smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000052392841 1072466542 /nfs/dbraw/zinc/46/65/42/1072466542.db2.gz VMUBXPDNHVBHML-NSHDSACASA-N 1 0 385.446 -0.254 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000052392844 1072466608 /nfs/dbraw/zinc/46/66/08/1072466608.db2.gz VMUBXPDNHVBHML-LLVKDONJSA-N 1 0 385.446 -0.254 20 5 GBBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000067450528 1073196864 /nfs/dbraw/zinc/19/68/64/1073196864.db2.gz IBFDIZVWZASRMA-UHFFFAOYSA-N 1 0 397.413 -0.940 20 5 GBBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000067450578 1073196905 /nfs/dbraw/zinc/19/69/05/1073196905.db2.gz XYXYUXWUZVRBIU-UHFFFAOYSA-N 1 0 397.413 -0.940 20 5 GBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000261604807 1072457339 /nfs/dbraw/zinc/45/73/39/1072457339.db2.gz ALSMBHRBRZQPOB-OCCSQVGLSA-N 1 0 398.441 -0.066 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261675627 1072460894 /nfs/dbraw/zinc/46/08/94/1072460894.db2.gz AIRGJPUPGIRESM-LLVKDONJSA-N 1 0 377.323 -0.291 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261675629 1072460743 /nfs/dbraw/zinc/46/07/43/1072460743.db2.gz AIRGJPUPGIRESM-NSHDSACASA-N 1 0 377.323 -0.291 20 5 GBBDRO [NH3+][C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261824837 1073957452 /nfs/dbraw/zinc/95/74/52/1073957452.db2.gz PPYWRGQQLMQKNS-AWEZNQCLSA-N 1 0 386.430 -0.257 20 5 GBBDRO [NH3+][C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261824838 1073957702 /nfs/dbraw/zinc/95/77/02/1073957702.db2.gz PPYWRGQQLMQKNS-CQSZACIVSA-N 1 0 386.430 -0.257 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261871218 1072474004 /nfs/dbraw/zinc/47/40/04/1072474004.db2.gz ODZNFUFSIMKQIR-DZGCQCFKSA-N 1 0 391.428 -0.137 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261871219 1072474172 /nfs/dbraw/zinc/47/41/72/1072474172.db2.gz ODZNFUFSIMKQIR-HIFRSBDPSA-N 1 0 391.428 -0.137 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261871220 1072474263 /nfs/dbraw/zinc/47/42/63/1072474263.db2.gz ODZNFUFSIMKQIR-UKRRQHHQSA-N 1 0 391.428 -0.137 20 5 GBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261871221 1072473951 /nfs/dbraw/zinc/47/39/51/1072473951.db2.gz ODZNFUFSIMKQIR-ZFWWWQNUSA-N 1 0 391.428 -0.137 20 5 GBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000261908960 1073959061 /nfs/dbraw/zinc/95/90/61/1073959061.db2.gz XIPFARLPRJQZIY-HIFRSBDPSA-N 1 0 398.441 -0.066 20 5 GBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000261908992 1072475050 /nfs/dbraw/zinc/47/50/50/1072475050.db2.gz XJDJWIMRDVRJFY-HIFRSBDPSA-N 1 0 398.441 -0.066 20 5 GBBDRO [NH3+]CC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000261950079 1072476909 /nfs/dbraw/zinc/47/69/09/1072476909.db2.gz ODOTVGBJRDQCDU-UHFFFAOYSA-N 1 0 386.430 -0.255 20 5 GBBDRO [NH3+][C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261984311 1072478397 /nfs/dbraw/zinc/47/83/97/1072478397.db2.gz MIQNMUVYLUXSON-AWEZNQCLSA-N 1 0 386.430 -0.257 20 5 GBBDRO [NH3+][C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261984313 1072479020 /nfs/dbraw/zinc/47/90/20/1072479020.db2.gz MIQNMUVYLUXSON-CQSZACIVSA-N 1 0 386.430 -0.257 20 5 GBBDRO [NH3+]CC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000261995429 1073960933 /nfs/dbraw/zinc/96/09/33/1073960933.db2.gz TYOHKCZHVKYHKM-UHFFFAOYSA-N 1 0 386.430 -0.255 20 5 GBBDRO [NH3+][C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000262011942 1072480400 /nfs/dbraw/zinc/48/04/00/1072480400.db2.gz OFGIFHXIVRJGPD-AWEZNQCLSA-N 1 0 386.430 -0.257 20 5 GBBDRO [NH3+][C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000262011947 1072480372 /nfs/dbraw/zinc/48/03/72/1072480372.db2.gz OFGIFHXIVRJGPD-CQSZACIVSA-N 1 0 386.430 -0.257 20 5 GBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)C[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262033781 1072481280 /nfs/dbraw/zinc/48/12/80/1072481280.db2.gz FIVSOVGOAKZCOA-LLVKDONJSA-N 1 0 386.430 -0.095 20 5 GBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)C[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262033783 1072481115 /nfs/dbraw/zinc/48/11/15/1072481115.db2.gz FIVSOVGOAKZCOA-NSHDSACASA-N 1 0 386.430 -0.095 20 5 GBBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262058255 1072482026 /nfs/dbraw/zinc/48/20/26/1072482026.db2.gz IFORSSWVPYOYBC-CYBMUJFWSA-N 1 0 398.441 -0.194 20 5 GBBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262058256 1072482288 /nfs/dbraw/zinc/48/22/88/1072482288.db2.gz IFORSSWVPYOYBC-ZDUSSCGKSA-N 1 0 398.441 -0.194 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262060130 1072482257 /nfs/dbraw/zinc/48/22/57/1072482257.db2.gz NWBYSPJODGYQMR-AWEZNQCLSA-N 1 0 389.412 -0.174 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262060133 1072482383 /nfs/dbraw/zinc/48/23/83/1072482383.db2.gz NWBYSPJODGYQMR-CQSZACIVSA-N 1 0 389.412 -0.174 20 5 GBBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262231142 1072528553 /nfs/dbraw/zinc/52/85/53/1072528553.db2.gz QKWVFSLQCZUXRN-CYBMUJFWSA-N 1 0 398.441 -0.194 20 5 GBBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262231144 1072529006 /nfs/dbraw/zinc/52/90/06/1072529006.db2.gz QKWVFSLQCZUXRN-ZDUSSCGKSA-N 1 0 398.441 -0.194 20 5 GBBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262269559 1072596448 /nfs/dbraw/zinc/59/64/48/1072596448.db2.gz VMDDCLGCLWMLNE-CYBMUJFWSA-N 1 0 398.441 -0.194 20 5 GBBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262269564 1072596357 /nfs/dbraw/zinc/59/63/57/1072596357.db2.gz VMDDCLGCLWMLNE-ZDUSSCGKSA-N 1 0 398.441 -0.194 20 5 GBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C3C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000262278044 1072597464 /nfs/dbraw/zinc/59/74/64/1072597464.db2.gz VDESKJAUJLUXBU-UHFFFAOYSA-N 1 0 384.414 -0.344 20 5 GBBDRO [NH3+]CC1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000262293288 1073965275 /nfs/dbraw/zinc/96/52/75/1073965275.db2.gz OWRXHEZMSYRNLS-UHFFFAOYSA-N 1 0 386.430 -0.255 20 5 GBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262327963 1073374790 /nfs/dbraw/zinc/37/47/90/1073374790.db2.gz GFYOLZUIRQTGQP-INIZCTEOSA-N 1 0 390.444 -0.100 20 5 GBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262327964 1073375013 /nfs/dbraw/zinc/37/50/13/1073375013.db2.gz GFYOLZUIRQTGQP-MRXNPFEDSA-N 1 0 390.444 -0.100 20 5 GBBDRO Cc1c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262447528 1073479742 /nfs/dbraw/zinc/47/97/42/1073479742.db2.gz VMBFQZPLAXSDEC-GFCCVEGCSA-N 1 0 397.457 -0.330 20 5 GBBDRO Cc1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262447529 1073481041 /nfs/dbraw/zinc/48/10/41/1073481041.db2.gz VMBFQZPLAXSDEC-LBPRGKRZSA-N 1 0 397.457 -0.330 20 5 GBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262491145 1072284323 /nfs/dbraw/zinc/28/43/23/1072284323.db2.gz VAKRGMWIEMXFTL-PHIMTYICSA-N 1 0 383.430 -0.278 20 5 GBBDRO [NH3+]CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000262692707 1072289897 /nfs/dbraw/zinc/28/98/97/1072289897.db2.gz ANUKXNQFYJCGNW-UHFFFAOYSA-N 1 0 399.473 -0.304 20 5 GBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000263952265 1072335727 /nfs/dbraw/zinc/33/57/27/1072335727.db2.gz LEPOYMMYYCUSHD-CQSZACIVSA-N 1 0 379.417 -0.185 20 5 GBBDRO C[NH+](C)CCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000264042987 1072339674 /nfs/dbraw/zinc/33/96/74/1072339674.db2.gz QPAUCNLOHMACFN-UHFFFAOYSA-N 1 0 389.412 -0.103 20 5 GBBDRO C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](C)CC1 ZINC000265116798 1073644253 /nfs/dbraw/zinc/64/42/53/1073644253.db2.gz MLDWWMNZYVGSNB-GFCCVEGCSA-N 1 0 389.412 -0.057 20 5 GBBDRO COC[C@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265464790 530209463 /nfs/dbraw/zinc/20/94/63/530209463.db2.gz OAAWBBNZDFHDOK-LLVKDONJSA-N 1 0 376.435 -0.146 20 5 GBBDRO COC[C@@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265464791 530209164 /nfs/dbraw/zinc/20/91/64/530209164.db2.gz OAAWBBNZDFHDOK-NSHDSACASA-N 1 0 376.435 -0.146 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC(CO)CO)c([N+](=O)[O-])c1 ZINC000266131328 530259971 /nfs/dbraw/zinc/25/99/71/530259971.db2.gz OPMDAVALAYNEJC-UHFFFAOYSA-N 1 0 376.435 -0.410 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000266235697 530263461 /nfs/dbraw/zinc/26/34/61/530263461.db2.gz VMRPVAOZNLSSQA-UHFFFAOYSA-N 1 0 394.475 -0.109 20 5 GBBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269787483 530345520 /nfs/dbraw/zinc/34/55/20/530345520.db2.gz XRCSDVJDZMVLIF-AWEZNQCLSA-N 1 0 375.403 -0.043 20 5 GBBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269787486 530345511 /nfs/dbraw/zinc/34/55/11/530345511.db2.gz XRCSDVJDZMVLIF-CQSZACIVSA-N 1 0 375.403 -0.043 20 5 GBBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000273595813 530112769 /nfs/dbraw/zinc/11/27/69/530112769.db2.gz QXJVAOFPDQUHSL-AWEZNQCLSA-N 1 0 375.403 -0.028 20 5 GBBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000273595816 530112573 /nfs/dbraw/zinc/11/25/73/530112573.db2.gz QXJVAOFPDQUHSL-CQSZACIVSA-N 1 0 375.403 -0.028 20 5 GBBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274379385 530130922 /nfs/dbraw/zinc/13/09/22/530130922.db2.gz IQIIPWTZFSQTEC-UHFFFAOYSA-N 1 0 375.403 -0.042 20 5 GBBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000274419726 530147713 /nfs/dbraw/zinc/14/77/13/530147713.db2.gz QAKZQZIGMHYRNK-UHFFFAOYSA-N 1 0 375.403 -0.026 20 5 GBBDRO CC[N@H+](CCO)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274558483 1072599525 /nfs/dbraw/zinc/59/95/25/1072599525.db2.gz ONJLHJKVZLVSSQ-UHFFFAOYSA-N 1 0 388.446 -0.354 20 5 GBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000274794577 1072186635 /nfs/dbraw/zinc/18/66/35/1072186635.db2.gz NSZQUBUUORWXDG-JTQLQIEISA-N 1 0 387.418 -0.770 20 5 GBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000274794581 1072186652 /nfs/dbraw/zinc/18/66/52/1072186652.db2.gz NSZQUBUUORWXDG-SNVBAGLBSA-N 1 0 387.418 -0.770 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC000275771094 530131925 /nfs/dbraw/zinc/13/19/25/530131925.db2.gz HDGFCGQSESHFQT-LLVKDONJSA-N 1 0 376.435 -0.410 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000275771099 530131402 /nfs/dbraw/zinc/13/14/02/530131402.db2.gz HDGFCGQSESHFQT-NSHDSACASA-N 1 0 376.435 -0.410 20 5 GBBDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000275832530 1072445871 /nfs/dbraw/zinc/44/58/71/1072445871.db2.gz CNURZIODHPHTQJ-UHFFFAOYSA-N 1 0 386.430 -0.108 20 5 GBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000276414263 1072619014 /nfs/dbraw/zinc/61/90/14/1072619014.db2.gz BQUMYVPFXLXVFG-UHFFFAOYSA-N 1 0 386.430 -0.093 20 5 GBBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276442036 530270382 /nfs/dbraw/zinc/27/03/82/530270382.db2.gz YDQRZRJHUPLOGW-UHFFFAOYSA-N 1 0 375.403 -0.026 20 5 GBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000276444371 530131489 /nfs/dbraw/zinc/13/14/89/530131489.db2.gz YOOYQCBIPXSPQT-AWEZNQCLSA-N 1 0 375.403 -0.028 20 5 GBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000276444373 530131575 /nfs/dbraw/zinc/13/15/75/530131575.db2.gz YOOYQCBIPXSPQT-CQSZACIVSA-N 1 0 375.403 -0.028 20 5 GBBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000276805683 1072227680 /nfs/dbraw/zinc/22/76/80/1072227680.db2.gz ZQFUHYZCMJSJND-UHFFFAOYSA-N 1 0 386.430 -0.093 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000277440248 1072306907 /nfs/dbraw/zinc/30/69/07/1072306907.db2.gz NDUULPMKBLUMLF-GASCZTMLSA-N 1 0 388.446 -0.633 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000277440252 1072307280 /nfs/dbraw/zinc/30/72/80/1072307280.db2.gz NDUULPMKBLUMLF-GJZGRUSLSA-N 1 0 388.446 -0.633 20 5 GBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000277440256 1072307119 /nfs/dbraw/zinc/30/71/19/1072307119.db2.gz NDUULPMKBLUMLF-HUUCEWRRSA-N 1 0 388.446 -0.633 20 5 GBBDRO C[NH+]1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000279074165 1073641032 /nfs/dbraw/zinc/64/10/32/1073641032.db2.gz DFFMCSSTTRJVQA-UHFFFAOYSA-N 1 0 375.385 -0.446 20 5 GBBDRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000280748796 1072161262 /nfs/dbraw/zinc/16/12/62/1072161262.db2.gz KGZJIUYAGAVGBI-CYBMUJFWSA-N 1 0 399.473 -0.375 20 5 GBBDRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000280748802 1072161361 /nfs/dbraw/zinc/16/13/61/1072161361.db2.gz KGZJIUYAGAVGBI-ZDUSSCGKSA-N 1 0 399.473 -0.375 20 5 GBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280837404 1073191810 /nfs/dbraw/zinc/19/18/10/1073191810.db2.gz UNCMWYHZEMASMF-CYBMUJFWSA-N 1 0 399.473 -0.375 20 5 GBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280837407 1073191968 /nfs/dbraw/zinc/19/19/68/1073191968.db2.gz UNCMWYHZEMASMF-ZDUSSCGKSA-N 1 0 399.473 -0.375 20 5 GBBDRO COCC[N@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280844691 1073295240 /nfs/dbraw/zinc/29/52/40/1073295240.db2.gz VIKSWIPXFGNDAB-UHFFFAOYSA-N 1 0 388.446 -0.042 20 5 GBBDRO COCCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280997187 1073406579 /nfs/dbraw/zinc/40/65/79/1073406579.db2.gz QXTNRZCJWRRACC-UHFFFAOYSA-N 1 0 388.446 -0.090 20 5 GBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281005466 1073407564 /nfs/dbraw/zinc/40/75/64/1073407564.db2.gz DTGAJUCGOWYBIX-UHFFFAOYSA-N 1 0 396.448 -0.261 20 5 GBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000281031969 1073408756 /nfs/dbraw/zinc/40/87/56/1073408756.db2.gz HZFOSWCTUZGGRF-UHFFFAOYSA-N 1 0 382.421 -0.651 20 5 GBBDRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000281051030 1073408680 /nfs/dbraw/zinc/40/86/80/1073408680.db2.gz QUJJTGBPNXQPNL-AWEZNQCLSA-N 1 0 388.446 -0.147 20 5 GBBDRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000281051031 1073408553 /nfs/dbraw/zinc/40/85/53/1073408553.db2.gz QUJJTGBPNXQPNL-CQSZACIVSA-N 1 0 388.446 -0.147 20 5 GBBDRO COCCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281052563 1073408715 /nfs/dbraw/zinc/40/87/15/1073408715.db2.gz XRDJFBGZFGKVKK-UHFFFAOYSA-N 1 0 388.446 -0.042 20 5 GBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000281093380 1073409677 /nfs/dbraw/zinc/40/96/77/1073409677.db2.gz PFYNBUFIZSBPFI-UHFFFAOYSA-N 1 0 395.416 -0.995 20 5 GBBDRO C[NH+]1CCN(CCCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281171175 1073412844 /nfs/dbraw/zinc/41/28/44/1073412844.db2.gz MUEMHKICGDYMTL-UHFFFAOYSA-N 1 0 399.473 -0.373 20 5 GBBDRO COc1ccc(C(=O)NCC(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000281233751 1073416776 /nfs/dbraw/zinc/41/67/76/1073416776.db2.gz VVJQIFUVTGPQCO-UHFFFAOYSA-N 1 0 379.417 -0.303 20 5 GBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000281641644 1073439793 /nfs/dbraw/zinc/43/97/93/1073439793.db2.gz HLFOGAVNOQVNAP-UHFFFAOYSA-N 1 0 381.389 -0.442 20 5 GBBDRO CCc1n[nH]c(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1[N+](=O)[O-] ZINC000281803019 1073451019 /nfs/dbraw/zinc/45/10/19/1073451019.db2.gz TVOLTNMMJBXCJM-UHFFFAOYSA-N 1 0 382.421 -0.257 20 5 GBBDRO COC[C@H](CO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290600368 530141447 /nfs/dbraw/zinc/14/14/47/530141447.db2.gz DUHMBBKHZGIGEO-NSHDSACASA-N 1 0 376.435 -0.146 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCOCCO)c([N+](=O)[O-])c1 ZINC000298203015 530104163 /nfs/dbraw/zinc/10/41/63/530104163.db2.gz LMMXVESVOJTPER-UHFFFAOYSA-N 1 0 376.435 -0.145 20 5 GBBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000365160313 1072818384 /nfs/dbraw/zinc/81/83/84/1072818384.db2.gz HZPSCFUAUPTMRD-GXFFZTMASA-N 1 0 386.430 -0.097 20 5 GBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000366519164 1072250333 /nfs/dbraw/zinc/25/03/33/1072250333.db2.gz MIHZSKGYRHZOGK-UWVGGRQHSA-N 1 0 389.409 -0.140 20 5 GBBDRO O=[N+]([O-])c1ccn(CCN2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC(O)C2)n1 ZINC000366933266 1072329536 /nfs/dbraw/zinc/32/95/36/1072329536.db2.gz SZMZHVWLYMIBBR-UHFFFAOYSA-N 1 0 394.392 -0.425 20 5 GBBDRO C[NH+](C)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000377440595 1073168993 /nfs/dbraw/zinc/16/89/93/1073168993.db2.gz FHBJXWSHCYUMRR-AAEUAGOBSA-N 1 0 