N 2 1 303.403 -1.503 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220829430 780251329 /nfs/dbraw/zinc/25/13/29/780251329.db2.gz SAWMJKLBLVZQDY-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220829430 780251331 /nfs/dbraw/zinc/25/13/31/780251331.db2.gz SAWMJKLBLVZQDY-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220829430 780251335 /nfs/dbraw/zinc/25/13/35/780251335.db2.gz SAWMJKLBLVZQDY-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220829430 780251342 /nfs/dbraw/zinc/25/13/42/780251342.db2.gz SAWMJKLBLVZQDY-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001220826294 780251353 /nfs/dbraw/zinc/25/13/53/780251353.db2.gz WPFSGZLLVFLANV-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220826294 780251359 /nfs/dbraw/zinc/25/13/59/780251359.db2.gz WPFSGZLLVFLANV-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220826294 780251363 /nfs/dbraw/zinc/25/13/63/780251363.db2.gz WPFSGZLLVFLANV-MJBXVCDLSA-N 2 1 317.430 -1.113 20 0 DAADMP CSCC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220839843 780251376 /nfs/dbraw/zinc/25/13/76/780251376.db2.gz DSJQIIDRSJRXSG-QWRGUYRKSA-N 2 1 317.459 -1.540 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001220872313 780254354 /nfs/dbraw/zinc/25/43/54/780254354.db2.gz UCONIPSGBTUAAT-IUODEOHRSA-N 2 1 310.398 -1.307 20 0 DAADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874903 780255011 /nfs/dbraw/zinc/25/50/11/780255011.db2.gz QPFUQOMXSAYUSB-QWRGUYRKSA-N 2 1 311.386 -2.127 20 0 DAADMP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220874676 780255081 /nfs/dbraw/zinc/25/50/81/780255081.db2.gz LGVCCGWYJQURGU-LBPRGKRZSA-N 2 1 311.430 -1.393 20 0 DAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220874676 780255085 /nfs/dbraw/zinc/25/50/85/780255085.db2.gz LGVCCGWYJQURGU-LBPRGKRZSA-N 2 1 311.430 -1.393 20 0 DAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220872095 780255252 /nfs/dbraw/zinc/25/52/52/780255252.db2.gz KCYJXNMPENTVNG-LBPRGKRZSA-N 3 1 309.414 -1.591 20 0 DAADMP N[C@@H]1C[C@]2(C(=O)NCCN(CC[NH3+])N(O)N=O)CC[C@H]1[NH2+]2 ZINC001220900193 780256221 /nfs/dbraw/zinc/25/62/21/780256221.db2.gz CXPAJWXIULOELJ-KKZNHRDASA-N 2 1 301.351 -2.127 20 0 DAADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975997 780265409 /nfs/dbraw/zinc/26/54/09/780265409.db2.gz FAUHHCZARXUGDJ-MJBXVCDLSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975997 780265410 /nfs/dbraw/zinc/26/54/10/780265410.db2.gz FAUHHCZARXUGDJ-MJBXVCDLSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975997 780265413 /nfs/dbraw/zinc/26/54/13/780265413.db2.gz FAUHHCZARXUGDJ-MJBXVCDLSA-N 2 1 315.414 -1.238 20 0 DAADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975997 780265417 /nfs/dbraw/zinc/26/54/17/780265417.db2.gz FAUHHCZARXUGDJ-MJBXVCDLSA-N 2 1 315.414 -1.238 20 0 DAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089524 780274725 /nfs/dbraw/zinc/27/47/25/780274725.db2.gz JUHNQGHTQUSWDN-XQQFMLRXSA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089524 780274732 /nfs/dbraw/zinc/27/47/32/780274732.db2.gz JUHNQGHTQUSWDN-XQQFMLRXSA-N 2 1 303.403 -1.505 20 0 DAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089524 780274738 /nfs/dbraw/zinc/27/47/38/780274738.db2.gz JUHNQGHTQUSWDN-XQQFMLRXSA-N 2 1 303.403 -1.505 20 0 DAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221244317 780285647 /nfs/dbraw/zinc/28/56/47/780285647.db2.gz WGJAMDVPQONLSJ-BHDSKKPTSA-N 2 1 313.402 -1.706 20 0 DAADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265567 780287399 /nfs/dbraw/zinc/28/73/99/780287399.db2.gz