386.430 -0.604 20 5 GBBDRO C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000377440596 1073168942 /nfs/dbraw/zinc/16/89/42/1073168942.db2.gz FHBJXWSHCYUMRR-YPMHNXCESA-N 1 0 386.430 -0.604 20 5 GBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378171796 1073245058 /nfs/dbraw/zinc/24/50/58/1073245058.db2.gz SVWNHXAULLWJGW-AWEZNQCLSA-N 1 0 381.437 -0.503 20 5 GBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378171797 1073244918 /nfs/dbraw/zinc/24/49/18/1073244918.db2.gz SVWNHXAULLWJGW-CQSZACIVSA-N 1 0 381.437 -0.503 20 5 GBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000411034820 1072803728 /nfs/dbraw/zinc/80/37/28/1072803728.db2.gz YBBKRUCHWARIMK-HIFRSBDPSA-N 1 0 388.428 -0.199 20 5 GBBDRO C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000413452479 530222053 /nfs/dbraw/zinc/22/20/53/530222053.db2.gz OFQDHRANYDXVGF-ZWNOBZJWSA-N 1 0 376.435 -0.412 20 5 GBBDRO C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000413459012 1072301656 /nfs/dbraw/zinc/30/16/56/1072301656.db2.gz XBPPWQZQKGICRX-BXUZGUMPSA-N 1 0 390.462 -0.022 20 5 GBBDRO NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000413802493 1072330612 /nfs/dbraw/zinc/33/06/12/1072330612.db2.gz UTWHDZZTTPGGIC-GFCCVEGCSA-N 1 0 386.430 -0.181 20 5 GBBDRO NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000413802495 1072330454 /nfs/dbraw/zinc/33/04/54/1072330454.db2.gz UTWHDZZTTPGGIC-LBPRGKRZSA-N 1 0 386.430 -0.181 20 5 GBBDRO COC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413915191 1072338885 /nfs/dbraw/zinc/33/88/85/1072338885.db2.gz HEDHQQUGPFNFFJ-CYBMUJFWSA-N 1 0 378.385 -0.112 20 5 GBBDRO COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413915196 1072339521 /nfs/dbraw/zinc/33/95/21/1072339521.db2.gz HEDHQQUGPFNFFJ-ZDUSSCGKSA-N 1 0 378.385 -0.112 20 5 GBBDRO C[NH+](C)CCN1C(=O)C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000414110710 1072933284 /nfs/dbraw/zinc/93/32/84/1072933284.db2.gz OMSATXGHIWMHPE-AWEZNQCLSA-N 1 0 376.417 -0.199 20 5 GBBDRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000414110711 1072933062 /nfs/dbraw/zinc/93/30/62/1072933062.db2.gz OMSATXGHIWMHPE-CQSZACIVSA-N 1 0 376.417 -0.199 20 5 GBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000415325243 1073185020 /nfs/dbraw/zinc/18/50/20/1073185020.db2.gz GRGHWVKILFMFIT-UHFFFAOYSA-N 1 0 377.401 -0.014 20 5 GBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000415335442 1073192414 /nfs/dbraw/zinc/19/24/14/1073192414.db2.gz PQTFOQWXBLGQHW-UHFFFAOYSA-N 1 0 393.400 -0.178 20 5 GBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415373946 1073196569 /nfs/dbraw/zinc/19/65/69/1073196569.db2.gz USJRJTWLGFHBEY-LLVKDONJSA-N 1 0 393.400 -0.145 20 5 GBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415373952 1073196076 /nfs/dbraw/zinc/19/60/76/1073196076.db2.gz USJRJTWLGFHBEY-NSHDSACASA-N 1 0 393.400 -0.145 20 5 GBBDRO COC(=O)c1cc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)c([N+](=O)[O-])c1 ZINC000415876205 1073229050 /nfs/dbraw/zinc/22/90/50/1073229050.db2.gz CEYXNJCSXLVCAP-UHFFFAOYSA-N 1 0 392.368 -0.171 20 5 GBBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415897853 1073231680 /nfs/dbraw/zinc/23/16/80/1073231680.db2.gz SNQJCFBUVICNOV-UHFFFAOYSA-N 1 0 392.368 -0.105 20 5 GBBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416440304 530357780 /nfs/dbraw/zinc/35/77/80/530357780.db2.gz CSJHCFKDSZMHOL-AWEZNQCLSA-N 1 0 375.403 -0.028 20 5 GBBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416440305 530358066 /nfs/dbraw/zinc/35/80/66/530358066.db2.gz CSJHCFKDSZMHOL-CQSZACIVSA-N 1 0 375.403 -0.028 20 5 GBBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416468222 530359131 /nfs/dbraw/zinc/35/91/31/530359131.db2.gz YAHOOMHCMPVGBU-UHFFFAOYSA-N 1 0 375.403 -0.026 20 5 GBBDRO COC(=O)c1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000416475968 1073272625 /nfs/dbraw/zinc/27/26/25/1073272625.db2.gz WDXHPBCXEWUZSV-UHFFFAOYSA-N 1 0 386.430 -0.093 20 5 GBBDRO CCn1cc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])n1 ZINC000416576484 530120128 /nfs/dbraw/zinc/12/01/28/530120128.db2.gz DCAWFRIXMBYERC-JTQLQIEISA-N 1 0 375.407 -0.464 20 5 GBBDRO CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])n1 ZINC000416576488 530120039 /nfs/dbraw/zinc/12/00/39/530120039.db2.gz DCAWFRIXMBYERC-SNVBAGLBSA-N 1 0 375.407 -0.464 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417265374 1073301921 /nfs/dbraw/zinc/30/19/21/1073301921.db2.gz BCQJSSAUCARNBC-TXEJJXNPSA-N 1 0 383.430 -0.266 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417279778 1073303322 /nfs/dbraw/zinc/30/33/22/1073303322.db2.gz JFYSDBUKYWWRKS-RISCZKNCSA-N 1 0 383.430 -0.124 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000417280734 1073303262 /nfs/dbraw/zinc/30/32/62/1073303262.db2.gz LPLAJKJISUFSPV-GFCCVEGCSA-N 1 0 387.418 -0.758 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000417280735 1073303351 /nfs/dbraw/zinc/30/33/51/1073303351.db2.gz LPLAJKJISUFSPV-LBPRGKRZSA-N 1 0 387.418 -0.758 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000417285239 1073302561 /nfs/dbraw/zinc/30/25/61/1073302561.db2.gz UCZQMJJADPSWJN-GFCCVEGCSA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000417285240 1073303109 /nfs/dbraw/zinc/30/31/09/1073303109.db2.gz UCZQMJJADPSWJN-LBPRGKRZSA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000417287438 1073303533 /nfs/dbraw/zinc/30/35/33/1073303533.db2.gz WQXQOQYAEYDHFC-UHFFFAOYSA-N 1 0 399.429 -0.743 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417301232 1073303340 /nfs/dbraw/zinc/30/33/40/1073303340.db2.gz AEUCKJRJAJHTSR-TXEJJXNPSA-N 1 0 383.430 -0.266 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417307003 1073303237 /nfs/dbraw/zinc/30/32/37/1073303237.db2.gz DGOGZDQYHXAWIN-RISCZKNCSA-N 1 0 383.430 -0.124 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000417322023 1073304117 /nfs/dbraw/zinc/30/41/17/1073304117.db2.gz MHJQRSRQDBJYEC-GFCCVEGCSA-N 1 0 387.418 -0.758 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000417322024 1073304032 /nfs/dbraw/zinc/30/40/32/1073304032.db2.gz MHJQRSRQDBJYEC-LBPRGKRZSA-N 1 0 387.418 -0.758 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCO1 ZINC000417323059 1073303888 /nfs/dbraw/zinc/30/38/88/1073303888.db2.gz NVIQJGURBWGMOS-GFCCVEGCSA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCO1 ZINC000417323065 1073304088 /nfs/dbraw/zinc/30/40/88/1073304088.db2.gz NVIQJGURBWGMOS-LBPRGKRZSA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000417323714 1073303982 /nfs/dbraw/zinc/30/39/82/1073303982.db2.gz OWRKKYQPYPMHPG-UHFFFAOYSA-N 1 0 399.429 -0.743 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417675791 1073314445 /nfs/dbraw/zinc/31/44/45/1073314445.db2.gz CVZZTNNFVFGDLB-YPMHNXCESA-N 1 0 383.430 -0.124 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417676851 1073314328 /nfs/dbraw/zinc/31/43/28/1073314328.db2.gz GAAXRRVWVAPYOU-TXEJJXNPSA-N 1 0 383.430 -0.266 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000417676953 1073314263 /nfs/dbraw/zinc/31/42/63/1073314263.db2.gz GPKLZKLPZKYYRW-LLVKDONJSA-N 1 0 387.418 -0.758 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000417676954 1073314047 /nfs/dbraw/zinc/31/40/47/1073314047.db2.gz GPKLZKLPZKYYRW-NSHDSACASA-N 1 0 387.418 -0.758 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000417680174 1073315184 /nfs/dbraw/zinc/31/51/84/1073315184.db2.gz MYIYKSCVNYXFMA-UHFFFAOYSA-N 1 0 399.429 -0.743 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000417684808 1073314413 /nfs/dbraw/zinc/31/44/13/1073314413.db2.gz XOAMNMBIGVJPKS-LLVKDONJSA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000417684809 1073314298 /nfs/dbraw/zinc/31/42/98/1073314298.db2.gz XOAMNMBIGVJPKS-NSHDSACASA-N 1 0 387.418 -0.839 20 5 GBBDRO O=C(NCCN1CC[NH2+]CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418293840 1073330768 /nfs/dbraw/zinc/33/07/68/1073330768.db2.gz FZPSEXWVXMVADU-UHFFFAOYSA-N 1 0 390.444 -0.033 20 5 GBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000418300406 1073331347 /nfs/dbraw/zinc/33/13/47/1073331347.db2.gz VYNJEBKTEXEKSB-UHFFFAOYSA-N 1 0 387.418 -0.422 20 5 GBBDRO O=C(NCCN1CC[NH2+]CC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418306756 1073331515 /nfs/dbraw/zinc/33/15/15/1073331515.db2.gz RPWZWYFLIRHESO-UHFFFAOYSA-N 1 0 390.444 -0.033 20 5 GBBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418343764 1073335745 /nfs/dbraw/zinc/33/57/45/1073335745.db2.gz AUSLIQBBSUVERC-GFCCVEGCSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418343765 1073335786 /nfs/dbraw/zinc/33/57/86/1073335786.db2.gz AUSLIQBBSUVERC-LBPRGKRZSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418386456 1073339231 /nfs/dbraw/zinc/33/92/31/1073339231.db2.gz QEENBZIJGXDVBM-GFCCVEGCSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418386457 1073339282 /nfs/dbraw/zinc/33/92/82/1073339282.db2.gz QEENBZIJGXDVBM-LBPRGKRZSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418387685 1073339255 /nfs/dbraw/zinc/33/92/55/1073339255.db2.gz RNRFMEPIRGHCEL-GFCCVEGCSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418387688 1073338920 /nfs/dbraw/zinc/33/89/20/1073338920.db2.gz RNRFMEPIRGHCEL-LBPRGKRZSA-N 1 0 383.430 -0.027 20 5 GBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418672681 1073706970 /nfs/dbraw/zinc/70/69/70/1073706970.db2.gz NSZWGIFGUADOLM-FICVDOATSA-N 1 0 395.441 -0.172 20 5 GBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418682046 1073706844 /nfs/dbraw/zinc/70/68/44/1073706844.db2.gz ZFVOJVZCYKMKFT-JYAVWHMHSA-N 1 0 395.441 -0.172 20 5 GBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418682421 1073707363 /nfs/dbraw/zinc/70/73/63/1073707363.db2.gz ZUWZISMTGIOTQD-FICVDOATSA-N 1 0 395.441 -0.172 20 5 GBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418757607 1073713778 /nfs/dbraw/zinc/71/37/78/1073713778.db2.gz HSSWHIUBSQFOSE-INIZCTEOSA-N 1 0 390.444 -0.034 20 5 GBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418757608 1073713664 /nfs/dbraw/zinc/71/36/64/1073713664.db2.gz HSSWHIUBSQFOSE-MRXNPFEDSA-N 1 0 390.444 -0.034 20 5 GBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418767257 1073714482 /nfs/dbraw/zinc/71/44/82/1073714482.db2.gz QLVBQAPBRFIFLW-AWEZNQCLSA-N 1 0 390.444 -0.034 20 5 GBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418767259 1073715001 /nfs/dbraw/zinc/71/50/01/1073715001.db2.gz QLVBQAPBRFIFLW-CQSZACIVSA-N 1 0 390.444 -0.034 20 5 GBBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CC[NH2+]CC1 ZINC000418805084 1073719715 /nfs/dbraw/zinc/71/97/15/1073719715.db2.gz HOIKYFLFRFMBOH-UHFFFAOYSA-N 1 0 383.836 -0.072 20 5 GBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418859482 1073729141 /nfs/dbraw/zinc/72/91/41/1073729141.db2.gz BJEPNBOSUURHIL-AWEZNQCLSA-N 1 0 391.428 -0.433 20 5 GBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418859483 1073729300 /nfs/dbraw/zinc/72/93/00/1073729300.db2.gz BJEPNBOSUURHIL-CQSZACIVSA-N 1 0 391.428 -0.433 20 5 GBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418924073 1073739397 /nfs/dbraw/zinc/73/93/97/1073739397.db2.gz OLPSONIOTBIRPB-AWEZNQCLSA-N 1 0 391.428 -0.433 20 5 GBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418924074 1073739055 /nfs/dbraw/zinc/73/90/55/1073739055.db2.gz OLPSONIOTBIRPB-CQSZACIVSA-N 1 0 391.428 -0.433 20 5 GBBDRO COc1cc(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000419021791 1073754252 /nfs/dbraw/zinc/75/42/52/1073754252.db2.gz KUYRSQBQQWJSOE-BETUJISGSA-N 1 0 392.412 -0.052 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000419452273 1072168244 /nfs/dbraw/zinc/16/82/44/1072168244.db2.gz GICNGJRIJQVVJE-UHFFFAOYSA-N 1 0 392.460 -0.157 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000419455285 1072166353 /nfs/dbraw/zinc/16/63/53/1072166353.db2.gz ONUDSGZFQRFNTI-CYBMUJFWSA-N 1 0 379.417 -0.074 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000419455286 1072166378 /nfs/dbraw/zinc/16/63/78/1072166378.db2.gz ONUDSGZFQRFNTI-ZDUSSCGKSA-N 1 0 379.417 -0.074 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000419456977 1072166426 /nfs/dbraw/zinc/16/64/26/1072166426.db2.gz UTJYSTHPEVQWAJ-GJZGRUSLSA-N 1 0 379.417 -0.387 20 5 GBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1cccc(F)c1 ZINC000419464234 1072171323 /nfs/dbraw/zinc/17/13/23/1072171323.db2.gz MSTPJCWKNBGXRP-LSDHHAIUSA-N 1 0 390.375 0.000 20 5 GBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000419471443 1072169273 /nfs/dbraw/zinc/16/92/73/1072169273.db2.gz ZVMJILJSHKSTAE-DZGCQCFKSA-N 1 0 390.375 0.000 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759016 1072198662 /nfs/dbraw/zinc/19/86/62/1072198662.db2.gz LPXWXGDBQUWACJ-AWEZNQCLSA-N 1 0 391.428 -0.167 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759018 1072198302 /nfs/dbraw/zinc/19/83/02/1072198302.db2.gz LPXWXGDBQUWACJ-CQSZACIVSA-N 1 0 391.428 -0.167 20 5 GBBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419843171 1072211776 /nfs/dbraw/zinc/21/17/76/1072211776.db2.gz MHNRBTSRWIJTEP-LLVKDONJSA-N 1 0 395.441 -0.191 20 5 GBBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419843177 1072211691 /nfs/dbraw/zinc/21/16/91/1072211691.db2.gz MHNRBTSRWIJTEP-NSHDSACASA-N 1 0 395.441 -0.191 20 5 GBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419847261 1072213560 /nfs/dbraw/zinc/21/35/60/1072213560.db2.gz QZYNFWJTBIIZCQ-UHFFFAOYSA-N 1 0 377.401 -0.395 20 5 GBBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419847682 1072207355 /nfs/dbraw/zinc/20/73/55/1072207355.db2.gz UHBRXSIARZQIOK-AWEZNQCLSA-N 1 0 389.412 -0.253 20 5 GBBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419847683 1072207098 /nfs/dbraw/zinc/20/70/98/1072207098.db2.gz UHBRXSIARZQIOK-CQSZACIVSA-N 1 0 389.412 -0.253 20 5 GBBDRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419851236 1072207766 /nfs/dbraw/zinc/20/77/66/1072207766.db2.gz IPYYFGUUURYDSG-UHFFFAOYSA-N 1 0 376.417 -0.103 20 5 GBBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419857085 1072214302 /nfs/dbraw/zinc/21/43/02/1072214302.db2.gz UIYMSNFQZDIPQL-UHFFFAOYSA-N 1 0 375.429 -0.109 20 5 GBBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000419860580 1072216253 /nfs/dbraw/zinc/21/62/53/1072216253.db2.gz LCGXGSSKBOQJTE-HNNXBMFYSA-N 1 0 389.412 -0.267 20 5 GBBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000419860583 1072216203 /nfs/dbraw/zinc/21/62/03/1072216203.db2.gz LCGXGSSKBOQJTE-OAHLLOKOSA-N 1 0 389.412 -0.267 20 5 GBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419863737 1072216924 /nfs/dbraw/zinc/21/69/24/1072216924.db2.gz IEYIYYJDBDIHDT-UHFFFAOYSA-N 1 0 377.401 -0.794 20 5 GBBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419874881 1072219756 /nfs/dbraw/zinc/21/97/56/1072219756.db2.gz UGNIMRBKUTUMQP-UHFFFAOYSA-N 1 0 391.428 -0.404 20 5 GBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419881123 1072221653 /nfs/dbraw/zinc/22/16/53/1072221653.db2.gz LDBSBGPQIFUIHX-CYBMUJFWSA-N 1 0 375.385 -0.643 20 5 GBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419881125 1072221503 /nfs/dbraw/zinc/22/15/03/1072221503.db2.gz LDBSBGPQIFUIHX-ZDUSSCGKSA-N 1 0 375.385 -0.643 20 5 GBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419882986 1072222521 /nfs/dbraw/zinc/22/25/21/1072222521.db2.gz CXCJQCILNHAIFA-UHFFFAOYSA-N 1 0 377.401 -0.395 20 5 GBBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419894963 1072224432 /nfs/dbraw/zinc/22/44/32/1072224432.db2.gz ODCJNGGEXRTDSB-AWEZNQCLSA-N 1 0 389.412 -0.253 20 5 GBBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419894964 1072224519 /nfs/dbraw/zinc/22/45/19/1072224519.db2.gz ODCJNGGEXRTDSB-CQSZACIVSA-N 1 0 389.412 -0.253 20 5 GBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419895285 1072224481 /nfs/dbraw/zinc/22/44/81/1072224481.db2.gz RXVBYINZVWFWPY-UHFFFAOYSA-N 1 0 383.430 -0.334 20 5 GBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419895929 1072225336 /nfs/dbraw/zinc/22/53/36/1072225336.db2.gz XJNBYEVZZJRZEL-UHFFFAOYSA-N 1 0 390.444 -0.735 20 5 GBBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419901206 1072225856 /nfs/dbraw/zinc/22/58/56/1072225856.db2.gz SUTQZIRJFMDZKW-LLVKDONJSA-N 1 0 395.441 -0.191 20 5 GBBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419901207 1072226025 /nfs/dbraw/zinc/22/60/25/1072226025.db2.gz SUTQZIRJFMDZKW-NSHDSACASA-N 1 0 395.441 -0.191 20 5 GBBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCC[NH2+]C)CC2)ccc1[N+](=O)[O-] ZINC000419906079 1072226894 /nfs/dbraw/zinc/22/68/94/1072226894.db2.gz ZSDLTVZQBGUOJS-UHFFFAOYSA-N 1 0 379.417 -0.022 20 5 GBBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000419916848 1072227529 /nfs/dbraw/zinc/22/75/29/1072227529.db2.gz AJCUTHQDHOOANW-UHFFFAOYSA-N 1 0 391.428 -0.022 20 5 GBBDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419923291 1072227735 /nfs/dbraw/zinc/22/77/35/1072227735.db2.gz GKOHVWDPDUWLMU-UHFFFAOYSA-N 1 0 391.428 -0.005 20 5 GBBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419935990 1072231681 /nfs/dbraw/zinc/23/16/81/1072231681.db2.gz KDXWMLITZVWIHI-CYBMUJFWSA-N 1 0 376.417 -0.103 20 5 GBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419944978 1072232320 /nfs/dbraw/zinc/23/23/20/1072232320.db2.gz BTMQMQXDIQBEFD-GFCCVEGCSA-N 1 0 377.401 -0.410 20 5 GBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419944981 1072232350 /nfs/dbraw/zinc/23/23/50/1072232350.db2.gz BTMQMQXDIQBEFD-LBPRGKRZSA-N 1 0 377.401 -0.410 20 5 GBBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419949209 1072230064 /nfs/dbraw/zinc/23/00/64/1072230064.db2.gz KVUPNEAMDZNIPX-LLVKDONJSA-N 1 0 397.457 -0.088 20 5 GBBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419949213 1072229881 /nfs/dbraw/zinc/22/98/81/1072229881.db2.gz KVUPNEAMDZNIPX-NSHDSACASA-N 1 0 397.457 -0.088 20 5 GBBDRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419956488 1072230643 /nfs/dbraw/zinc/23/06/43/1072230643.db2.gz UGJMRTGYTPEUQN-CYBMUJFWSA-N 1 0 376.417 -0.103 20 5 GBBDRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419956491 1072230650 /nfs/dbraw/zinc/23/06/50/1072230650.db2.gz UGJMRTGYTPEUQN-ZDUSSCGKSA-N 1 0 376.417 -0.103 20 5 GBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419956904 1072230691 /nfs/dbraw/zinc/23/06/91/1072230691.db2.gz OSVAIXPAXOLREX-JTQLQIEISA-N 1 0 383.430 -0.348 20 5 GBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419956905 1072230633 /nfs/dbraw/zinc/23/06/33/1072230633.db2.gz OSVAIXPAXOLREX-SNVBAGLBSA-N 1 0 383.430 -0.348 20 5 GBBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419963120 1072233675 /nfs/dbraw/zinc/23/36/75/1072233675.db2.gz YRWLMKMBHYPABN-CYBMUJFWSA-N 1 0 391.428 -0.149 20 5 GBBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419963121 1072233867 /nfs/dbraw/zinc/23/38/67/1072233867.db2.gz YRWLMKMBHYPABN-ZDUSSCGKSA-N 1 0 391.428 -0.149 20 5 GBBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419971622 1072235609 /nfs/dbraw/zinc/23/56/09/1072235609.db2.gz FGOYOXBXMGZARW-HNNXBMFYSA-N 1 0 391.428 -0.021 20 5 GBBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419971655 1072235444 /nfs/dbraw/zinc/23/54/44/1072235444.db2.gz FGOYOXBXMGZARW-OAHLLOKOSA-N 1 0 391.428 -0.021 20 5 GBBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000419984947 1072236125 /nfs/dbraw/zinc/23/61/25/1072236125.db2.gz VJZZAGNPFKNEEX-CYBMUJFWSA-N 1 0 386.430 -0.416 20 5 GBBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000419984949 1072236155 /nfs/dbraw/zinc/23/61/55/1072236155.db2.gz VJZZAGNPFKNEEX-ZDUSSCGKSA-N 1 0 386.430 -0.416 20 5 GBBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420004625 1072238292 /nfs/dbraw/zinc/23/82/92/1072238292.db2.gz ZIEHEYMOTZONME-GFCCVEGCSA-N 1 0 377.401 -0.267 20 5 GBBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420004627 1072238173 /nfs/dbraw/zinc/23/81/73/1072238173.db2.gz ZIEHEYMOTZONME-LBPRGKRZSA-N 1 0 377.401 -0.267 20 5 GBBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420005229 1072238260 /nfs/dbraw/zinc/23/82/60/1072238260.db2.gz WGFJVGSRMIEATP-GFCCVEGCSA-N 1 0 398.441 -0.257 20 5 GBBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420005230 1072238361 /nfs/dbraw/zinc/23/83/61/1072238361.db2.gz WGFJVGSRMIEATP-LBPRGKRZSA-N 1 0 398.441 -0.257 20 5 GBBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000420024544 1072240021 /nfs/dbraw/zinc/24/00/21/1072240021.db2.gz AOBGOJPOOQOQOL-HNNXBMFYSA-N 1 0 389.412 -0.267 20 5 GBBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000420024547 1072240135 /nfs/dbraw/zinc/24/01/35/1072240135.db2.gz AOBGOJPOOQOQOL-OAHLLOKOSA-N 1 0 389.412 -0.267 20 5 GBBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420042548 1072246512 /nfs/dbraw/zinc/24/65/12/1072246512.db2.gz NMERRRRNQYEHAI-BXUZGUMPSA-N 1 0 398.441 -0.272 20 5 GBBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420042550 1072246507 /nfs/dbraw/zinc/24/65/07/1072246507.db2.gz NMERRRRNQYEHAI-FZMZJTMJSA-N 1 0 398.441 -0.272 20 5 GBBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420042552 1072246137 /nfs/dbraw/zinc/24/61/37/1072246137.db2.gz NMERRRRNQYEHAI-RISCZKNCSA-N 1 0 398.441 -0.272 20 5 GBBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420042554 1072245836 /nfs/dbraw/zinc/24/58/36/1072245836.db2.gz NMERRRRNQYEHAI-SMDDNHRTSA-N 1 0 398.441 -0.272 20 5 GBBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000420060483 1072244771 /nfs/dbraw/zinc/24/47/71/1072244771.db2.gz QFCWAGQCKORQRA-UHFFFAOYSA-N 1 0 383.430 -0.206 20 5 GBBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000420061950 1072244728 /nfs/dbraw/zinc/24/47/28/1072244728.db2.gz MCEQNJOCNWCJNI-LLVKDONJSA-N 1 0 395.441 -0.206 20 5 GBBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000420061951 1072244646 /nfs/dbraw/zinc/24/46/46/1072244646.db2.gz MCEQNJOCNWCJNI-NSHDSACASA-N 1 0 395.441 -0.206 20 5 GBBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420062575 1072244173 /nfs/dbraw/zinc/24/41/73/1072244173.db2.gz SYFKPCIAZVPIFH-UHFFFAOYSA-N 1 0 377.401 -0.267 20 5 GBBDRO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000420097748 1072252871 /nfs/dbraw/zinc/25/28/71/1072252871.db2.gz WAGDVEJCMLXWBE-UHFFFAOYSA-N 1 0 395.441 -0.062 20 5 GBBDRO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000420098848 1072252559 /nfs/dbraw/zinc/25/25/59/1072252559.db2.gz XJWJPOXPIWYOOX-UHFFFAOYSA-N 1 0 389.412 -0.123 20 5 GBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420107485 1072253274 /nfs/dbraw/zinc/25/32/74/1072253274.db2.gz AWIVQMASZICHRP-BXUZGUMPSA-N 1 0 398.441 -0.401 20 5 GBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420107486 1072253476 /nfs/dbraw/zinc/25/34/76/1072253476.db2.gz AWIVQMASZICHRP-FZMZJTMJSA-N 1 0 398.441 -0.401 20 5 GBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420107487 1072253336 /nfs/dbraw/zinc/25/33/36/1072253336.db2.gz AWIVQMASZICHRP-RISCZKNCSA-N 1 0 398.441 -0.401 20 5 GBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420107488 1072253546 /nfs/dbraw/zinc/25/35/46/1072253546.db2.gz AWIVQMASZICHRP-SMDDNHRTSA-N 1 0 398.441 -0.401 20 5 GBBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420108833 1072253283 /nfs/dbraw/zinc/25/32/83/1072253283.db2.gz AHXBXWCITKOUEI-GFCCVEGCSA-N 1 0 377.401 -0.397 20 5 GBBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420108834 1072253331 /nfs/dbraw/zinc/25/33/31/1072253331.db2.gz AHXBXWCITKOUEI-LBPRGKRZSA-N 1 0 377.401 -0.397 20 5 GBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420145585 1072259597 /nfs/dbraw/zinc/25/95/97/1072259597.db2.gz PHLIXQWAEOQGJK-CHWSQXEVSA-N 1 0 376.417 -0.247 20 5 GBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420145586 1072259585 /nfs/dbraw/zinc/25/95/85/1072259585.db2.gz PHLIXQWAEOQGJK-OLZOCXBDSA-N 1 0 376.417 -0.247 20 5 GBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420145587 1072259603 /nfs/dbraw/zinc/25/96/03/1072259603.db2.gz PHLIXQWAEOQGJK-QWHCGFSZSA-N 1 0 376.417 -0.247 20 5 GBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420145588 1072259378 /nfs/dbraw/zinc/25/93/78/1072259378.db2.gz PHLIXQWAEOQGJK-STQMWFEESA-N 1 0 376.417 -0.247 20 5 GBBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000420147227 1072259441 /nfs/dbraw/zinc/25/94/41/1072259441.db2.gz RRKNKZKHEPQPBB-JTQLQIEISA-N 1 0 383.430 -0.335 20 5 GBBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000420147230 1072259549 /nfs/dbraw/zinc/25/95/49/1072259549.db2.gz RRKNKZKHEPQPBB-SNVBAGLBSA-N 1 0 383.430 -0.335 20 5 GBBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420173742 1072265976 /nfs/dbraw/zinc/26/59/76/1072265976.db2.gz VUTHYXNFXSNXDD-BXUZGUMPSA-N 1 0 398.441 -0.259 20 5 GBBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420173745 1072265974 /nfs/dbraw/zinc/26/59/74/1072265974.db2.gz VUTHYXNFXSNXDD-FZMZJTMJSA-N 1 0 398.441 -0.259 20 5 GBBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420173747 1072265884 /nfs/dbraw/zinc/26/58/84/1072265884.db2.gz VUTHYXNFXSNXDD-RISCZKNCSA-N 1 0 398.441 -0.259 20 5 GBBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420173749 1072266076 /nfs/dbraw/zinc/26/60/76/1072266076.db2.gz VUTHYXNFXSNXDD-SMDDNHRTSA-N 1 0 398.441 -0.259 20 5 GBBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420174408 1072265585 /nfs/dbraw/zinc/26/55/85/1072265585.db2.gz SZENQZFQEIVMTB-LLVKDONJSA-N 1 0 386.430 -0.401 20 5 GBBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420176776 1072261612 /nfs/dbraw/zinc/26/16/12/1072261612.db2.gz XPPWWPPOCLKARF-CYBMUJFWSA-N 1 0 391.428 -0.007 20 5 GBBDRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420182416 1072263257 /nfs/dbraw/zinc/26/32/57/1072263257.db2.gz JRYQZUSDXRQVJK-UHFFFAOYSA-N 1 0 379.417 -0.404 20 5 GBBDRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420182996 1072264251 /nfs/dbraw/zinc/26/42/51/1072264251.db2.gz KSMODRBAVWMILV-UHFFFAOYSA-N 1 0 379.417 -0.404 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420183490 1072263385 /nfs/dbraw/zinc/26/33/85/1072263385.db2.gz GYNLLCXHNCHKQZ-AWEZNQCLSA-N 1 0 378.385 -0.321 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420183491 1072262990 /nfs/dbraw/zinc/26/29/90/1072262990.db2.gz GYNLLCXHNCHKQZ-CQSZACIVSA-N 1 0 378.385 -0.321 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420188003 1072269575 /nfs/dbraw/zinc/26/95/75/1072269575.db2.gz MNAAIGNOSSCFMX-INIZCTEOSA-N 1 0 391.428 -0.262 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420188005 1072270268 /nfs/dbraw/zinc/27/02/68/1072270268.db2.gz MNAAIGNOSSCFMX-MRXNPFEDSA-N 1 0 391.428 -0.262 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420198156 1072267196 /nfs/dbraw/zinc/26/71/96/1072267196.db2.gz KSHRPESYKKZORP-HNNXBMFYSA-N 1 0 377.401 -0.652 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420198160 1072266704 /nfs/dbraw/zinc/26/67/04/1072266704.db2.gz KSHRPESYKKZORP-OAHLLOKOSA-N 1 0 377.401 -0.652 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420205728 1072269126 /nfs/dbraw/zinc/26/91/26/1072269126.db2.gz SBCHDKUOCTUSRQ-CYBMUJFWSA-N 1 0 377.401 -0.652 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420205730 1072268992 /nfs/dbraw/zinc/26/89/92/1072268992.db2.gz SBCHDKUOCTUSRQ-ZDUSSCGKSA-N 1 0 377.401 -0.652 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420216502 1072277897 /nfs/dbraw/zinc/27/78/97/1072277897.db2.gz LZUBRULDEXWJFT-AWEZNQCLSA-N 1 0 391.428 -0.262 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420216503 1072277442 /nfs/dbraw/zinc/27/74/42/1072277442.db2.gz LZUBRULDEXWJFT-CQSZACIVSA-N 1 0 391.428 -0.262 20 5 GBBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420263232 1072280474 /nfs/dbraw/zinc/28/04/74/1072280474.db2.gz BQQAXBWZNQITIS-CYBMUJFWSA-N 1 0 399.473 -0.069 20 5 GBBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420263234 1072280038 /nfs/dbraw/zinc/28/00/38/1072280038.db2.gz BQQAXBWZNQITIS-ZDUSSCGKSA-N 1 0 399.473 -0.069 20 5 GBBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000420279848 1072281450 /nfs/dbraw/zinc/28/14/50/1072281450.db2.gz TZYIFPCTCNBIEM-AWEZNQCLSA-N 1 0 399.473 -0.069 20 5 GBBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000420279849 1072281088 /nfs/dbraw/zinc/28/10/88/1072281088.db2.gz TZYIFPCTCNBIEM-CQSZACIVSA-N 1 0 399.473 -0.069 20 5 GBBDRO CNC(=O)NC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976402 1072305964 /nfs/dbraw/zinc/30/59/64/1072305964.db2.gz SVRDMKNFVGDMQA-UHFFFAOYSA-N 1 0 387.418 -0.349 20 5 GBBDRO C[N@H+](CCCC(=O)NC(N)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421017233 1072309320 /nfs/dbraw/zinc/30/93/20/1072309320.db2.gz LPCRIQRUECAGST-UHFFFAOYSA-N 1 0 387.418 -0.220 20 5 GBBDRO C[N@H+](CCCN1C(=O)CNC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033970 1072308693 /nfs/dbraw/zinc/30/86/93/1072308693.db2.gz XZFNVWYFCUQENA-UHFFFAOYSA-N 1 0 399.429 -0.253 20 5 GBBDRO C[N@H+](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000422266319 1072434190 /nfs/dbraw/zinc/43/41/90/1072434190.db2.gz WHHCNKOVIWORPG-UHFFFAOYSA-N 1 0 376.417 -0.151 20 5 GBBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275139 1072433888 /nfs/dbraw/zinc/43/38/88/1072433888.db2.gz ZYVHMSCNYIVXIU-CYBMUJFWSA-N 1 0 388.428 -0.009 20 5 GBBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275140 1072434245 /nfs/dbraw/zinc/43/42/45/1072434245.db2.gz ZYVHMSCNYIVXIU-ZDUSSCGKSA-N 1 0 388.428 -0.009 20 5 GBBDRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422283592 1072434918 /nfs/dbraw/zinc/43/49/18/1072434918.db2.gz GONYWNHZMRPIQT-UHFFFAOYSA-N 1 0 394.432 -0.667 20 5 GBBDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422381393 1072445445 /nfs/dbraw/zinc/44/54/45/1072445445.db2.gz SDBSDTMGHAKUSA-UHFFFAOYSA-N 1 0 394.432 -0.667 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933180 1072480153 /nfs/dbraw/zinc/48/01/53/1072480153.db2.gz HKDQZPQRQZSYOB-KBPBESRZSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933181 1072479780 /nfs/dbraw/zinc/47/97/80/1072479780.db2.gz HKDQZPQRQZSYOB-KGLIPLIRSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933182 1072480196 /nfs/dbraw/zinc/48/01/96/1072480196.db2.gz HKDQZPQRQZSYOB-UONOGXRCSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933183 1072479845 /nfs/dbraw/zinc/47/98/45/1072479845.db2.gz HKDQZPQRQZSYOB-ZIAGYGMSSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937494 1072480911 /nfs/dbraw/zinc/48/09/11/1072480911.db2.gz CNNJGXDNSMQQDW-KBPBESRZSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937495 1072481050 /nfs/dbraw/zinc/48/10/50/1072481050.db2.gz CNNJGXDNSMQQDW-KGLIPLIRSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937496 1072481023 /nfs/dbraw/zinc/48/10/23/1072481023.db2.gz CNNJGXDNSMQQDW-UONOGXRCSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937497 1072480894 /nfs/dbraw/zinc/48/08/94/1072480894.db2.gz CNNJGXDNSMQQDW-ZIAGYGMSSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422978139 1072483412 /nfs/dbraw/zinc/48/34/12/1072483412.db2.gz HCQBVPWBFHRAMD-BXUZGUMPSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422978140 1072483537 /nfs/dbraw/zinc/48/35/37/1072483537.db2.gz HCQBVPWBFHRAMD-FZMZJTMJSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422978141 1072483365 /nfs/dbraw/zinc/48/33/65/1072483365.db2.gz HCQBVPWBFHRAMD-RISCZKNCSA-N 1 0 386.430 -0.244 20 5 GBBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422978142 1072484217 /nfs/dbraw/zinc/48/42/17/1072484217.db2.gz HCQBVPWBFHRAMD-SMDDNHRTSA-N 1 0 386.430 -0.244 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000422986418 1072484598 /nfs/dbraw/zinc/48/45/98/1072484598.db2.gz CMAIZHGBMHPCLV-CYBMUJFWSA-N 1 0 377.401 -0.571 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000422986419 1072484192 /nfs/dbraw/zinc/48/41/92/1072484192.db2.gz CMAIZHGBMHPCLV-ZDUSSCGKSA-N 1 0 377.401 -0.571 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCO1 ZINC000422990273 1072482755 /nfs/dbraw/zinc/48/27/55/1072482755.db2.gz NBSQOAJMQZFDAR-AWEZNQCLSA-N 1 0 391.428 -0.180 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCO1 ZINC000422990274 1072482854 /nfs/dbraw/zinc/48/28/54/1072482854.db2.gz NBSQOAJMQZFDAR-CQSZACIVSA-N 1 0 391.428 -0.180 