MOXIVIWZMNYLDV-NUGNTBJXSA-N 2 1 300.407 -1.962 20 0 DAADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265568 780287547 /nfs/dbraw/zinc/28/75/47/780287547.db2.gz MOXIVIWZMNYLDV-QTKMDUPCSA-N 2 1 300.407 -1.962 20 0 DAADMP C[NH+]1CCC(CO)(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001221407379 780294034 /nfs/dbraw/zinc/29/40/34/780294034.db2.gz YEUUJABMZQSQNP-ZDUSSCGKSA-N 2 1 313.446 -1.690 20 0 DAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221946751 780305168 /nfs/dbraw/zinc/30/51/68/780305168.db2.gz ALRQGGQYARYYSM-HZSPNIEDSA-N 2 1 324.425 -1.014 20 0 DAADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221946751 780305175 /nfs/dbraw/zinc/30/51/75/780305175.db2.gz ALRQGGQYARYYSM-HZSPNIEDSA-N 2 1 324.425 -1.014 20 0 DAADMP O=C1NCC[C@]12CN(Cc1cn3c(n1)C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222521500 780310804 /nfs/dbraw/zinc/31/08/04/780310804.db2.gz TZWPJRYUJMTKMI-INIZCTEOSA-N 2 1 316.409 -1.102 20 0 DAADMP O=C1NCC[C@@]12CN(Cc1cn3c(n1)C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222521501 780310863 /nfs/dbraw/zinc/31/08/63/780310863.db2.gz TZWPJRYUJMTKMI-MRXNPFEDSA-N 2 1 316.409 -1.102 20 0 DAADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226554370 780334226 /nfs/dbraw/zinc/33/42/26/780334226.db2.gz LDMXECGDIUFIIF-LLVKDONJSA-N 2 1 311.386 -1.144 20 0 DAADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226554370 780334231 /nfs/dbraw/zinc/33/42/31/780334231.db2.gz LDMXECGDIUFIIF-LLVKDONJSA-N 2 1 311.386 -1.144 20 0 DAADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226721966 780335556 /nfs/dbraw/zinc/33/55/56/780335556.db2.gz BFFPEPMCDLFHMQ-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721966 780335558 /nfs/dbraw/zinc/33/55/58/780335558.db2.gz BFFPEPMCDLFHMQ-KGLIPLIRSA-N 2 1 315.414 -1.095 20 0 DAADMP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001231368819 780381865 /nfs/dbraw/zinc/38/18/65/780381865.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 2 1 315.414 -1.141 20 0 DAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2n1CC[NH2+]C2 ZINC001236316737 780421818 /nfs/dbraw/zinc/42/18/18/780421818.db2.gz UNDPMDZBKADQSS-UHFFFAOYSA-N 3 1 323.445 -1.398 20 0 DAADMP OC[C@H]1C[NH2+]C[C@H]1NC(=S)NCCC[NH+]1CCOCC1 ZINC001239378501 780444638 /nfs/dbraw/zinc/44/46/38/780444638.db2.gz RIHWVHKVQMELQI-VXGBXAGGSA-N 2 1 302.444 -1.247 20 0 DAADMP O[C@@H](C[N@H+]1CCNC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033333 780448034 /nfs/dbraw/zinc/44/80/34/780448034.db2.gz UZNJLJXMITVXPA-CQSZACIVSA-N 3 1 312.458 -1.121 20 0 DAADMP O[C@@H](CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025437 780448376 /nfs/dbraw/zinc/44/83/76/780448376.db2.gz REFGIZYWAVIHTG-ILXRZTDVSA-N 3 1 312.458 -1.122 20 0 DAADMP [NH3+]C1CN([C@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246046893 780449304 /nfs/dbraw/zinc/44/93/04/780449304.db2.gz APCQXTNPHLTQOI-GJZGRUSLSA-N 3 1 312.458 -1.041 20 0 DAADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246048510 780449314 /nfs/dbraw/zinc/44/93/14/780449314.db2.gz IVLWFJYEVUWUNF-CQSZACIVSA-N 3 1 300.447 -1.311 20 0 DAADMP COC(=O)[C@@]1(N)CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056450 780449492 /nfs/dbraw/zinc/44/94/92/780449492.db2.gz VPGUEGDCPBYALS-SMDDNHRTSA-N 2 1 301.387 -1.572 20 0 DAADMP O=c1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nc2n1CCC[NH2+]C2 ZINC001246128880 780450737 /nfs/dbraw/zinc/45/07/37/780450737.db2.gz CEIJRZIBUNCAHH-GFCCVEGCSA-N 3 1 318.425 -1.080 20 0 DAADMP O=S(=O)(CC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC001246104455 780451432 /nfs/dbraw/zinc/45/14/32/780451432.db2.gz XRKBUUKPHOONFI-CLLJXQQHSA-N 3 1 302.444 -1.191 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215349 780452279 /nfs/dbraw/zinc/45/22/79/780452279.db2.gz SNYWEMNNCYMQFZ-QWRGUYRKSA-N 3 1 312.418 -1.525 20 0 DAADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246632092 780455312 /nfs/dbraw/zinc/45/53/12/780455312.db2.gz ZEVDOZOVDBTNCW-BFQNTYOBSA-N 2 1 322.409 -1.309 20 0 DAADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246632092 780455318 /nfs/dbraw/zinc/45/53/18/780455318.db2.gz ZEVDOZOVDBTNCW-BFQNTYOBSA-N 2 1 322.409 -1.309 20 0 DAADMP CC[C@]1(C(=O)OC)C[C@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246624349 780455366 /nfs/dbraw/zinc/45/53/66/780455366.db2.gz UMUAKFIERCXDDL-TUKIKUTGSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]1 ZINC001246628584 780455713 /nfs/dbraw/zinc/45/57/13/780455713.db2.gz ODJSSINIICMUKW-HFAKWTLXSA-N 2 1 308.382 -1.699 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246582393 780455973 /nfs/dbraw/zinc/45/59/73/780455973.db2.gz XOMXDGIAYMNGRQ-HHHUOAJASA-N 2 1 300.355 -1.021 20 0 DAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C(=O)OC ZINC001246582393 780455978 /nfs/dbraw/zinc/45/59/78/780455978.db2.gz XOMXDGIAYMNGRQ-HHHUOAJASA-N 2 1 300.355 -1.021 20 0 DAADMP CC[C@]1(C(=O)OC)C[C@@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246624343 780456015 /nfs/dbraw/zinc/45/60/15/780456015.db2.gz UMUAKFIERCXDDL-KCPJHIHWSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246651990 780457078 /nfs/dbraw/zinc/45/70/78/780457078.db2.gz NMHNTJFCVPZCDR-LALPHHSUSA-N 2 1 310.398 -1.166 20 0 DAADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960862 780457953 /nfs/dbraw/zinc/45/79/53/780457953.db2.gz OQWFXKXGGCUFJP-QWHCGFSZSA-N 2 1 310.398 -1.214 20 0 DAADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C(C)=O ZINC001246960862 780457958 /nfs/dbraw/zinc/45/79/58/780457958.db2.gz OQWFXKXGGCUFJP-QWHCGFSZSA-N 2 1 310.398 -1.214 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246920249 780458006 /nfs/dbraw/zinc/45/80/06/780458006.db2.gz LKMMVIQBHLWIIU-CYBMUJFWSA-N 4 1 313.446 -1.377 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246920249 780458007 /nfs/dbraw/zinc/45/80/07/780458007.db2.gz LKMMVIQBHLWIIU-CYBMUJFWSA-N 4 1 313.446 -1.377 20 0 DAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246920252 780458161 /nfs/dbraw/zinc/45/81/61/780458161.db2.gz LKMMVIQBHLWIIU-ZDUSSCGKSA-N 4 1 313.446 -1.377 20 0 DAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246920252 780458166 /nfs/dbraw/zinc/45/81/66/780458166.db2.gz LKMMVIQBHLWIIU-ZDUSSCGKSA-N 4 1 313.446 -1.377 20 0 DAADMP CN(C[C@@H](O)C[NH2+]CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001278774761 780485420 /nfs/dbraw/zinc/48/54/20/780485420.db2.gz YZQCQJGRPWIQCH-JTQLQIEISA-N 2 1 300.359 -1.249 20 0 DAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC001256377449 780509051 /nfs/dbraw/zinc/50/90/51/780509051.db2.gz ZWRQLZNAGGRNSD-JTQLQIEISA-N 2 1 320.415 -1.042 20 0 DAADMP [NH3+][C@@H]1NCN(C2CCC([NH+]3CCOCC3)CC2)[C@H]2NCN[C@H]21 ZINC001256686784 780510909 /nfs/dbraw/zinc/51/09/09/780510909.db2.gz DHSBTRBQUAGQRZ-MMCPYJTDSA-N 2 1 310.446 -1.378 20 0 DAADMP [NH3+]CC1(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001261554364 780549168 /nfs/dbraw/zinc/54/91/68/780549168.db2.gz BYIQTVJAIAUVIL-NWDGAFQWSA-N 2 1 310.398 -1.491 20 0 DAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262067117 780566799 /nfs/dbraw/zinc/56/67/99/780566799.db2.gz SOZNMKYGOOOSJU-TXEJJXNPSA-N 2 1 300.403 -1.076 20 0 DAADMP