20 5 GBBDRO COC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000423081568 1072497051 /nfs/dbraw/zinc/49/70/51/1072497051.db2.gz DACHCUAPZPYJOG-HNNXBMFYSA-N 1 0 386.430 -0.385 20 5 GBBDRO COC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000423081569 1072497503 /nfs/dbraw/zinc/49/75/03/1072497503.db2.gz DACHCUAPZPYJOG-OAHLLOKOSA-N 1 0 386.430 -0.385 20 5 GBBDRO COC[C@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423095203 1072498623 /nfs/dbraw/zinc/49/86/23/1072498623.db2.gz LPTZPEZSTCMHDG-HNNXBMFYSA-N 1 0 386.430 -0.385 20 5 GBBDRO COC[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423095204 1072498344 /nfs/dbraw/zinc/49/83/44/1072498344.db2.gz LPTZPEZSTCMHDG-OAHLLOKOSA-N 1 0 386.430 -0.385 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000423146345 1072500411 /nfs/dbraw/zinc/50/04/11/1072500411.db2.gz AHQSKLIPZTZSPY-HNNXBMFYSA-N 1 0 377.401 -0.571 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000423146346 1072500330 /nfs/dbraw/zinc/50/03/30/1072500330.db2.gz AHQSKLIPZTZSPY-OAHLLOKOSA-N 1 0 377.401 -0.571 20 5 GBBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000423155305 1072500071 /nfs/dbraw/zinc/50/00/71/1072500071.db2.gz IVQPYHFKCLNXET-LLVKDONJSA-N 1 0 395.441 -0.110 20 5 GBBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000423155306 1072500485 /nfs/dbraw/zinc/50/04/85/1072500485.db2.gz IVQPYHFKCLNXET-NSHDSACASA-N 1 0 395.441 -0.110 20 5 GBBDRO O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CC[NH2+]CC1 ZINC000423155640 1072500001 /nfs/dbraw/zinc/50/00/01/1072500001.db2.gz JQCXSFHBXXMEML-UHFFFAOYSA-N 1 0 381.414 -0.628 20 5 GBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000423156960 1072500075 /nfs/dbraw/zinc/50/00/75/1072500075.db2.gz LURDRJOSDBEAHH-LLVKDONJSA-N 1 0 395.441 -0.239 20 5 GBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000423156961 1072500013 /nfs/dbraw/zinc/50/00/13/1072500013.db2.gz LURDRJOSDBEAHH-NSHDSACASA-N 1 0 395.441 -0.239 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCO1 ZINC000423159946 1072501281 /nfs/dbraw/zinc/50/12/81/1072501281.db2.gz YYNCYGOAGXZFPC-INIZCTEOSA-N 1 0 391.428 -0.180 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCO1 ZINC000423159947 1072500713 /nfs/dbraw/zinc/50/07/13/1072500713.db2.gz YYNCYGOAGXZFPC-MRXNPFEDSA-N 1 0 391.428 -0.180 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000423161498 1072500733 /nfs/dbraw/zinc/50/07/33/1072500733.db2.gz SBKXUTQGOKLDAN-LLVKDONJSA-N 1 0 395.441 -0.239 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]1 ZINC000423161499 1072501134 /nfs/dbraw/zinc/50/11/34/1072501134.db2.gz SBKXUTQGOKLDAN-NSHDSACASA-N 1 0 395.441 -0.239 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H]1[NH3+] ZINC000423161771 1072501994 /nfs/dbraw/zinc/50/19/94/1072501994.db2.gz SHKKVTBMGHAPHE-GHMZBOCLSA-N 1 0 395.441 -0.254 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H]1[NH3+] ZINC000423161777 1072502225 /nfs/dbraw/zinc/50/22/25/1072502225.db2.gz SHKKVTBMGHAPHE-MNOVXSKESA-N 1 0 395.441 -0.254 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H]1[NH3+] ZINC000423161783 1072502097 /nfs/dbraw/zinc/50/20/97/1072502097.db2.gz SHKKVTBMGHAPHE-QWRGUYRKSA-N 1 0 395.441 -0.254 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H]1[NH3+] ZINC000423161786 1072502119 /nfs/dbraw/zinc/50/21/19/1072502119.db2.gz SHKKVTBMGHAPHE-WDEREUQCSA-N 1 0 395.441 -0.254 20 5 GBBDRO COC[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000423206738 1072502980 /nfs/dbraw/zinc/50/29/80/1072502980.db2.gz CUDYGIAABXKYGR-HNNXBMFYSA-N 1 0 386.430 -0.385 20 5 GBBDRO COC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000423206739 1072503373 /nfs/dbraw/zinc/50/33/73/1072503373.db2.gz CUDYGIAABXKYGR-OAHLLOKOSA-N 1 0 386.430 -0.385 20 5 GBBDRO O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423302041 1072516336 /nfs/dbraw/zinc/51/63/36/1072516336.db2.gz GRVDTIAJVHMIES-KRWDZBQOSA-N 1 0 387.440 -0.014 20 5 GBBDRO O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423302042 1072516594 /nfs/dbraw/zinc/51/65/94/1072516594.db2.gz GRVDTIAJVHMIES-QGZVFWFLSA-N 1 0 387.440 -0.014 20 5 GBBDRO O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423302404 1072516474 /nfs/dbraw/zinc/51/64/74/1072516474.db2.gz HKAJTBBLTLUHCD-KRWDZBQOSA-N 1 0 387.440 -0.014 20 5 GBBDRO O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423302405 1072516067 /nfs/dbraw/zinc/51/60/67/1072516067.db2.gz HKAJTBBLTLUHCD-QGZVFWFLSA-N 1 0 387.440 -0.014 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000423366251 1072518974 /nfs/dbraw/zinc/51/89/74/1072518974.db2.gz CJPVSAKGUDNTSJ-DOMZBBRYSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC000423366266 1072518772 /nfs/dbraw/zinc/51/87/72/1072518772.db2.gz CJPVSAKGUDNTSJ-IUODEOHRSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC000423366269 1072518834 /nfs/dbraw/zinc/51/88/34/1072518834.db2.gz CJPVSAKGUDNTSJ-SWLSCSKDSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000423366270 1072519233 /nfs/dbraw/zinc/51/92/33/1072519233.db2.gz CJPVSAKGUDNTSJ-WFASDCNBSA-N 1 0 389.412 -0.315 20 5 GBBDRO O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000423373308 1072516961 /nfs/dbraw/zinc/51/69/61/1072516961.db2.gz JDYXEUVGLIMJNE-UHFFFAOYSA-N 1 0 375.385 -0.689 20 5 GBBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423379247 1072520395 /nfs/dbraw/zinc/52/03/95/1072520395.db2.gz MUGBOOPRRPDPMX-AWEZNQCLSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423379248 1072519678 /nfs/dbraw/zinc/51/96/78/1072519678.db2.gz MUGBOOPRRPDPMX-CQSZACIVSA-N 1 0 389.412 -0.171 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000423395317 1072521038 /nfs/dbraw/zinc/52/10/38/1072521038.db2.gz SOQNRSXBPWQLOF-CYBMUJFWSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000423395325 1072521433 /nfs/dbraw/zinc/52/14/33/1072521433.db2.gz SOQNRSXBPWQLOF-ZDUSSCGKSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423397646 1072521100 /nfs/dbraw/zinc/52/11/00/1072521100.db2.gz URNZZQXHJXSBGI-UHFFFAOYSA-N 1 0 391.428 -0.053 20 5 GBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423402500 1072522312 /nfs/dbraw/zinc/52/23/12/1072522312.db2.gz XTZLEVMQQRQZAQ-AWEZNQCLSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423402501 1072522020 /nfs/dbraw/zinc/52/20/20/1072522020.db2.gz XTZLEVMQQRQZAQ-CQSZACIVSA-N 1 0 389.412 -0.301 20 5 GBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423403535 1072522571 /nfs/dbraw/zinc/52/25/71/1072522571.db2.gz YIWUWPHVPNWNLM-CYBMUJFWSA-N 1 0 375.385 -0.561 20 5 GBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423403536 1072522558 /nfs/dbraw/zinc/52/25/58/1072522558.db2.gz YIWUWPHVPNWNLM-ZDUSSCGKSA-N 1 0 375.385 -0.561 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423577371 1072540283 /nfs/dbraw/zinc/54/02/83/1072540283.db2.gz HNJKDIQSCHZOOJ-AWEZNQCLSA-N 1 0 378.385 -0.239 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423577372 1072540058 /nfs/dbraw/zinc/54/00/58/1072540058.db2.gz HNJKDIQSCHZOOJ-CQSZACIVSA-N 1 0 378.385 -0.239 20 5 GBBDRO CC1(C)CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000423584320 1072541932 /nfs/dbraw/zinc/54/19/32/1072541932.db2.gz DELDYKCTFOMDBS-UHFFFAOYSA-N 1 0 376.417 -0.151 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423587083 1072543131 /nfs/dbraw/zinc/54/31/31/1072543131.db2.gz FFGYOJIFWIQSIS-GOSISDBHSA-N 1 0 388.428 -0.150 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423587094 1072542891 /nfs/dbraw/zinc/54/28/91/1072542891.db2.gz FFGYOJIFWIQSIS-SFHVURJKSA-N 1 0 388.428 -0.150 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423588292 1072543115 /nfs/dbraw/zinc/54/31/15/1072543115.db2.gz GNRFYDOCZWQZDB-KBPBESRZSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423588296 1072542985 /nfs/dbraw/zinc/54/29/85/1072542985.db2.gz GNRFYDOCZWQZDB-KGLIPLIRSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423588298 1072542667 /nfs/dbraw/zinc/54/26/67/1072542667.db2.gz GNRFYDOCZWQZDB-UONOGXRCSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423588300 1072542834 /nfs/dbraw/zinc/54/28/34/1072542834.db2.gz GNRFYDOCZWQZDB-ZIAGYGMSSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423591660 1072547328 /nfs/dbraw/zinc/54/73/28/1072547328.db2.gz KPCDBSNPWWBNGM-KBPBESRZSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423591663 1072547436 /nfs/dbraw/zinc/54/74/36/1072547436.db2.gz KPCDBSNPWWBNGM-KGLIPLIRSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423591666 1072547507 /nfs/dbraw/zinc/54/75/07/1072547507.db2.gz KPCDBSNPWWBNGM-UONOGXRCSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423591669 1072547757 /nfs/dbraw/zinc/54/77/57/1072547757.db2.gz KPCDBSNPWWBNGM-ZIAGYGMSSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423594623 1072547157 /nfs/dbraw/zinc/54/71/57/1072547157.db2.gz OIFSHNYTNVBSGD-KBPBESRZSA-N 1 0 388.428 -0.151 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423594624 1072547256 /nfs/dbraw/zinc/54/72/56/1072547256.db2.gz OIFSHNYTNVBSGD-KGLIPLIRSA-N 1 0 388.428 -0.151 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423594625 1072547489 /nfs/dbraw/zinc/54/74/89/1072547489.db2.gz OIFSHNYTNVBSGD-UONOGXRCSA-N 1 0 388.428 -0.151 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423594626 1072547801 /nfs/dbraw/zinc/54/78/01/1072547801.db2.gz OIFSHNYTNVBSGD-ZIAGYGMSSA-N 1 0 388.428 -0.151 20 5 GBBDRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423594790 1072547618 /nfs/dbraw/zinc/54/76/18/1072547618.db2.gz ORJRTTGFAYLJKV-OKILXGFUSA-N 1 0 388.428 -0.009 20 5 GBBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423597148 1072548555 /nfs/dbraw/zinc/54/85/55/1072548555.db2.gz SXQKLDXSHAZXIY-CYBMUJFWSA-N 1 0 376.417 -0.151 20 5 GBBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423597149 1072548198 /nfs/dbraw/zinc/54/81/98/1072548198.db2.gz SXQKLDXSHAZXIY-ZDUSSCGKSA-N 1 0 376.417 -0.151 20 5 GBBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423599097 1072548090 /nfs/dbraw/zinc/54/80/90/1072548090.db2.gz XDXOTHCHZZKRJP-CYBMUJFWSA-N 1 0 376.417 -0.151 20 5 GBBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423599098 1072548208 /nfs/dbraw/zinc/54/82/08/1072548208.db2.gz XDXOTHCHZZKRJP-ZDUSSCGKSA-N 1 0 376.417 -0.151 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)[NH2+]1 ZINC000423601830 1072549832 /nfs/dbraw/zinc/54/98/32/1072549832.db2.gz ZWIXFHYEPIZTLO-BETUJISGSA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)[NH2+]1 ZINC000423601835 1072549244 /nfs/dbraw/zinc/54/92/44/1072549244.db2.gz ZWIXFHYEPIZTLO-CHWSQXEVSA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)[NH2+]1 ZINC000423601839 1072549708 /nfs/dbraw/zinc/54/97/08/1072549708.db2.gz ZWIXFHYEPIZTLO-STQMWFEESA-N 1 0 376.417 -0.153 20 5 GBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423605148 1072544174 /nfs/dbraw/zinc/54/41/74/1072544174.db2.gz GTUDCCCJVVMMNV-CYBMUJFWSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423605158 1072543765 /nfs/dbraw/zinc/54/37/65/1072543765.db2.gz GTUDCCCJVVMMNV-ZDUSSCGKSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423608676 1072544003 /nfs/dbraw/zinc/54/40/03/1072544003.db2.gz OJBVERNONNDAFX-LLVKDONJSA-N 1 0 395.441 -0.239 20 5 GBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423608684 1072544159 /nfs/dbraw/zinc/54/41/59/1072544159.db2.gz OJBVERNONNDAFX-NSHDSACASA-N 1 0 395.441 -0.239 20 5 GBBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423609887 1072545450 /nfs/dbraw/zinc/54/54/50/1072545450.db2.gz LZZVEZRFMRHZBF-UHFFFAOYSA-N 1 0 395.441 -0.237 20 5 GBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423610283 1072545577 /nfs/dbraw/zinc/54/55/77/1072545577.db2.gz QUORUKBIWNOKEK-CYBMUJFWSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423610286 1072545159 /nfs/dbraw/zinc/54/51/59/1072545159.db2.gz QUORUKBIWNOKEK-ZDUSSCGKSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423613377 1072546796 /nfs/dbraw/zinc/54/67/96/1072546796.db2.gz VQLLAJKAVDZSDA-CYBMUJFWSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423613593 1072546139 /nfs/dbraw/zinc/54/61/39/1072546139.db2.gz VQLLAJKAVDZSDA-ZDUSSCGKSA-N 1 0 389.412 -0.301 20 5 GBBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423614559 1072546563 /nfs/dbraw/zinc/54/65/63/1072546563.db2.gz STDQEKIKHGNXQT-UHFFFAOYSA-N 1 0 389.412 -0.299 20 5 GBBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423615098 1072546757 /nfs/dbraw/zinc/54/67/57/1072546757.db2.gz UBAMUEGRFBEJJV-UHFFFAOYSA-N 1 0 389.412 -0.299 20 5 GBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423619884 1072547588 /nfs/dbraw/zinc/54/75/88/1072547588.db2.gz WBVOUZAYULJOBM-GFCCVEGCSA-N 1 0 375.385 -0.561 20 5 GBBDRO O=C(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1 ZINC000423627864 1072552518 /nfs/dbraw/zinc/55/25/18/1072552518.db2.gz VJQRXPTUNJZUTQ-UHFFFAOYSA-N 1 0 375.385 -0.689 20 5 GBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423640124 1072550433 /nfs/dbraw/zinc/55/04/33/1072550433.db2.gz WBVOUZAYULJOBM-LBPRGKRZSA-N 1 0 375.385 -0.561 20 5 GBBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423640263 1072550312 /nfs/dbraw/zinc/55/03/12/1072550312.db2.gz GNFXFKINQIFFIJ-HNNXBMFYSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423640270 1072550396 /nfs/dbraw/zinc/55/03/96/1072550396.db2.gz GNFXFKINQIFFIJ-OAHLLOKOSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423646071 1072551765 /nfs/dbraw/zinc/55/17/65/1072551765.db2.gz PFJKIUYJHLZXHY-CYBMUJFWSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000423646073 1072551252 /nfs/dbraw/zinc/55/12/52/1072551252.db2.gz PFJKIUYJHLZXHY-ZDUSSCGKSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423649187 1072552432 /nfs/dbraw/zinc/55/24/32/1072552432.db2.gz PFICJAIQSKNPJP-CYBMUJFWSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423649188 1072554059 /nfs/dbraw/zinc/55/40/59/1072554059.db2.gz PFICJAIQSKNPJP-ZDUSSCGKSA-N 1 0 389.412 -0.171 20 5 GBBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423649787 1072553648 /nfs/dbraw/zinc/55/36/48/1072553648.db2.gz PTBDXALSVQTHRK-LLVKDONJSA-N 1 0 395.441 -0.110 20 5 GBBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423649788 1072554100 /nfs/dbraw/zinc/55/41/00/1072554100.db2.gz PTBDXALSVQTHRK-NSHDSACASA-N 1 0 395.441 -0.110 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H](C)C[NH2+]1 ZINC000423650020 1072553991 /nfs/dbraw/zinc/55/39/91/1072553991.db2.gz KGPSZTHYRLWFJO-CHWSQXEVSA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000423650021 1072554253 /nfs/dbraw/zinc/55/42/53/1072554253.db2.gz KGPSZTHYRLWFJO-OLZOCXBDSA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423650022 1072553493 /nfs/dbraw/zinc/55/34/93/1072553493.db2.gz KGPSZTHYRLWFJO-QWHCGFSZSA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000423650023 1072554086 /nfs/dbraw/zinc/55/40/86/1072554086.db2.gz KGPSZTHYRLWFJO-STQMWFEESA-N 1 0 376.417 -0.153 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000423688340 1072564871 /nfs/dbraw/zinc/56/48/71/1072564871.db2.gz XIFJQWRVIZLIJS-CYBMUJFWSA-N 1 0 389.412 -0.301 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000423688341 1072565029 /nfs/dbraw/zinc/56/50/29/1072565029.db2.gz XIFJQWRVIZLIJS-ZDUSSCGKSA-N 1 0 389.412 -0.301 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423692252 1072559877 /nfs/dbraw/zinc/55/98/77/1072559877.db2.gz JFSMUGFDKHAGAO-KGLIPLIRSA-N 1 0 388.428 -0.009 20 5 GBBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423695320 1072561419 /nfs/dbraw/zinc/56/14/19/1072561419.db2.gz BRBWQJCINQNAER-JTQLQIEISA-N 1 0 383.430 -0.254 20 5 GBBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423695322 1072560963 /nfs/dbraw/zinc/56/09/63/1072560963.db2.gz BRBWQJCINQNAER-SNVBAGLBSA-N 1 0 383.430 -0.254 20 5 GBBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423705899 1072565425 /nfs/dbraw/zinc/56/54/25/1072565425.db2.gz PXCUQXPOHIVTPE-GFCCVEGCSA-N 1 0 377.401 -0.315 20 5 GBBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423705900 1072565771 /nfs/dbraw/zinc/56/57/71/1072565771.db2.gz PXCUQXPOHIVTPE-LBPRGKRZSA-N 1 0 377.401 -0.315 20 5 GBBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423716508 1072567898 /nfs/dbraw/zinc/56/78/98/1072567898.db2.gz XIGYMIJNGGNQTC-UHFFFAOYSA-N 1 0 391.428 -0.053 20 5 GBBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423718860 1072568771 /nfs/dbraw/zinc/56/87/71/1072568771.db2.gz LVIQCAHSGPTTJI-GFCCVEGCSA-N 1 0 377.401 -0.315 20 5 GBBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423718862 1072568556 /nfs/dbraw/zinc/56/85/56/1072568556.db2.gz LVIQCAHSGPTTJI-LBPRGKRZSA-N 1 0 377.401 -0.315 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]1[NH3+] ZINC000423754367 1072573096 /nfs/dbraw/zinc/57/30/96/1072573096.db2.gz ZMYRIFPEPRVJQX-GXTWGEPZSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1[NH3+] ZINC000423754370 1072573254 /nfs/dbraw/zinc/57/32/54/1072573254.db2.gz ZMYRIFPEPRVJQX-JSGCOSHPSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1[NH3+] ZINC000423754372 1072572930 /nfs/dbraw/zinc/57/29/30/1072572930.db2.gz ZMYRIFPEPRVJQX-OCCSQVGLSA-N 1 0 389.412 -0.315 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]1[NH3+] ZINC000423754374 1072573431 /nfs/dbraw/zinc/57/34/31/1072573431.db2.gz ZMYRIFPEPRVJQX-TZMCWYRMSA-N 1 0 389.412 -0.315 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423993787 1072578331 /nfs/dbraw/zinc/57/83/31/1072578331.db2.gz RFWKMZLMYYQRMR-DZGCQCFKSA-N 1 0 398.441 -0.148 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423993798 1072578379 /nfs/dbraw/zinc/57/83/79/1072578379.db2.gz RFWKMZLMYYQRMR-HIFRSBDPSA-N 1 0 398.441 -0.148 20 5 GBBDRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423993801 1072578773 /nfs/dbraw/zinc/57/87/73/1072578773.db2.gz RFWKMZLMYYQRMR-UKRRQHHQSA-N 1 0 398.441 -0.148 20 5 GBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423993804 1072578357 /nfs/dbraw/zinc/57/83/57/1072578357.db2.gz RFWKMZLMYYQRMR-ZFWWWQNUSA-N 1 0 398.441 -0.148 20 5 GBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000424068798 1072583557 /nfs/dbraw/zinc/58/35/57/1072583557.db2.gz TUXVQZVWFJZJKN-NEPJUHHUSA-N 1 0 384.414 -0.217 20 5 GBBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424511774 1072596475 /nfs/dbraw/zinc/59/64/75/1072596475.db2.gz ULWSULGCNRANSA-JKSUJKDBSA-N 1 0 386.412 -0.060 20 5 GBBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424513807 1072603238 /nfs/dbraw/zinc/60/32/38/1072603238.db2.gz YHWGUKOMXZDVOO-JKSUJKDBSA-N 1 0 386.412 -0.060 20 5 GBBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424547286 1072605883 /nfs/dbraw/zinc/60/58/83/1072605883.db2.gz KCVZCIBZRNNMIV-LSDHHAIUSA-N 1 0 386.412 -0.060 20 5 GBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)n1 ZINC000425314473 1072678600 /nfs/dbraw/zinc/67/86/00/1072678600.db2.gz JRJSOGICNQKCRY-GFCCVEGCSA-N 1 0 382.421 -0.280 20 5 GBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)n1 ZINC000425314913 1072679225 /nfs/dbraw/zinc/67/92/25/1072679225.db2.gz JRJSOGICNQKCRY-LBPRGKRZSA-N 1 0 382.421 -0.280 20 5 GBBDRO CNc1nc(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)ccc1[N+](=O)[O-] ZINC000425321847 1072682620 /nfs/dbraw/zinc/68/26/20/1072682620.db2.gz SOFRMPOZXKEAOE-GFCCVEGCSA-N 1 0 394.432 -0.060 20 5 GBBDRO CNc1nc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)ccc1[N+](=O)[O-] ZINC000425321848 1072682825 /nfs/dbraw/zinc/68/28/25/1072682825.db2.gz SOFRMPOZXKEAOE-LBPRGKRZSA-N 1 0 394.432 -0.060 20 5 GBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428177576 1073226932 /nfs/dbraw/zinc/22/69/32/1073226932.db2.gz SSXNRWHSFVXYGZ-GFCCVEGCSA-N 1 0 393.400 -0.317 20 5 GBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428177580 1073226847 /nfs/dbraw/zinc/22/68/47/1073226847.db2.gz SSXNRWHSFVXYGZ-LBPRGKRZSA-N 1 0 393.400 -0.317 20 5 GBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000428190771 1073226995 /nfs/dbraw/zinc/22/69/95/1073226995.db2.gz HHBIWEVWIHLFMZ-UHFFFAOYSA-N 1 0 395.441 -0.324 20 5 GBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428191296 1073226810 /nfs/dbraw/zinc/22/68/10/1073226810.db2.gz JSAIITYWHDTSLP-GFCCVEGCSA-N 1 0 377.401 -0.397 20 5 GBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428191300 1073226940 /nfs/dbraw/zinc/22/69/40/1073226940.db2.gz JSAIITYWHDTSLP-LBPRGKRZSA-N 1 0 377.401 -0.397 20 5 GBBDRO Cc1c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000428207032 1073226974 /nfs/dbraw/zinc/22/69/74/1073226974.db2.gz MKYKSELQZUDNKP-UHFFFAOYSA-N 1 0 399.429 -0.946 20 5 GBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428212597 1073228363 /nfs/dbraw/zinc/22/83/63/1073228363.db2.gz OHXTWAAOFGSDJU-UHFFFAOYSA-N 1 0 392.416 -0.716 20 5 GBBDRO COc1ccc(C(=O)NCC(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428527453 1073859270 /nfs/dbraw/zinc/85/92/70/1073859270.db2.gz XFGZQJIWNJRYRQ-GFCCVEGCSA-N 1 0 380.401 -0.142 20 5 GBBDRO COc1ccc(C(=O)NCC(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428527454 1073859432 /nfs/dbraw/zinc/85/94/32/1073859432.db2.gz XFGZQJIWNJRYRQ-LBPRGKRZSA-N 1 0 380.401 -0.142 20 5 GBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000428745209 1073908143 /nfs/dbraw/zinc/90/81/43/1073908143.db2.gz AIKVGMFZANJHPL-UHFFFAOYSA-N 1 0 378.433 -0.195 20 5 GBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)C[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000429676840 1073302603 /nfs/dbraw/zinc/30/26/03/1073302603.db2.gz LSSDERKEJQAAIU-LLVKDONJSA-N 1 0 386.430 -0.095 20 5 GBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)C[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000429676841 1073302532 /nfs/dbraw/zinc/30/25/32/1073302532.db2.gz LSSDERKEJQAAIU-NSHDSACASA-N 1 0 386.430 -0.095 20 5 GBBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)N1CC[NH2+]CC1 ZINC000430627819 1072619923 /nfs/dbraw/zinc/61/99/23/1072619923.db2.gz NTLAQQDBOGDBMP-UHFFFAOYSA-N 1 0 379.373 -0.374 20 5 GBBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000431549819 1072552550 /nfs/dbraw/zinc/55/25/50/1072552550.db2.gz YMBSNRLZMGEPLN-UHFFFAOYSA-N 1 0 381.437 -0.071 20 5 GBBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000432509895 1073653734 /nfs/dbraw/zinc/65/37/34/1073653734.db2.gz OTMFJXQSJHQLBK-WCQYABFASA-N 1 0 398.441 -0.630 20 5 GBBDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432524123 1073659831 /nfs/dbraw/zinc/65/98/31/1073659831.db2.gz PQAFRCRBINYHLP-GXTWGEPZSA-N 1 0 384.414 -0.850 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCc2nc(N)no2)c([N+](=O)[O-])c1 ZINC000433431340 1073911789 /nfs/dbraw/zinc/91/17/89/1073911789.db2.gz UCEAHRQFYSZTSH-UHFFFAOYSA-N 1 0 399.433 0.055 20 5 GBBDRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438833236 530283441 /nfs/dbraw/zinc/28/34/41/530283441.db2.gz HBJLCGRZYAWBNQ-AWEZNQCLSA-N 1 0 375.451 -0.054 20 5 GBBDRO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438833239 530283422 /nfs/dbraw/zinc/28/34/22/530283422.db2.gz HBJLCGRZYAWBNQ-CQSZACIVSA-N 1 0 375.451 -0.054 20 5 GBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cn1 ZINC000439478548 1072952445 /nfs/dbraw/zinc/95/24/45/1072952445.db2.gz YIMXAUOOOZECRI-UHFFFAOYSA-N 1 0 377.361 -0.178 20 5 GBBDRO COCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000440312384 530300159 /nfs/dbraw/zinc/30/01/59/530300159.db2.gz HBXYIAKZFSGGNQ-GXTWGEPZSA-N 1 0 376.435 -0.322 20 5 GBBDRO COCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000440312385 530300275 /nfs/dbraw/zinc/30/02/75/530300275.db2.gz HBXYIAKZFSGGNQ-JSGCOSHPSA-N 1 0 376.435 -0.322 20 5 GBBDRO COCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000440312386 530300303 /nfs/dbraw/zinc/30/03/03/530300303.db2.gz HBXYIAKZFSGGNQ-OCCSQVGLSA-N 1 0 376.435 -0.322 20 5 GBBDRO COCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000440312387 530300430 /nfs/dbraw/zinc/30/04/30/530300430.db2.gz HBXYIAKZFSGGNQ-TZMCWYRMSA-N 1 0 376.435 -0.322 20 5 GBBDRO CCN(C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC000440313567 530300358 /nfs/dbraw/zinc/30/03/58/530300358.db2.gz GAOZXJLFYWORRM-AWEZNQCLSA-N 1 0 375.451 -0.102 20 5 GBBDRO CCN(C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC000440313571 530300335 /nfs/dbraw/zinc/30/03/35/530300335.db2.gz GAOZXJLFYWORRM-CQSZACIVSA-N 1 0 375.451 -0.102 20 5 GBBDRO CCS(=O)(=O)N(C)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000440320365 530300244 /nfs/dbraw/zinc/30/02/44/530300244.db2.gz LDMWMCHSYKMFIW-AWEZNQCLSA-N 1 0 375.451 -0.102 20 5 GBBDRO CCS(=O)(=O)N(C)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000440320368 530300353 /nfs/dbraw/zinc/30/03/53/530300353.db2.gz LDMWMCHSYKMFIW-CQSZACIVSA-N 1 0 375.451 -0.102 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000440762974 1073573007 /nfs/dbraw/zinc/57/30/07/1073573007.db2.gz RUXGFWSMJSWCFW-UHFFFAOYSA-N 1 0 390.393 -0.205 20 5 GBBDRO CCOC(=O)CNC(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441121846 1073626497 /nfs/dbraw/zinc/62/64/97/1073626497.db2.gz KNOGXZJKIADTIL-AWEZNQCLSA-N 1 0 383.405 -0.457 20 5 GBBDRO CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441121851 1073626585 /nfs/dbraw/zinc/62/65/85/1073626585.db2.gz KNOGXZJKIADTIL-CQSZACIVSA-N 1 0 383.405 -0.457 20 5 GBBDRO O=C(CN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000441168472 1073630374 /nfs/dbraw/zinc/63/03/74/1073630374.db2.gz AQPZYRYIDBJOLZ-INIZCTEOSA-N 1 0 380.449 -0.218 20 5 GBBDRO O=C(CN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000441168474 1073630309 /nfs/dbraw/zinc/63/03/09/1073630309.db2.gz AQPZYRYIDBJOLZ-MRXNPFEDSA-N 1 0 380.449 -0.218 20 5 GBBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225561 530303348 /nfs/dbraw/zinc/30/33/48/530303348.db2.gz JKNSWULPRFKZLF-GXTWGEPZSA-N 1 0 375.451 -0.054 20 5 GBBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225563 530303087 /nfs/dbraw/zinc/30/30/87/530303087.db2.gz JKNSWULPRFKZLF-JSGCOSHPSA-N 1 0 375.451 -0.054 20 5 GBBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225565 530303241 /nfs/dbraw/zinc/30/32/41/530303241.db2.gz JKNSWULPRFKZLF-OCCSQVGLSA-N 1 0 375.451 -0.054 20 5 GBBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225566 530303011 /nfs/dbraw/zinc/30/30/11/530303011.db2.gz JKNSWULPRFKZLF-TZMCWYRMSA-N 1 0 375.451 -0.054 20 5 GBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000444157102 1073460236 /nfs/dbraw/zinc/46/02/36/1073460236.db2.gz PUGZHKNROWNISJ-GFCCVEGCSA-N 1 0 384.414 -0.202 20 5 GBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000445021845 1073557681 /nfs/dbraw/zinc/55/76/81/1073557681.db2.gz SASMYVIYQUVFSI-UHFFFAOYSA-N 1 0 377.361 -0.178 20 5 GBBDRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447250537 1073637621 /nfs/dbraw/zinc/63/76/21/1073637621.db2.gz NFTPPCYVALYGNR-LLVKDONJSA-N 1 0 388.450 -0.181 20 5 GBBDRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447250539 1073637810 /nfs/dbraw/zinc/63/78/10/1073637810.db2.gz NFTPPCYVALYGNR-NSHDSACASA-N 1 0 388.450 -0.181 20 5 GBBDRO CO[C@@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000447478108 1073647765 /nfs/dbraw/zinc/64/77/65/1073647765.db2.gz KUGWDPLCFCLGGR-CYBMUJFWSA-N 1 0 386.430 -0.209 20 5 GBBDRO CO[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000447478112 1073647508 /nfs/dbraw/zinc/64/75/08/1073647508.db2.gz KUGWDPLCFCLGGR-ZDUSSCGKSA-N 1 0 386.430 -0.209 20 5 GBBDRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000448487646 1073694526 /nfs/dbraw/zinc/69/45/26/1073694526.db2.gz JZFORVSOYVFVDM-UHFFFAOYSA-N 1 0 389.416 0.520 20 5 GBBDRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000448512081 1073695263 /nfs/dbraw/zinc/69/52/63/1073695263.db2.gz XKFUAUVIQWZVBP-UHFFFAOYSA-N 1 0 389.416 0.520 20 5 GBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449713584 1073725123 /nfs/dbraw/zinc/72/51/23/1073725123.db2.gz YMNNAQFGSBFFTI-CYBMUJFWSA-N 1 0 386.430 -0.242 20 5 GBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449713586 1073725234 /nfs/dbraw/zinc/72/52/34/1073725234.db2.gz YMNNAQFGSBFFTI-ZDUSSCGKSA-N 1 0 386.430 -0.242 20 5 GBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000449714286 1073725055 /nfs/dbraw/zinc/72/50/55/1073725055.db2.gz ZXFGZEFFUOCJQN-CYBMUJFWSA-N 1 0 386.430 -0.242 20 5 GBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449714287 1073725566 /nfs/dbraw/zinc/72/55/66/1073725566.db2.gz ZXFGZEFFUOCJQN-ZDUSSCGKSA-N 1 0 386.430 -0.242 20 5 GBBDRO CO[C@@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C[C@H]1O ZINC000450824708 1073757707 /nfs/dbraw/zinc/75/77/07/1073757707.db2.gz WTYXQFNWXYKELG-HUUCEWRRSA-N 1 0 388.446 -0.369 20 5 GBBDRO CC[NH+]1CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000469901705 1073521352 /nfs/dbraw/zinc/52/13/52/1073521352.db2.gz MWEHARUHXWQTOJ-UHFFFAOYSA-N 1 0 399.473 -0.373 20 5 GBBDRO CN(C)c1nccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000471193306 1072219789 /nfs/dbraw/zinc/21/97/89/1072219789.db2.gz FOTICCYAHSREMQ-AWEZNQCLSA-N 1 0 376.421 -0.170 20 5 GBBDRO CN(C)c1nccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000471193307 1072220032 /nfs/dbraw/zinc/22/00/32/1072220032.db2.gz FOTICCYAHSREMQ-CQSZACIVSA-N 1 0 376.421 -0.170 20 5 GBBDRO CN(C)C(=O)CC[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000471695236 1072170128 /nfs/dbraw/zinc/17/01/28/1072170128.db2.gz ARWUXZLDMVRPNA-UHFFFAOYSA-N 1 0 385.446 -0.158 20 5 GBBDRO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472547140 1072945639 /nfs/dbraw/zinc/94/56/39/1072945639.db2.gz ZEJNSGWTZSZXGA-UHFFFAOYSA-N 1 0 381.364 -0.001 20 5 GBBDRO Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000474973308 1073368094 /nfs/dbraw/zinc/36/80/94/1073368094.db2.gz BLCWTOYNTUTBRB-UHFFFAOYSA-N 1 0 386.430 -0.263 20 5 GBBDRO C[NH+]1CCC(O)(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000474987256 1073368649 /nfs/dbraw/zinc/36/86/49/1073368649.db2.gz COJXQKLMWARNLU-UHFFFAOYSA-N 1 0 378.385 -0.107 20 5 GBBDRO C[NH+]1CCC(O)(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000474987549 1073368598 /nfs/dbraw/zinc/36/85/98/1073368598.db2.gz RUBNPXUNPNRXGY-UHFFFAOYSA-N 1 0 379.417 -0.033 20 5 GBBDRO COC[C@@H](CO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000480842435 530139596 /nfs/dbraw/zinc/13/95/96/530139596.db2.gz DUHMBBKHZGIGEO-LLVKDONJSA-N 1 0 376.435 -0.146 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@](C)(O)CO)c([N+](=O)[O-])c1 ZINC000480857696 530140288 /nfs/dbraw/zinc/14/02/88/530140288.db2.gz OSQLDJJQXHZIMV-AWEZNQCLSA-N 1 0 376.435 -0.410 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@](C)(O)CO)c([N+](=O)[O-])c1 ZINC000480857697 530140578 /nfs/dbraw/zinc/14/05/78/530140578.db2.gz OSQLDJJQXHZIMV-CQSZACIVSA-N 1 0 376.435 -0.410 20 5 GBBDRO C[NH+](C)CCOCCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502844959 1072340680 /nfs/dbraw/zinc/34/06/80/1072340680.db2.gz NEFFMUDAFXKKDL-UHFFFAOYSA-N 1 0 378.389 -0.218 20 5 GBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502918917 1072343036 /nfs/dbraw/zinc/34/30/36/1072343036.db2.gz KLCLUHDUWOOHOJ-HNNXBMFYSA-N 1 0 388.446 -0.308 20 5 GBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502918918 1072342922 /nfs/dbraw/zinc/34/29/22/1072342922.db2.gz KLCLUHDUWOOHOJ-OAHLLOKOSA-N 1 0 388.446 -0.308 20 5 GBBDRO CC[NH+](CC)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000503493904 1072469054 /nfs/dbraw/zinc/46/90/54/1072469054.db2.gz LNDXZTSAQVEDCU-GFCCVEGCSA-N 1 0 388.450 -0.456 20 5 GBBDRO CC[NH+](CC)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000503493910 1072469000 /nfs/dbraw/zinc/46/90/00/1072469000.db2.gz LNDXZTSAQVEDCU-LBPRGKRZSA-N 1 0 388.450 -0.456 20 5 GBBDRO CCC(CC)(NC(=O)C1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000504665836 1072584338 /nfs/dbraw/zinc/58/43/38/1072584338.db2.gz MGVHBTYYJZERSS-CYBMUJFWSA-N 1 0 382.421 -0.756 20 5 GBBDRO CCC(CC)(NC(=O)C1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000504665837 1072584537 /nfs/dbraw/zinc/58/45/37/1072584537.db2.gz MGVHBTYYJZERSS-ZDUSSCGKSA-N 1 0 382.421 -0.756 20 5 GBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000504882314 1072591276 /nfs/dbraw/zinc/59/12/76/1072591276.db2.gz NKMDSOFYXFWPBN-HNNXBMFYSA-N 1 0 388.446 -0.308 20 5 GBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000504882319 1072590873 /nfs/dbraw/zinc/59/08/73/1072590873.db2.gz NKMDSOFYXFWPBN-OAHLLOKOSA-N 1 0 388.446 -0.308 20 5 GBBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000510149216 1072234652 /nfs/dbraw/zinc/23/46/52/1072234652.db2.gz RRBQTPBKMDHPOG-AWEZNQCLSA-N 1 0 389.416 -0.408 20 5 GBBDRO CN(C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090630 530078059 /nfs/dbraw/zinc/07/80/59/530078059.db2.gz NFPAMLMEMCAFOE-GXTWGEPZSA-N 1 0 375.451 -0.244 20 5 GBBDRO CN(C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090641 530078153 /nfs/dbraw/zinc/07/81/53/530078153.db2.gz NFPAMLMEMCAFOE-JSGCOSHPSA-N 1 0 375.451 -0.244 20 5 GBBDRO CN(C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090644 530077887 /nfs/dbraw/zinc/07/78/87/530077887.db2.gz NFPAMLMEMCAFOE-OCCSQVGLSA-N 1 0 375.451 -0.244 20 5 GBBDRO CN(C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090649 530077825 /nfs/dbraw/zinc/07/78/25/530077825.db2.gz NFPAMLMEMCAFOE-TZMCWYRMSA-N 1 0 375.451 -0.244 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515634390 1072733999 /nfs/dbraw/zinc/73/39/99/1072733999.db2.gz HNHJUMXTWZLJHY-KBPBESRZSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515634394 1072733463 /nfs/dbraw/zinc/73/34/63/1072733463.db2.gz HNHJUMXTWZLJHY-KGLIPLIRSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515634396 1072733942 /nfs/dbraw/zinc/73/39/42/1072733942.db2.gz HNHJUMXTWZLJHY-UONOGXRCSA-N 1 0 388.428 -0.294 20 5 GBBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515634398 1072734002 /nfs/dbraw/zinc/73/40/02/1072734002.db2.gz HNHJUMXTWZLJHY-ZIAGYGMSSA-N 1 0 388.428 -0.294 20 5 GBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000516665313 1072792150 /nfs/dbraw/zinc/79/21/50/1072792150.db2.gz ZHICRWYUONCSRY-AAEUAGOBSA-N 1 0 395.803 -0.365 20 5 GBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000516665314 1072791974 /nfs/dbraw/zinc/79/19/74/1072791974.db2.gz ZHICRWYUONCSRY-DGCLKSJQSA-N 1 0 395.803 -0.365 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000516665315 1072792040 /nfs/dbraw/zinc/79/20/40/1072792040.db2.gz ZHICRWYUONCSRY-WCQYABFASA-N 1 0 395.803 -0.365 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000516665316 1072792117 /nfs/dbraw/zinc/79/21/17/1072792117.db2.gz ZHICRWYUONCSRY-YPMHNXCESA-N 1 0 395.803 -0.365 20 5 GBBDRO O=C(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH2+]CC1 ZINC000516866545 1072813303 /nfs/dbraw/zinc/81/33/03/1072813303.db2.gz DOIFZWBHQPSAHY-UHFFFAOYSA-N 1 0 386.386 -0.924 20 5 GBBDRO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000517040494 1072827580 /nfs/dbraw/zinc/82/75/80/1072827580.db2.gz TZDMFUIEBXEDOR-SECBINFHSA-N 1 0 387.418 -0.962 20 5 GBBDRO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000517040495 1072827731 /nfs/dbraw/zinc/82/77/31/1072827731.db2.gz TZDMFUIEBXEDOR-VIFPVBQESA-N 1 0 387.418 -0.962 20 5 GBBDRO COC(=O)c1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000517154287 1072837992 /nfs/dbraw/zinc/83/79/92/1072837992.db2.gz NINCGEFIWZWOJY-UHFFFAOYSA-N 1 0 386.430 -0.045 20 5 GBBDRO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000517245925 1072852993 /nfs/dbraw/zinc/85/29/93/1072852993.db2.gz FZLSNPAQGYFVHU-NEPJUHHUSA-N 1 0 395.416 -0.025 20 5 GBBDRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000517245926 1072853168 /nfs/dbraw/zinc/85/31/68/1072853168.db2.gz FZLSNPAQGYFVHU-NWDGAFQWSA-N 1 0 395.416 -0.025 20 5 GBBDRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000517245927 1072853808 /nfs/dbraw/zinc/85/38/08/1072853808.db2.gz FZLSNPAQGYFVHU-RYUDHWBXSA-N 1 0 395.416 -0.025 20 5 GBBDRO C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000517245928 1072854402 /nfs/dbraw/zinc/85/44/02/1072854402.db2.gz FZLSNPAQGYFVHU-VXGBXAGGSA-N 1 0 395.416 -0.025 20 5 GBBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517359728 530130813 /nfs/dbraw/zinc/13/08/13/530130813.db2.gz NXULDOSHHBQFGL-CYBMUJFWSA-N 1 0 376.435 -0.244 20 5 GBBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517359729 530131096 /nfs/dbraw/zinc/13/10/96/530131096.db2.gz NXULDOSHHBQFGL-ZDUSSCGKSA-N 1 0 376.435 -0.244 20 5 GBBDRO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000517435862 1072864602 /nfs/dbraw/zinc/86/46/02/1072864602.db2.gz JGRIMXCXVIEMIY-LLVKDONJSA-N 1 0 375.389 -0.028 20 5 GBBDRO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000517435865 1072864546 /nfs/dbraw/zinc/86/45/46/1072864546.db2.gz JGRIMXCXVIEMIY-NSHDSACASA-N 1 0 375.389 -0.028 20 5 GBBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000517601683 1072873656 /nfs/dbraw/zinc/87/36/56/1072873656.db2.gz VLZVINCJCKOWIG-UHFFFAOYSA-N 1 0 392.464 -0.358 20 5 GBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000517641571 1072875903 /nfs/dbraw/zinc/87/59/03/1072875903.db2.gz UWUWUNUBEOKNFI-CYBMUJFWSA-N 1 0 377.401 -0.318 20 5 GBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000517641572 1072875642 /nfs/dbraw/zinc/87/56/42/1072875642.db2.gz UWUWUNUBEOKNFI-ZDUSSCGKSA-N 1 0 377.401 -0.318 20 5 GBBDRO O=C([C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000517741807 1072882707 /nfs/dbraw/zinc/88/27/07/1072882707.db2.gz YLRIEWFSZAZYQI-GFCCVEGCSA-N 1 0 383.430 -0.178 20 5 GBBDRO O=C([C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000517741808 1072882776 /nfs/dbraw/zinc/88/27/76/1072882776.db2.gz YLRIEWFSZAZYQI-LBPRGKRZSA-N 1 0 383.430 -0.178 20 5 GBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517759755 1072884413 /nfs/dbraw/zinc/88/44/13/1072884413.db2.gz VIYCBAQNHRUWHQ-NEPJUHHUSA-N 1 0 391.384 -0.298 20 5 GBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517759758 1072884977 /nfs/dbraw/zinc/88/49/77/1072884977.db2.gz VIYCBAQNHRUWHQ-NWDGAFQWSA-N 1 0 391.384 -0.298 20 5 GBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517759759 1072884692 /nfs/dbraw/zinc/88/46/92/1072884692.db2.gz VIYCBAQNHRUWHQ-RYUDHWBXSA-N 1 0 391.384 -0.298 20 5 GBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517759760 1072885031 /nfs/dbraw/zinc/88/50/31/1072885031.db2.gz VIYCBAQNHRUWHQ-VXGBXAGGSA-N 1 0 391.384 -0.298 20 5 GBBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000518140532 1072912736 /nfs/dbraw/zinc/91/27/36/1072912736.db2.gz WZNJBKJXWFNCGM-UHFFFAOYSA-N 1 0 384.462 -0.088 20 5 GBBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518172268 530212433 /nfs/dbraw/zinc/21/24/33/530212433.db2.gz PJSAFTIZDLDVFK-DGCLKSJQSA-N 1 0 376.439 -0.987 20 5 GBBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518172269 530212469 /nfs/dbraw/zinc/21/24/69/530212469.db2.gz PJSAFTIZDLDVFK-YPMHNXCESA-N 1 0 376.439 -0.987 20 5 GBBDRO COC(=O)COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000518217761 1072920306 /nfs/dbraw/zinc/92/03/06/1072920306.db2.gz WOMDWAHBEACSNA-CHWSQXEVSA-N 1 0 378.385 -0.110 20 5 GBBDRO COC(=O)COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000518217762 1072921252 /nfs/dbraw/zinc/92/12/52/1072921252.db2.gz WOMDWAHBEACSNA-OLZOCXBDSA-N 1 0 378.385 -0.110 20 5 GBBDRO COC(=O)COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000518217763 1072921094 /nfs/dbraw/zinc/92/10/94/1072921094.db2.gz WOMDWAHBEACSNA-QWHCGFSZSA-N 1 0 378.385 -0.110 20 5 GBBDRO COC(=O)COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000518217764 1072921176 /nfs/dbraw/zinc/92/11/76/1072921176.db2.gz WOMDWAHBEACSNA-STQMWFEESA-N 1 0 378.385 -0.110 20 5 GBBDRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518348245 1072927205 /nfs/dbraw/zinc/92/72/05/1072927205.db2.gz IBNJEHIZPNLLOS-UHFFFAOYSA-N 1 0 391.428 -0.005 20 5 GBBDRO CN(CC(=O)N1CCC(O)(C[NH3+])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518977366 1072970901 /nfs/dbraw/zinc/97/09/01/1072970901.db2.gz NTTNRLSUQPRVQM-UHFFFAOYSA-N 1 0 386.430 -0.473 20 5 GBBDRO Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000519000368 1072971619 /nfs/dbraw/zinc/97/16/19/1072971619.db2.gz CBSCKUYELRLNBS-CHWSQXEVSA-N 1 0 375.385 -0.597 20 5 GBBDRO Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000519000369 1072971590 /nfs/dbraw/zinc/97/15/90/1072971590.db2.gz CBSCKUYELRLNBS-OLZOCXBDSA-N 1 0 375.385 -0.597 20 5 GBBDRO Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000519000370 1072971964 /nfs/dbraw/zinc/97/19/64/1072971964.db2.gz CBSCKUYELRLNBS-QWHCGFSZSA-N 1 0 375.385 -0.597 20 5 GBBDRO Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000519000371 1072971817 /nfs/dbraw/zinc/97/18/17/1072971817.db2.gz CBSCKUYELRLNBS-STQMWFEESA-N 1 0 375.385 -0.597 20 5 GBBDRO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000519532500 1073014703 /nfs/dbraw/zinc/01/47/03/1073014703.db2.gz SXWFBGFMDBZYCN-GFCCVEGCSA-N 1 0 379.417 -0.103 20 5 GBBDRO C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000519532544 1073015153 /nfs/dbraw/zinc/01/51/53/1073015153.db2.gz SXWFBGFMDBZYCN-LBPRGKRZSA-N 1 0 379.417 -0.103 20 5 GBBDRO Cc1cc(C(=O)NCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000519594780 1073052376 /nfs/dbraw/zinc/05/23/76/1073052376.db2.gz AJAIVKQXGUNASL-UHFFFAOYSA-N 1 0 377.401 -0.477 20 5 GBBDRO CC1(C)CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000519595608 1073052334 /nfs/dbraw/zinc/05/23/34/1073052334.db2.gz LAGMYVYAYYCPLU-UHFFFAOYSA-N 1 0 376.417 -0.151 20 5 GBBDRO COc1cc(CCNC(=O)NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000519695497 1073085031 /nfs/dbraw/zinc/08/50/31/1073085031.db2.gz XXXFHIYUCYGCHM-UHFFFAOYSA-N 1 0 395.416 -0.115 20 5 GBBDRO Cc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000519836120 1073091215 /nfs/dbraw/zinc/09/12/15/1073091215.db2.gz ZZOONSBOGWBWTM-KBPBESRZSA-N 1 0 385.384 -0.132 20 5 GBBDRO Cc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000519836122 1073091648 /nfs/dbraw/zinc/09/16/48/1073091648.db2.gz ZZOONSBOGWBWTM-KGLIPLIRSA-N 1 0 385.384 -0.132 20 5 GBBDRO Cc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000519836125 1073091761 /nfs/dbraw/zinc/09/17/61/1073091761.db2.gz ZZOONSBOGWBWTM-UONOGXRCSA-N 1 0 385.384 -0.132 20 5 GBBDRO Cc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000519836128 1073091628 /nfs/dbraw/zinc/09/16/28/1073091628.db2.gz ZZOONSBOGWBWTM-ZIAGYGMSSA-N 1 0 385.384 -0.132 20 5 GBBDRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000520809937 1073230038 /nfs/dbraw/zinc/23/00/38/1073230038.db2.gz ADMUIVGRLGDWRY-CYBMUJFWSA-N 1 0 386.430 -0.161 20 5 GBBDRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000520809939 1073229659 /nfs/dbraw/zinc/22/96/59/1073229659.db2.gz ADMUIVGRLGDWRY-ZDUSSCGKSA-N 1 0 386.430 -0.161 20 5 GBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521158792 1073254636 /nfs/dbraw/zinc/25/46/36/1073254636.db2.gz GNKWXJKNJIIOLI-AWEZNQCLSA-N 1 0 399.473 -0.375 20 5 GBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521158793 1073254421 /nfs/dbraw/zinc/25/44/21/1073254421.db2.gz GNKWXJKNJIIOLI-CQSZACIVSA-N 1 0 399.473 -0.375 20 5 GBBDRO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521459419 1073270517 /nfs/dbraw/zinc/27/05/17/1073270517.db2.gz WIRRMJZYSPUSTR-KBPBESRZSA-N 1 0 386.430 -0.651 20 5 GBBDRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000522848283 1073459154 /nfs/dbraw/zinc/45/91/54/1073459154.db2.gz ZTTFXLZSQQPRHX-UHFFFAOYSA-N 1 0 399.473 -0.082 20 5 GBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000524652261 1073594247 /nfs/dbraw/zinc/59/42/47/1073594247.db2.gz JRZYZPOSUZCNJW-UHFFFAOYSA-N 1 0 391.388 -0.731 20 5 GBBDRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525189236 1073614653 /nfs/dbraw/zinc/61/46/53/1073614653.db2.gz PALQRHHUIHBMCY-UHFFFAOYSA-N 1 0 383.430 -0.082 20 5 GBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525247240 1073616755 /nfs/dbraw/zinc/61/67/55/1073616755.db2.gz WPLSSYOVYJLPEC-UHFFFAOYSA-N 1 0 378.393 -0.387 20 5 GBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000525616922 1073634312 /nfs/dbraw/zinc/63/43/12/1073634312.db2.gz MIFNSROITGNXQO-UHFFFAOYSA-N 1 0 378.393 -0.306 20 5 GBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000531941281 1073825040 /nfs/dbraw/zinc/82/50/40/1073825040.db2.gz BGUFWIVPPKQTRO-GFCCVEGCSA-N 1 0 383.430 -0.083 20 5 GBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000531941282 1073824625 /nfs/dbraw/zinc/82/46/25/1073824625.db2.gz BGUFWIVPPKQTRO-LBPRGKRZSA-N 1 0 383.430 -0.083 20 5 GBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531966382 1073825095 /nfs/dbraw/zinc/82/50/95/1073825095.db2.gz JKVNRPPCMGJZND-AWEZNQCLSA-N 1 0 397.457 -0.015 20 5 GBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531966383 1073824510 /nfs/dbraw/zinc/82/45/10/1073824510.db2.gz JKVNRPPCMGJZND-CQSZACIVSA-N 1 0 397.457 -0.015 20 5 GBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000541115094 1073148828 /nfs/dbraw/zinc/14/88/28/1073148828.db2.gz MTLQANOJDRGIDI-UHFFFAOYSA-N 1 0 397.457 -0.013 20 5 GBBDRO CN(CC(=O)NCCOCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000544342822 1073248210 /nfs/dbraw/zinc/24/82/10/1073248210.db2.gz XVVJYSYMMSHEGP-UHFFFAOYSA-N 1 0 388.446 -0.090 20 5 GBBDRO COC(=O)c1cn(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000544759650 1073305279 /nfs/dbraw/zinc/30/52/79/1073305279.db2.gz OHECPOGLCXJJOC-CYBMUJFWSA-N 1 0 379.377 -0.133 20 5 GBBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC(=O)N1CC[NH2+]CC1 ZINC000549526311 1073400197 /nfs/dbraw/zinc/40/01/97/1073400197.db2.gz CANLBIWESGLWNW-UHFFFAOYSA-N 1 0 391.384 -0.169 20 5 GBBDRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000550362453 1073125767 /nfs/dbraw/zinc/12/57/67/1073125767.db2.gz PFIBKXXYCOFVLD-UHFFFAOYSA-N 1 0 376.417 -0.151 20 5 GBBDRO CN(c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000550464397 1073278345 /nfs/dbraw/zinc/27/83/45/1073278345.db2.gz JUWPYBSVPHNXLO-CYBMUJFWSA-N 1 0 385.446 -0.241 20 5 GBBDRO CN(c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000550464398 1073278399 /nfs/dbraw/zinc/27/83/99/1073278399.db2.gz JUWPYBSVPHNXLO-ZDUSSCGKSA-N 1 0 385.446 -0.241 20 5 GBBDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000561639437 1072196513 /nfs/dbraw/zinc/19/65/13/1072196513.db2.gz IYDQEGHWSWDKOR-UHFFFAOYSA-N 1 0 382.421 -0.351 20 5 GBBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000562973467 1072229552 /nfs/dbraw/zinc/22/95/52/1072229552.db2.gz ILEZXGXULMPQPB-UHFFFAOYSA-N 1 0 396.400 -0.210 20 5 GBBDRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000564873853 530135069 /nfs/dbraw/zinc/13/50/69/530135069.db2.gz UCBWOOJMURKCKH-AWEZNQCLSA-N 1 0 375.451 -0.197 20 5 GBBDRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000564873855 530134752 /nfs/dbraw/zinc/13/47/52/530134752.db2.gz UCBWOOJMURKCKH-CQSZACIVSA-N 1 0 375.451 -0.197 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000566114280 530142115 /nfs/dbraw/zinc/14/21/15/530142115.db2.gz FCDZPWUATJHNLR-LLVKDONJSA-N 1 0 375.432 -0.218 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000566114281 530141975 /nfs/dbraw/zinc/14/19/75/530141975.db2.gz FCDZPWUATJHNLR-NSHDSACASA-N 1 0 375.432 -0.218 20 5 GBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000566562091 1073319633 /nfs/dbraw/zinc/31/96/33/1073319633.db2.gz DAFCSHNIACFWHT-UHFFFAOYSA-N 1 0 383.474 -0.194 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCN(c3ncccn3)CC2)c1 ZINC000566792222 1073350581 /nfs/dbraw/zinc/35/05/81/1073350581.db2.gz NXLMIERJJKCJRP-HNNXBMFYSA-N 1 0 376.421 -0.646 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CCN(c3ncccn3)CC2)c1 ZINC000566792223 1073350636 /nfs/dbraw/zinc/35/06/36/1073350636.db2.gz NXLMIERJJKCJRP-OAHLLOKOSA-N 1 0 376.421 -0.646 20 5 GBBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568382818 530190079 /nfs/dbraw/zinc/19/00/79/530190079.db2.gz NXQMURDZUINRPD-GFCCVEGCSA-N 1 0 376.435 -0.244 20 5 GBBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568382819 530190219 /nfs/dbraw/zinc/19/02/19/530190219.db2.gz NXQMURDZUINRPD-LBPRGKRZSA-N 1 0 376.435 -0.244 20 5 GBBDRO O=C(CCOC1C[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000568740465 