CC(=O)N[C@H]1CCCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC001262194888 780568129 /nfs/dbraw/zinc/56/81/29/780568129.db2.gz HHLURPZLLCFZHZ-AWEZNQCLSA-N 2 1 311.430 -1.392 20 0 DAADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262544791 780574522 /nfs/dbraw/zinc/57/45/22/780574522.db2.gz KPXBHLWEUVUVIB-KGLIPLIRSA-N 2 1 323.441 -1.249 20 0 DAADMP CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001264108430 780582170 /nfs/dbraw/zinc/58/21/70/780582170.db2.gz IHUJJVCRMUJXAG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001264108430 780582176 /nfs/dbraw/zinc/58/21/76/780582176.db2.gz IHUJJVCRMUJXAG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001264108430 780582184 /nfs/dbraw/zinc/58/21/84/780582184.db2.gz IHUJJVCRMUJXAG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP CN(CCOCC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001264108430 780582189 /nfs/dbraw/zinc/58/21/89/780582189.db2.gz IHUJJVCRMUJXAG-GFCCVEGCSA-N 2 1 300.403 -1.027 20 0 DAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000386978568 780582857 /nfs/dbraw/zinc/58/28/57/780582857.db2.gz SBBPMVSVUJTYIC-LSDHHAIUSA-N 2 1 300.447 -1.095 20 0 DAADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001264525909 780586411 /nfs/dbraw/zinc/58/64/11/780586411.db2.gz YKIFAGPFDPJXTJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001264525909 780586417 /nfs/dbraw/zinc/58/64/17/780586417.db2.gz YKIFAGPFDPJXTJ-MGPQQGTHSA-N 2 1 315.414 -1.238 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001265570310 780604507 /nfs/dbraw/zinc/60/45/07/780604507.db2.gz YQNRFDXBACLQPI-SDDRHHMPSA-N 2 1 318.443 -1.276 20 0 DAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966885 780615751 /nfs/dbraw/zinc/61/57/51/780615751.db2.gz INWTYWXPPCJUHL-ZIAGYGMSSA-N 2 1 315.414 -1.236 20 0 DAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001265966885 780615757 /nfs/dbraw/zinc/61/57/57/780615757.db2.gz INWTYWXPPCJUHL-ZIAGYGMSSA-N 2 1 315.414 -1.236 20 0 DAADMP CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971681 780615959 /nfs/dbraw/zinc/61/59/59/780615959.db2.gz XBIMNUXRKGVGEH-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265971681 780615963 /nfs/dbraw/zinc/61/59/63/780615963.db2.gz XBIMNUXRKGVGEH-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CNC(=O)NC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265971681 780615966 /nfs/dbraw/zinc/61/59/66/780615966.db2.gz XBIMNUXRKGVGEH-LLVKDONJSA-N 2 1 313.402 -1.168 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)C1 ZINC001279911987 780629715 /nfs/dbraw/zinc/62/97/15/780629715.db2.gz PZLXXZKKMGUSLH-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](C)O)C1 ZINC001279911987 780629720 /nfs/dbraw/zinc/62/97/20/780629720.db2.gz PZLXXZKKMGUSLH-OLZOCXBDSA-N 2 1 303.403 -1.502 20 0 DAADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCNS(C)(=O)=O ZINC001281769969 780691135 /nfs/dbraw/zinc/69/11/35/780691135.db2.gz BMIJLOHWAPJGRN-NWDGAFQWSA-N 2 1 320.459 -1.028 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001282959645 780726764 /nfs/dbraw/zinc/72/67/64/780726764.db2.gz NZUODVZAWOGYET-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001282959645 780726769 /nfs/dbraw/zinc/72/67/69/780726769.db2.gz NZUODVZAWOGYET-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001282959645 780726775 /nfs/dbraw/zinc/72/67/75/780726775.db2.gz NZUODVZAWOGYET-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001282959645 780726780 /nfs/dbraw/zinc/72/67/80/780726780.db2.gz NZUODVZAWOGYET-JHJVBQTASA-N 2 1 312.414 -1.110 20 0 DAADMP