1073585583 /nfs/dbraw/zinc/58/55/83/1073585583.db2.gz URRACRARNAKIFJ-UHFFFAOYSA-N 1 0 398.441 -0.194 20 5 GBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)C[NH2+]1 ZINC000568869456 1073593760 /nfs/dbraw/zinc/59/37/60/1073593760.db2.gz IEPHMOJJPRMODL-CHWSQXEVSA-N 1 0 376.417 -0.153 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569260356 1073605347 /nfs/dbraw/zinc/60/53/47/1073605347.db2.gz RJRMJYBASUZWDM-UONOGXRCSA-N 1 0 375.385 -0.976 20 5 GBBDRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569961583 1073619397 /nfs/dbraw/zinc/61/93/97/1073619397.db2.gz QNEHLDFETPHRFJ-GXTWGEPZSA-N 1 0 390.466 -0.597 20 5 GBBDRO CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000570928503 1073638293 /nfs/dbraw/zinc/63/82/93/1073638293.db2.gz JZYDHKRIDFKJKF-RYUDHWBXSA-N 1 0 386.430 -0.162 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000571445771 530197952 /nfs/dbraw/zinc/19/79/52/530197952.db2.gz NWRDQHNRKWSZFH-NEPJUHHUSA-N 1 0 390.443 -0.362 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000571445777 530210492 /nfs/dbraw/zinc/21/04/92/530210492.db2.gz NWRDQHNRKWSZFH-NWDGAFQWSA-N 1 0 390.443 -0.362 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000571445779 530197788 /nfs/dbraw/zinc/19/77/88/530197788.db2.gz NWRDQHNRKWSZFH-RYUDHWBXSA-N 1 0 390.443 -0.362 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000571445781 530197881 /nfs/dbraw/zinc/19/78/81/530197881.db2.gz NWRDQHNRKWSZFH-VXGBXAGGSA-N 1 0 390.443 -0.362 20 5 GBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH2+]CC1 ZINC000571514979 1073652914 /nfs/dbraw/zinc/65/29/14/1073652914.db2.gz HAQRWAIMMDIIJI-UHFFFAOYSA-N 1 0 377.401 -0.407 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000572029709 1073662884 /nfs/dbraw/zinc/66/28/84/1073662884.db2.gz ZCCZWTITJODFET-UONOGXRCSA-N 1 0 391.450 -0.770 20 5 GBBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572900578 1072419642 /nfs/dbraw/zinc/41/96/42/1072419642.db2.gz KAOPCDUJUSRCNB-NEPJUHHUSA-N 1 0 375.385 -0.079 20 5 GBBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572900581 1072419170 /nfs/dbraw/zinc/41/91/70/1072419170.db2.gz KAOPCDUJUSRCNB-VXGBXAGGSA-N 1 0 375.385 -0.079 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O ZINC000573579117 1073841514 /nfs/dbraw/zinc/84/15/14/1073841514.db2.gz OTELUNSSURGFDG-GXTWGEPZSA-N 1 0 389.412 -0.185 20 5 GBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O ZINC000573579118 1073841123 /nfs/dbraw/zinc/84/11/23/1073841123.db2.gz OTELUNSSURGFDG-JSGCOSHPSA-N 1 0 389.412 -0.185 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O ZINC000573579119 1073841063 /nfs/dbraw/zinc/84/10/63/1073841063.db2.gz OTELUNSSURGFDG-OCCSQVGLSA-N 1 0 389.412 -0.185 20 5 GBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O ZINC000573579120 1073841700 /nfs/dbraw/zinc/84/17/00/1073841700.db2.gz OTELUNSSURGFDG-TZMCWYRMSA-N 1 0 389.412 -0.185 20 5 GBBDRO Cc1c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000573644751 1073843769 /nfs/dbraw/zinc/84/37/69/1073843769.db2.gz CJSRHDQNAQVCQB-INIZCTEOSA-N 1 0 398.441 -0.263 20 5 GBBDRO Cc1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000573644752 1073843702 /nfs/dbraw/zinc/84/37/02/1073843702.db2.gz CJSRHDQNAQVCQB-MRXNPFEDSA-N 1 0 398.441 -0.263 20 5 GBBDRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000573698858 1073845122 /nfs/dbraw/zinc/84/51/22/1073845122.db2.gz FNTLWUZMHLOJDH-NXEZZACHSA-N 1 0 377.357 -0.494 20 5 GBBDRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000573698859 1073845394 /nfs/dbraw/zinc/84/53/94/1073845394.db2.gz FNTLWUZMHLOJDH-UWVGGRQHSA-N 1 0 377.357 -0.494 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000573698860 1073845173 /nfs/dbraw/zinc/84/51/73/1073845173.db2.gz FNTLWUZMHLOJDH-VHSXEESVSA-N 1 0 377.357 -0.494 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000573698861 1073845152 /nfs/dbraw/zinc/84/51/52/1073845152.db2.gz FNTLWUZMHLOJDH-ZJUUUORDSA-N 1 0 377.357 -0.494 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000575882299 1073927104 /nfs/dbraw/zinc/92/71/04/1073927104.db2.gz PNPLSQJVCARCAH-ZJUUUORDSA-N 1 0 398.397 -0.702 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000578619502 530078949 /nfs/dbraw/zinc/07/89/49/530078949.db2.gz SMYUFMCYERVHIB-GFCCVEGCSA-N 1 0 379.464 -0.880 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000578619503 530079145 /nfs/dbraw/zinc/07/91/45/530079145.db2.gz SMYUFMCYERVHIB-LBPRGKRZSA-N 1 0 379.464 -0.880 20 5 GBBDRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000578758829 530081826 /nfs/dbraw/zinc/08/18/26/530081826.db2.gz ANCLTPHTJMMLBB-JTQLQIEISA-N 1 0 375.432 -0.088 20 5 GBBDRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000578758830 530081901 /nfs/dbraw/zinc/08/19/01/530081901.db2.gz ANCLTPHTJMMLBB-SNVBAGLBSA-N 1 0 375.432 -0.088 20 5 GBBDRO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000579008406 1072342356 /nfs/dbraw/zinc/34/23/56/1072342356.db2.gz TXFGFJUVZJILDA-CYBMUJFWSA-N 1 0 385.446 -0.636 20 5 GBBDRO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000579008407 1072342376 /nfs/dbraw/zinc/34/23/76/1072342376.db2.gz TXFGFJUVZJILDA-ZDUSSCGKSA-N 1 0 385.446 -0.636 20 5 GBBDRO O=C(CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH2+]CC1 ZINC000579098282 1072355791 /nfs/dbraw/zinc/35/57/91/1072355791.db2.gz QXQAASAXWMORSK-UHFFFAOYSA-N 1 0 376.417 -0.142 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000579475243 530084700 /nfs/dbraw/zinc/08/47/00/530084700.db2.gz YLPDVUDFJDFKFW-LLVKDONJSA-N 1 0 378.357 -0.014 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000579475244 530084549 /nfs/dbraw/zinc/08/45/49/530084549.db2.gz YLPDVUDFJDFKFW-NSHDSACASA-N 1 0 378.357 -0.014 20 5 GBBDRO NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579495517 1072438917 /nfs/dbraw/zinc/43/89/17/1072438917.db2.gz DHXONJOILZMARN-GHMZBOCLSA-N 1 0 393.425 -0.444 20 5 GBBDRO NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579495518 1072438459 /nfs/dbraw/zinc/43/84/59/1072438459.db2.gz DHXONJOILZMARN-MNOVXSKESA-N 1 0 393.425 -0.444 20 5 GBBDRO C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000579635808 1072461955 /nfs/dbraw/zinc/46/19/55/1072461955.db2.gz ISTPSVINFKOOAG-JTQLQIEISA-N 1 0 397.457 -0.032 20 5 GBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579853400 1072493800 /nfs/dbraw/zinc/49/38/00/1072493800.db2.gz ODSLGLRSHUJBQD-KBPBESRZSA-N 1 0 375.385 -0.515 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579853401 1072493928 /nfs/dbraw/zinc/49/39/28/1072493928.db2.gz ODSLGLRSHUJBQD-KGLIPLIRSA-N 1 0 375.385 -0.515 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579853402 1072494436 /nfs/dbraw/zinc/49/44/36/1072494436.db2.gz ODSLGLRSHUJBQD-UONOGXRCSA-N 1 0 375.385 -0.515 20 5 GBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579853403 1072194991 /nfs/dbraw/zinc/19/49/91/1072194991.db2.gz ODSLGLRSHUJBQD-ZIAGYGMSSA-N 1 0 375.385 -0.515 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000580215552 1072436677 /nfs/dbraw/zinc/43/66/77/1072436677.db2.gz LWYASZWRADEVLC-CHWSQXEVSA-N 1 0 375.385 -0.710 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000580215557 1072436601 /nfs/dbraw/zinc/43/66/01/1072436601.db2.gz LWYASZWRADEVLC-OLZOCXBDSA-N 1 0 375.385 -0.710 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000580215558 1072436800 /nfs/dbraw/zinc/43/68/00/1072436800.db2.gz LWYASZWRADEVLC-QWHCGFSZSA-N 1 0 375.385 -0.710 20 5 GBBDRO Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000580215559 1072437132 /nfs/dbraw/zinc/43/71/32/1072437132.db2.gz LWYASZWRADEVLC-STQMWFEESA-N 1 0 375.385 -0.710 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000580294389 1072913145 /nfs/dbraw/zinc/91/31/45/1072913145.db2.gz WVNPIDVQNNOPSX-AWEZNQCLSA-N 1 0 392.460 -0.077 20 5 GBBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000580294392 1072913111 /nfs/dbraw/zinc/91/31/11/1072913111.db2.gz WVNPIDVQNNOPSX-CQSZACIVSA-N 1 0 392.460 -0.077 20 5 GBBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000580430083 1072915838 /nfs/dbraw/zinc/91/58/38/1072915838.db2.gz WBZCLEAURWJLDS-UHFFFAOYSA-N 1 0 382.442 -0.027 20 5 GBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580771277 1072493174 /nfs/dbraw/zinc/49/31/74/1072493174.db2.gz BXEGLYDUIWRHOV-HNNXBMFYSA-N 1 0 389.412 -0.253 20 5 GBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580771280 1072924515 /nfs/dbraw/zinc/92/45/15/1072924515.db2.gz BXEGLYDUIWRHOV-OAHLLOKOSA-N 1 0 389.412 -0.253 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580951576 530123565 /nfs/dbraw/zinc/12/35/65/530123565.db2.gz CZTVPSPYZHKHSD-UHFFFAOYSA-N 1 0 376.366 -0.547 20 5 GBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581019121 1072926064 /nfs/dbraw/zinc/92/60/64/1072926064.db2.gz KDKQEHFTLXHZBE-HNNXBMFYSA-N 1 0 386.430 -0.554 20 5 GBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581019122 1072926122 /nfs/dbraw/zinc/92/61/22/1072926122.db2.gz KDKQEHFTLXHZBE-OAHLLOKOSA-N 1 0 386.430 -0.554 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000581022949 1072925695 /nfs/dbraw/zinc/92/56/95/1072925695.db2.gz PIPBEMXIBUPRPN-GZMMTYOYSA-N 1 0 388.377 -0.325 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000581022950 1072926138 /nfs/dbraw/zinc/92/61/38/1072926138.db2.gz PIPBEMXIBUPRPN-KCJUWKMLSA-N 1 0 388.377 -0.325 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000581022951 1072925906 /nfs/dbraw/zinc/92/59/06/1072925906.db2.gz PIPBEMXIBUPRPN-KWQFWETISA-N 1 0 388.377 -0.325 20 5 GBBDRO COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000581022952 1072925811 /nfs/dbraw/zinc/92/58/11/1072925811.db2.gz PIPBEMXIBUPRPN-LDYMZIIASA-N 1 0 388.377 -0.325 20 5 GBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000581440980 1072587126 /nfs/dbraw/zinc/58/71/26/1072587126.db2.gz YDGGLJFNEXVHNW-FPMFFAJLSA-N 1 0 389.412 -0.149 20 5 GBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000581440981 1072587215 /nfs/dbraw/zinc/58/72/15/1072587215.db2.gz YDGGLJFNEXVHNW-IACUBPJLSA-N 1 0 389.412 -0.149 20 5 GBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000581440982 1072931233 /nfs/dbraw/zinc/93/12/33/1072931233.db2.gz YDGGLJFNEXVHNW-UBHSHLNASA-N 1 0 389.412 -0.149 20 5 GBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000581440983 1072931038 /nfs/dbraw/zinc/93/10/38/1072931038.db2.gz YDGGLJFNEXVHNW-YUTCNCBUSA-N 1 0 389.412 -0.149 20 5 GBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000581487701 1072596806 /nfs/dbraw/zinc/59/68/06/1072596806.db2.gz CKWGINADXOLAGZ-JTQLQIEISA-N 1 0 392.424 -0.006 20 5 GBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000581487702 1072931089 /nfs/dbraw/zinc/93/10/89/1072931089.db2.gz CKWGINADXOLAGZ-SNVBAGLBSA-N 1 0 392.424 -0.006 20 5 GBBDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000581627277 1072931805 /nfs/dbraw/zinc/93/18/05/1072931805.db2.gz CQRWXOFWOZUMOO-UHFFFAOYSA-N 1 0 393.444 -0.062 20 5 GBBDRO CN(CC(=O)NC[C@H]1C[NH2+]CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582300468 1072938516 /nfs/dbraw/zinc/93/85/16/1072938516.db2.gz JATJVXUBWHBZMX-CYBMUJFWSA-N 1 0 386.430 -0.290 20 5 GBBDRO CN(CC(=O)NC[C@@H]1C[NH2+]CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582300469 1072938338 /nfs/dbraw/zinc/93/83/38/1072938338.db2.gz JATJVXUBWHBZMX-ZDUSSCGKSA-N 1 0 386.430 -0.290 20 5 GBBDRO O=C(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH2+]CC1 ZINC000582355058 1072938674 /nfs/dbraw/zinc/93/86/74/1072938674.db2.gz PUIYNTHRNQFKPB-LLVKDONJSA-N 1 0 395.441 -0.191 20 5 GBBDRO O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH2+]CC1 ZINC000582355059 1072340941 /nfs/dbraw/zinc/34/09/41/1072340941.db2.gz PUIYNTHRNQFKPB-NSHDSACASA-N 1 0 395.441 -0.191 20 5 GBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000582371724 1072938313 /nfs/dbraw/zinc/93/83/13/1072938313.db2.gz KJFJSBYSMZQCSH-KBPBESRZSA-N 1 0 375.385 -0.976 20 5 GBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000582371725 1072938369 /nfs/dbraw/zinc/93/83/69/1072938369.db2.gz KJFJSBYSMZQCSH-KGLIPLIRSA-N 1 0 375.385 -0.976 20 5 GBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000582371726 1072342697 /nfs/dbraw/zinc/34/26/97/1072342697.db2.gz KJFJSBYSMZQCSH-UONOGXRCSA-N 1 0 375.385 -0.976 20 5 GBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000582371727 1072342316 /nfs/dbraw/zinc/34/23/16/1072342316.db2.gz KJFJSBYSMZQCSH-ZIAGYGMSSA-N 1 0 375.385 -0.976 20 5 GBBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000582419884 1072352280 /nfs/dbraw/zinc/35/22/80/1072352280.db2.gz MTLLKMMODBQCQL-UHFFFAOYSA-N 1 0 384.414 -0.581 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000582482027 1072939646 /nfs/dbraw/zinc/93/96/46/1072939646.db2.gz QZVFIJQRZDVEDD-INIZCTEOSA-N 1 0 390.448 -0.256 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000582482028 1072360159 /nfs/dbraw/zinc/36/01/59/1072360159.db2.gz QZVFIJQRZDVEDD-MRXNPFEDSA-N 1 0 390.448 -0.256 20 5 GBBDRO COc1ccc(S(=O)(=O)N2CCN(CCOCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000583026208 1072425321 /nfs/dbraw/zinc/42/53/21/1072425321.db2.gz YAJVGXJOCCSABI-UHFFFAOYSA-N 1 0 388.446 -0.115 20 5 GBBDRO COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000583035286 1072426201 /nfs/dbraw/zinc/42/62/01/1072426201.db2.gz ONSPVEPYOOIAKN-NEPJUHHUSA-N 1 0 391.384 -0.754 20 5 GBBDRO COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000583035293 1072427361 /nfs/dbraw/zinc/42/73/61/1072427361.db2.gz ONSPVEPYOOIAKN-NWDGAFQWSA-N 1 0 391.384 -0.754 20 5 GBBDRO COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000583035294 1072426377 /nfs/dbraw/zinc/42/63/77/1072426377.db2.gz ONSPVEPYOOIAKN-RYUDHWBXSA-N 1 0 391.384 -0.754 20 5 GBBDRO COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000583035295 1072426409 /nfs/dbraw/zinc/42/64/09/1072426409.db2.gz ONSPVEPYOOIAKN-VXGBXAGGSA-N 1 0 391.384 -0.754 20 5 GBBDRO COc1ccc(C(=O)NCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000583450677 1072462724 /nfs/dbraw/zinc/46/27/24/1072462724.db2.gz XBCJPNXHNILYQN-GOSISDBHSA-N 1 0 392.412 -0.094 20 5 GBBDRO COc1ccc(C(=O)NCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000583450678 1072462461 /nfs/dbraw/zinc/46/24/61/1072462461.db2.gz XBCJPNXHNILYQN-SFHVURJKSA-N 1 0 392.412 -0.094 20 5 GBBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583490339 1072466697 /nfs/dbraw/zinc/46/66/97/1072466697.db2.gz WBEODMBESXZKBK-CYBMUJFWSA-N 1 0 376.417 -0.103 20 5 GBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583704709 1072498129 /nfs/dbraw/zinc/49/81/29/1072498129.db2.gz OEXFAMBQCRLWAP-CHWSQXEVSA-N 1 0 375.385 -0.134 20 5 GBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583704710 1072497505 /nfs/dbraw/zinc/49/75/05/1072497505.db2.gz OEXFAMBQCRLWAP-OLZOCXBDSA-N 1 0 375.385 -0.134 20 5 GBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583704711 1072498423 /nfs/dbraw/zinc/49/84/23/1072498423.db2.gz OEXFAMBQCRLWAP-QWHCGFSZSA-N 1 0 375.385 -0.134 20 5 GBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583704712 1072496984 /nfs/dbraw/zinc/49/69/84/1072496984.db2.gz OEXFAMBQCRLWAP-STQMWFEESA-N 1 0 375.385 -0.134 20 5 GBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000583933702 1072515790 /nfs/dbraw/zinc/51/57/90/1072515790.db2.gz OOKBZJIIPTZCPL-UHFFFAOYSA-N 1 0 399.473 -0.325 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584171038 1072535615 /nfs/dbraw/zinc/53/56/15/1072535615.db2.gz YZBBPTTXNDYNPO-AWEZNQCLSA-N 1 0 389.412 -0.174 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584171039 1072535468 /nfs/dbraw/zinc/53/54/68/1072535468.db2.gz YZBBPTTXNDYNPO-CQSZACIVSA-N 1 0 389.412 -0.174 20 5 GBBDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584346127 1072546633 /nfs/dbraw/zinc/54/66/33/1072546633.db2.gz TXOJKONOKPKHSO-CYBMUJFWSA-N 1 0 380.405 -0.004 20 5 GBBDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584346128 1072546784 /nfs/dbraw/zinc/54/67/84/1072546784.db2.gz TXOJKONOKPKHSO-ZDUSSCGKSA-N 1 0 380.405 -0.004 