CC[C@H](C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001282954910 780726792 /nfs/dbraw/zinc/72/67/92/780726792.db2.gz GBJUUKRWQHXVOJ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[C@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001282954910 780726798 /nfs/dbraw/zinc/72/67/98/780726798.db2.gz GBJUUKRWQHXVOJ-NEPJUHHUSA-N 2 1 300.403 -1.110 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001283048221 780735836 /nfs/dbraw/zinc/73/58/36/780735836.db2.gz RQMPJDLLMNGVRZ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CC[NH+](C)C)C1 ZINC001283048221 780735840 /nfs/dbraw/zinc/73/58/40/780735840.db2.gz RQMPJDLLMNGVRZ-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091150829 781379023 /nfs/dbraw/zinc/37/90/23/781379023.db2.gz AWXTVWIYMPQGFQ-PCPABOIYSA-N 2 1 322.409 -1.181 20 0 DAADMP CN1CCN(C2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C2)CC1=O ZINC001160637691 781379437 /nfs/dbraw/zinc/37/94/37/781379437.db2.gz VWEVOVRFSRKRMG-UHFFFAOYSA-N 2 1 309.414 -1.687 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147893356 781458776 /nfs/dbraw/zinc/45/87/76/781458776.db2.gz OQLRTCSYWWCJGQ-NSHDSACASA-N 2 1 306.432 -1.417 20 0 DAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147891927 781459016 /nfs/dbraw/zinc/45/90/16/781459016.db2.gz DZQJWRNYXWECIZ-LLVKDONJSA-N 2 1 311.386 -1.414 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147899982 781460717 /nfs/dbraw/zinc/46/07/17/781460717.db2.gz FTMFXFRYTCRGAL-MNOVXSKESA-N 2 1 313.402 -1.122 20 0 DAADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148210344 781466906 /nfs/dbraw/zinc/46/69/06/781466906.db2.gz LKEUQLJJRQXEAG-UHFFFAOYSA-N 2 1 311.386 -1.333 20 0 DAADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148210344 781466913 /nfs/dbraw/zinc/46/69/13/781466913.db2.gz LKEUQLJJRQXEAG-UHFFFAOYSA-N 2 1 311.386 -1.333 20 0 DAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148577862 781475547 /nfs/dbraw/zinc/47/55/47/781475547.db2.gz GZFJYJGGLNTSQY-UHFFFAOYSA-N 2 1 313.402 -1.024 20 0 DAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148605763 781476504 /nfs/dbraw/zinc/47/65/04/781476504.db2.gz UQWQWQDCCHOWKJ-CYBMUJFWSA-N 2 1 324.425 -1.013 20 0 DAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001148639078 781476788 /nfs/dbraw/zinc/47/67/88/781476788.db2.gz ZSHNGRGUTCGCED-UHFFFAOYSA-N 2 1 308.448 -1.075 20 0 DAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176063273 781613853 /nfs/dbraw/zinc/61/38/53/781613853.db2.gz APDBBKSOTXNDJS-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071046 781614038 /nfs/dbraw/zinc/61/40/38/781614038.db2.gz BIIMRARBGYULEB-NSHDSACASA-N 2 1 313.402 -1.120 20 0 DAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001176055958 781614117 /nfs/dbraw/zinc/61/41/17/781614117.db2.gz CIMVFEXKTJSNRR-NSHDSACASA-N 2 1 311.386 -1.414 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001176628440 781620618 /nfs/dbraw/zinc/62/06/18/781620618.db2.gz SNLYPMABXQCJLS-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001176628440 781620621 /nfs/dbraw/zinc/62/06/21/781620621.db2.gz SNLYPMABXQCJLS-GFCCVEGCSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001176628441 781620642 /nfs/dbraw/zinc/62/06/42/781620642.db2.gz SNLYPMABXQCJLS-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C)C1 ZINC001176628441 781620647 /nfs/dbraw/zinc/62/06/47/781620647.db2.gz SNLYPMABXQCJLS-LBPRGKRZSA-N 2 1 300.403 -1.109 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176636662 781621789 /nfs/dbraw/zinc/62/17/89/781621789.db2.gz SGLDUXFTHMFEPL-SNVBAGLBSA-N 2 1 315.374 -2.002 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176636662 781621794 /nfs/dbraw/zinc/62/17/94/781621794.db2.gz SGLDUXFTHMFEPL-SNVBAGLBSA-N 2 1 315.374 -2.002 20 0 DAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)C1 ZINC001176643909 781622583 /nfs/dbraw/zinc/62/25/83/781622583.db2.gz JIJOOLMERDOIJJ-CHWSQXEVSA-N 2 1 303.403 -1.190 20 0 DAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC)C1 ZINC001176643909 781622588 /nfs/dbraw/zinc/62/25/88/781622588.db2.gz JIJOOLMERDOIJJ-CHWSQXEVSA-N 2 1 303.403 -1.190 20 0 DAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176975731 781628779 /nfs/dbraw/zinc/62/87/79/781628779.db2.gz WBUWNZYLPKMERE-UHFFFAOYSA-N 2 1 313.402 -1.026 20 0 DAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151044065 781687869 /nfs/dbraw/zinc/68/78/69/781687869.db2.gz NEZYGOIHQZFOBO-GHMZBOCLSA-N 2 1 313.402 -1.122 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049514 781689358 /nfs/dbraw/zinc/68/93/58/781689358.db2.gz RALJYJNFBBZJJX-LBPRGKRZSA-N 2 1 300.403 -1.203 20 0 DAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049513 781689758 /nfs/dbraw/zinc/68/97/58/781689758.db2.gz RALJYJNFBBZJJX-GFCCVEGCSA-N 2 1 300.403 -1.203 20 0 DAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652097 781690927 /nfs/dbraw/zinc/69/09/27/781690927.db2.gz ISYSTOZHXCAYHM-GHMZBOCLSA-N 2 1 311.386 -1.273 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822500 781694690 /nfs/dbraw/zinc/69/46/90/781694690.db2.gz QXEUMEKOPDEBOI-AGIUHOORSA-N 2 1 301.387 -1.485 20 0 DAADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822500 781694692 /nfs/dbraw/zinc/69/46/92/781694692.db2.gz QXEUMEKOPDEBOI-AGIUHOORSA-N 2 1 301.387 -1.485 20 0 DAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)O1 ZINC001186055326 781772589 /nfs/dbraw/zinc/77/25/89/781772589.db2.gz PGFRITUNHNRWFS-FMCLSXCISA-N 2 1 301.387 -1.106 20 0 DAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)O1 ZINC001186055326 781772594 /nfs/dbraw/zinc/77/25/94/781772594.db2.gz PGFRITUNHNRWFS-FMCLSXCISA-N 2 1 301.387 -1.106 20 0 DAADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356070 781776458 /nfs/dbraw/zinc/77/64/58/781776458.db2.gz QADHPBKFZOOMAD-ZIAGYGMSSA-N 2 1 315.414 -1.094 20 0 DAADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187083347 781795869 /nfs/dbraw/zinc/79/58/69/781795869.db2.gz FJKARKLRTPEILX-WDEREUQCSA-N 2 1 311.386 -1.286 20 0 DAADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187291230 781796995 /nfs/dbraw/zinc/79/69/95/781796995.db2.gz NUFLBLKXNGVTIM-LLVKDONJSA-N 2 1 313.402 -1.026 20 0 DAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187842428 781808448 /nfs/dbraw/zinc/80/84/48/781808448.db2.gz MLGOPIMAPSGKAK-SNVBAGLBSA-N 2 1 308.342 -1.423 20 0 DAADMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189515753 781844209 /nfs/dbraw/zinc/84/42/09/781844209.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 2 1 312.414 -1.062 20 0 DAADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794553 781851496 /nfs/dbraw/zinc/85/14/96/781851496.db2.gz UKXXOKRAZQHFJC-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794553 781851501 /nfs/dbraw/zinc/85/15/01/781851501.db2.gz UKXXOKRAZQHFJC-QWHCGFSZSA-N 2 1 312.414 -1.157 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115126443 781913138 /nfs/dbraw/zinc/91/31/38/781913138.db2.gz NOGMBOKCFXYBOA-VIKVFOODSA-N 2 1 324.425 -1.110 20 0 DAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115126443 781913145 /nfs/dbraw/zinc/91/31/45/781913145.db2.gz NOGMBOKCFXYBOA-VIKVFOODSA-N 2 1 324.425 -1.110 20 0 DAADMP