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433722 1072559481 /nfs/dbraw/zinc/55/94/81/1072559481.db2.gz NMMGSNBUZBVEBB-GXTWGEPZSA-N 1 0 387.462 -0.054 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433723 1072559866 /nfs/dbraw/zinc/55/98/66/1072559866.db2.gz NMMGSNBUZBVEBB-JSGCOSHPSA-N 1 0 387.462 -0.054 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433724 1072559582 /nfs/dbraw/zinc/55/95/82/1072559582.db2.gz NMMGSNBUZBVEBB-OCCSQVGLSA-N 1 0 387.462 -0.054 20 5 GBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433725 1072559907 /nfs/dbraw/zinc/55/99/07/1072559907.db2.gz NMMGSNBUZBVEBB-TZMCWYRMSA-N 1 0 387.462 -0.054 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584608592 1073295193 /nfs/dbraw/zinc/29/51/93/1073295193.db2.gz UTORIFFXHXSDDX-CYBMUJFWSA-N 1 0 397.457 -0.621 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584608593 1073295359 /nfs/dbraw/zinc/29/53/59/1073295359.db2.gz UTORIFFXHXSDDX-ZDUSSCGKSA-N 1 0 397.457 -0.621 20 5 GBBDRO CS(=O)(=O)NC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000591723731 530420584 /nfs/dbraw/zinc/42/05/84/530420584.db2.gz TZZKMHXUTKETBW-CYBMUJFWSA-N 1 0 375.451 -0.006 20 5 GBBDRO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000591723732 530420648 /nfs/dbraw/zinc/42/06/48/530420648.db2.gz TZZKMHXUTKETBW-ZDUSSCGKSA-N 1 0 375.451 -0.006 20 5 GBBDRO CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591726067 530420368 /nfs/dbraw/zinc/42/03/68/530420368.db2.gz GUADQSRPXBHVAS-AWEZNQCLSA-N 1 0 375.451 -0.054 20 5 GBBDRO CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591726069 530420660 /nfs/dbraw/zinc/42/06/60/530420660.db2.gz GUADQSRPXBHVAS-CQSZACIVSA-N 1 0 375.451 -0.054 20 5 GBBDRO CS(=O)(=O)N1CC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591761374 530420819 /nfs/dbraw/zinc/42/08/19/530420819.db2.gz FQUAUPBCAGDGCR-UHFFFAOYSA-N 1 0 377.444 -0.151 20 5 GBBDRO O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000599097338 1073534911 /nfs/dbraw/zinc/53/49/11/1073534911.db2.gz CBKJWZRUOFTMDN-UHFFFAOYSA-N 1 0 383.430 -0.074 20 5 GBBDRO O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000599103251 530079314 /nfs/dbraw/zinc/07/93/14/530079314.db2.gz PZCKGZBJJQYURB-UHFFFAOYSA-N 1 0 389.459 -0.012 20 5 GBBDRO O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000599104131 1073538695 /nfs/dbraw/zinc/53/86/95/1073538695.db2.gz ZYDYYGHHAKXFCR-UHFFFAOYSA-N 1 0 383.430 -0.074 20 5 GBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609177162 1072225181 /nfs/dbraw/zinc/22/51/81/1072225181.db2.gz UXBMVQBRDRCDBD-UHFFFAOYSA-N 1 0 389.420 -0.305 20 5 GBBDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609938260 1072329065 /nfs/dbraw/zinc/32/90/65/1072329065.db2.gz WWRSFLGACXNUQV-SNVBAGLBSA-N 1 0 382.373 -0.267 20 5 GBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610588055 1072222611 /nfs/dbraw/zinc/22/26/11/1072222611.db2.gz AJUKIMVOUIYXGM-TXEJJXNPSA-N 1 0 388.446 -0.633 20 5 GBBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610864361 1072268761 /nfs/dbraw/zinc/26/87/61/1072268761.db2.gz YJHBGQZMDFUJKB-UHFFFAOYSA-N 1 0 379.421 -0.259 20 5 GBBDRO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])n1 ZINC000611105544 1072224564 /nfs/dbraw/zinc/22/45/64/1072224564.db2.gz GWTPRYDYLLKXLE-LLVKDONJSA-N 1 0 388.450 -0.323 20 5 GBBDRO CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612029174 1072656843 /nfs/dbraw/zinc/65/68/43/1072656843.db2.gz KYQGHGLLXKHZCJ-CYBMUJFWSA-N 1 0 388.446 -0.242 20 5 GBBDRO CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612029175 1072656513 /nfs/dbraw/zinc/65/65/13/1072656513.db2.gz KYQGHGLLXKHZCJ-ZDUSSCGKSA-N 1 0 388.446 -0.242 20 5 GBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728569124 1072466505 /nfs/dbraw/zinc/46/65/05/1072466505.db2.gz MCXRPAZXTPUHHK-UHFFFAOYSA-N 1 0 397.457 -0.013 20 5 GBBDRO NC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000728868086 1073567781 /nfs/dbraw/zinc/56/77/81/1073567781.db2.gz XWVMVILWSXXXIK-UHFFFAOYSA-N 1 0 392.416 -0.586 20 5 GBBDRO C[NH+](C)CCNC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000734980514 637573688 /nfs/dbraw/zinc/57/36/88/637573688.db2.gz CXLLKFIMSGDEDJ-UHFFFAOYSA-N 1 0 375.476 -0.101 20 5 GBBDRO C[NH+]1CCN(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863961 598501998 /nfs/dbraw/zinc/50/19/98/598501998.db2.gz NSNYADWYADRXAR-CYBMUJFWSA-N 1 0 389.420 -0.378 20 5 GBBDRO C[NH+]1CCN(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863962 598501823 /nfs/dbraw/zinc/50/18/23/598501823.db2.gz NSNYADWYADRXAR-ZDUSSCGKSA-N 1 0 389.420 -0.378 20 5 GBBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737876191 598673117 /nfs/dbraw/zinc/67/31/17/598673117.db2.gz IUQLCLDLBOYFBK-UHFFFAOYSA-N 1 0 387.404 -0.086 20 5 GBBDRO CN(C)C(=O)CC[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821575893 606728955 /nfs/dbraw/zinc/72/89/55/606728955.db2.gz UFFCSOVQHNKHGP-UHFFFAOYSA-N 1 0 375.393 -0.230 20 5 GBBDRO CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821575911 606729258 /nfs/dbraw/zinc/72/92/58/606729258.db2.gz VDMJPUYSRQHWLS-UHFFFAOYSA-N 1 0 375.393 -0.230 20 5 GBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821623412 607035553 /nfs/dbraw/zinc/03/55/53/607035553.db2.gz LDKZSRZTWGGUJZ-GFCCVEGCSA-N 1 0 387.404 -0.087 20 5 GBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821623413 607035594 /nfs/dbraw/zinc/03/55/94/607035594.db2.gz LDKZSRZTWGGUJZ-LBPRGKRZSA-N 1 0 387.404 -0.087 20 5 GBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624049 607035718 /nfs/dbraw/zinc/03/57/18/607035718.db2.gz YHLDRUPKAMUBCU-CYBMUJFWSA-N 1 0 387.404 -0.087 20 5 GBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624050 607035429 /nfs/dbraw/zinc/03/54/29/607035429.db2.gz YHLDRUPKAMUBCU-ZDUSSCGKSA-N 1 0 387.404 -0.087 20 5 GBBDRO O=C(C[NH+]1CCCC1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822997858 606707209 /nfs/dbraw/zinc/70/72/09/606707209.db2.gz WFROOSJZBYMBJH-UHFFFAOYSA-N 1 0 387.404 -0.086 20 5 GBBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064553 /nfs/dbraw/zinc/06/45/53/608064553.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 1 0 388.392 -0.194 20 5 GBBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034965 /nfs/dbraw/zinc/03/49/65/608034965.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 1 0 391.396 -0.798 20 5 GBBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034645 /nfs/dbraw/zinc/03/46/45/608034645.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 1 0 391.396 -0.798 20 5 GBBDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nn[nH]n1 ZINC000826077456 608019640 /nfs/dbraw/zinc/01/96/40/608019640.db2.gz IQXAYUNALQBRKB-UHFFFAOYSA-N 1 0 389.380 -0.125 20 5 GBBDRO C[NH+](C)CCONC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000833860072 638030279 /nfs/dbraw/zinc/03/02/79/638030279.db2.gz YSHYWHAGPGDNRE-UHFFFAOYSA-N 1 0 375.407 -0.346 20 5 GBBDRO C[NH+](C)CCNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921142375 637558480 /nfs/dbraw/zinc/55/84/80/637558480.db2.gz BRTPLBSRGOXXHI-UHFFFAOYSA-N 1 0 375.476 -0.101 20 5 GBBDRO CN1CC[N@H+](C)CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001142206249 1073729106 /nfs/dbraw/zinc/72/91/06/1073729106.db2.gz SFKONYMGOITKKW-UHFFFAOYSA-N 1 0 399.473 -0.517 20 5 GBBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001142206257 1073730785 /nfs/dbraw/zinc/73/07/85/1073730785.db2.gz SHILNVWWJXIJIQ-DOMZBBRYSA-N 1 0 397.457 -0.622 20 5 GBBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001167090200 1072225332 /nfs/dbraw/zinc/22/53/32/1072225332.db2.gz WPEZKYXWOAAWFM-GXSJLCMTSA-N 1 0 382.373 -0.292 20 5 GBBDRO CCNC(=O)CO[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001167147972 1072266017 /nfs/dbraw/zinc/26/60/17/1072266017.db2.gz ABIIIFGUUKHUAB-CYBMUJFWSA-N 1 0 393.448 -0.084 20 5 GBBDRO CCNC(=O)CO[C@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001167147973 1072265681 /nfs/dbraw/zinc/26/56/81/1072265681.db2.gz ABIIIFGUUKHUAB-ZDUSSCGKSA-N 1 0 393.448 -0.084 20 5 GBBDRO COC(=O)[C@H]1COCCC12CN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2 ZINC001167164238 1072269936 /nfs/dbraw/zinc/26/99/36/1072269936.db2.gz OMQXGFKQMJSMDM-GFCCVEGCSA-N 1 0 392.416 -0.190 20 5 GBBDRO COC(=O)[C@@H]1COCCC12CN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2 ZINC001167164239 1072270086 /nfs/dbraw/zinc/27/00/86/1072270086.db2.gz OMQXGFKQMJSMDM-LBPRGKRZSA-N 1 0 392.416 -0.190 20 5 GBBDRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001167206684 1072276229 /nfs/dbraw/zinc/27/62/29/1072276229.db2.gz YWKQWRDDCCYHRI-JTQLQIEISA-N 1 0 397.413 -0.762 20 5 GBBDRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001167206685 1072276090 /nfs/dbraw/zinc/27/60/90/1072276090.db2.gz YWKQWRDDCCYHRI-SNVBAGLBSA-N 1 0 397.413 -0.762 20 5 GBBDRO COC(=O)C(C(=O)OC)c1ncc(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167674457 1072540046 /nfs/dbraw/zinc/54/00/46/1072540046.db2.gz QCYXEKQWQZIWAN-UHFFFAOYSA-N 1 0 390.356 -0.148 20 5 GBBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917681 1070797190 /nfs/dbraw/zinc/79/71/90/1070797190.db2.gz MTFIIIDFAUUTHN-GXTWGEPZSA-N 1 0 397.457 -0.622 20 5 GBBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917682 1070796585 /nfs/dbraw/zinc/79/65/85/1070796585.db2.gz MTFIIIDFAUUTHN-JSGCOSHPSA-N 1 0 397.457 -0.622 20 5 GBBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917683 1070796678 /nfs/dbraw/zinc/79/66/78/1070796678.db2.gz MTFIIIDFAUUTHN-OCCSQVGLSA-N 1 0 397.457 -0.622 20 5 GBBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917684 1070796633 /nfs/dbraw/zinc/79/66/33/1070796633.db2.gz MTFIIIDFAUUTHN-TZMCWYRMSA-N 1 0 397.457 -0.622 20 5 GBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001629092216 1070802725 /nfs/dbraw/zinc/80/27/25/1070802725.db2.gz KQBUFZPEZMUFAL-UHFFFAOYSA-N 1 0 398.441 -0.156 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140928 1070803919 /nfs/dbraw/zinc/80/39/19/1070803919.db2.gz KDOOBLCWVTWENM-PBHICJAKSA-N 1 0 394.428 -0.077 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140929 1070805436 /nfs/dbraw/zinc/80/54/36/1070805436.db2.gz KDOOBLCWVTWENM-RHSMWYFYSA-N 1 0 394.428 -0.077 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140930 1070804546 /nfs/dbraw/zinc/80/45/46/1070804546.db2.gz KDOOBLCWVTWENM-WMLDXEAASA-N 1 0 394.428 -0.077 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140931 1070805589 /nfs/dbraw/zinc/80/55/89/1070805589.db2.gz KDOOBLCWVTWENM-YOEHRIQHSA-N 1 0 394.428 -0.077 20 5 GBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001629357428 1070814364 /nfs/dbraw/zinc/81/43/64/1070814364.db2.gz WLXXAICYVTWHIY-GFCCVEGCSA-N 1 0 386.430 -0.290 20 5 GBBDRO COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001629357429 1070813505 /nfs/dbraw/zinc/81/35/05/1070813505.db2.gz WLXXAICYVTWHIY-LBPRGKRZSA-N 1 0 386.430 -0.290 20 5 GBBDRO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001629591135 1070825672 /nfs/dbraw/zinc/82/56/72/1070825672.db2.gz PBOBMSURERJOKI-GWCFXTLKSA-N 1 0 385.446 -0.394 20 5 GBBDRO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001629591136 1070826680 /nfs/dbraw/zinc/82/66/80/1070826680.db2.gz PBOBMSURERJOKI-GXFFZTMASA-N 1 0 385.446 -0.394 20 5 GBBDRO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001629591137 1070827842 /nfs/dbraw/zinc/82/78/42/1070827842.db2.gz PBOBMSURERJOKI-MFKMUULPSA-N 1 0 385.446 -0.394 20 5 GBBDRO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001629591138 1070827502 /nfs/dbraw/zinc/82/75/02/1070827502.db2.gz PBOBMSURERJOKI-ZWNOBZJWSA-N 1 0 385.446 -0.394 20 5 GBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001631389587 1070908800 /nfs/dbraw/zinc/90/88/00/1070908800.db2.gz FKXKYVGGOHCULT-UHFFFAOYSA-N 1 0 380.401 -0.558 20 5 GBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001633005208 1070962306 /nfs/dbraw/zinc/96/23/06/1070962306.db2.gz ZBBHHRQHUFTVTD-HNNXBMFYSA-N 1 0 395.464 -0.113 20 5 GBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001633005209 1070962691 /nfs/dbraw/zinc/96/26/91/1070962691.db2.gz ZBBHHRQHUFTVTD-OAHLLOKOSA-N 1 0 395.464 -0.113 20 5 GBBDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001634055740 1070998490 /nfs/dbraw/zinc/99/84/90/1070998490.db2.gz IZJPBXDOAYODGC-YSVLISHTSA-N 1 0 394.428 -0.485 20 5 GBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1=O ZINC001635006913 1071036238 /nfs/dbraw/zinc/03/62/38/1071036238.db2.gz UAQAVDRPXMBZFK-CYBMUJFWSA-N 1 0 377.401 -0.432 20 5 GBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1=O ZINC001635006921 1071036264 /nfs/dbraw/zinc/03/62/64/1071036264.db2.gz UAQAVDRPXMBZFK-ZDUSSCGKSA-N 1 0 377.401 -0.432 20 5 GBBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC[NH+]1CCC(O)CC1 ZINC001635687296 1071054608 /nfs/dbraw/zinc/05/46/08/1071054608.db2.gz BLIAVODRMNRIDC-UHFFFAOYSA-N 1 0 376.369 -0.236 20 5 GBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC001636962270 1071108382 /nfs/dbraw/zinc/10/83/82/1071108382.db2.gz MNVGVZWMEAODNK-AWEZNQCLSA-N 1 0 379.417 -0.033 20 5 GBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001636962271 1071108282 /nfs/dbraw/zinc/10/82/82/1071108282.db2.gz MNVGVZWMEAODNK-CQSZACIVSA-N 1 0 379.417 -0.033 20 5 GBBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001639045919 1071199184 /nfs/dbraw/zinc/19/91/84/1071199184.db2.gz AQYNDMHNSWFBCX-GFCCVEGCSA-N 1 0 399.473 -0.002 20 5 GBBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001639045920 1071198938 /nfs/dbraw/zinc/19/89/38/1071198938.db2.gz AQYNDMHNSWFBCX-LBPRGKRZSA-N 1 0 399.473 -0.002 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC001642000869 1071288429 /nfs/dbraw/zinc/28/84/29/1071288429.db2.gz VIELRCODBBJTTQ-CYBMUJFWSA-N 1 0 382.421 -0.605 20 5 GBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC001642000870 1071288606 /nfs/dbraw/zinc/28/86/06/1071288606.db2.gz VIELRCODBBJTTQ-ZDUSSCGKSA-N 1 0 382.421 -0.605 20 5 GBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001643209010 1071326263 /nfs/dbraw/zinc/32/62/63/1071326263.db2.gz UXFKOBWUGNZJQA-KRWDZBQOSA-N 1 0 379.417 -0.081 20 5 GBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001643209011 1071326486 /nfs/dbraw/zinc/32/64/86/1071326486.db2.gz UXFKOBWUGNZJQA-QGZVFWFLSA-N 1 0 379.417 -0.081 20 5 GBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001644123297 1071361545 /nfs/dbraw/zinc/36/15/45/1071361545.db2.gz AGHHVQLIHZAIKS-HNNXBMFYSA-N 1 0 386.430 -0.602 20 5 GBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001644123298 1071361434 /nfs/dbraw/zinc/36/14/34/1071361434.db2.gz AGHHVQLIHZAIKS-OAHLLOKOSA-N 1 0 386.430 -0.602 20 5 GBBDRO O=C(C[N@H+]1C[C@H](CO)[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644246857 1071367775 /nfs/dbraw/zinc/36/77/75/1071367775.db2.gz TUVOHSTWRSYEGS-GASCZTMLSA-N 1 0 378.429 -0.224 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702435 1071388672 /nfs/dbraw/zinc/38/86/72/1071388672.db2.gz CNLRNXJVNKJGDU-UONOGXRCSA-N 1 0 390.396 -0.012 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001645442498 1071424172 /nfs/dbraw/zinc/42/41/72/1071424172.db2.gz RNCURXJMFHPZJB-UHFFFAOYSA-N 1 0 398.441 -0.148 20 5 GBBDRO CN(CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001647773382 1071452895 /nfs/dbraw/zinc/45/28/95/1071452895.db2.gz SVORJNVDPBCMLR-GFCCVEGCSA-N 1 0 398.441 -0.195 20 5 GBBDRO CN(CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001647773383 1071452916 /nfs/dbraw/zinc/45/29/16/1071452916.db2.gz SVORJNVDPBCMLR-LBPRGKRZSA-N 1 0 398.441 -0.195 20 5 GBBDRO O=C(CN1CC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426804 1071482828 /nfs/dbraw/zinc/48/28/28/1071482828.db2.gz OEUPARKSRXZRST-AWEZNQCLSA-N 1 0 398.441 -0.506 20 5 GBBDRO O=C(CN1CC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426805 1071482913 /nfs/dbraw/zinc/48/29/13/1071482913.db2.gz OEUPARKSRXZRST-CQSZACIVSA-N 1 0 398.441 -0.506 20 5 GBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC001650698151 1071501311 /nfs/dbraw/zinc/50/13/11/1071501311.db2.gz FEFSPYHSLPPQTL-KRWDZBQOSA-N 1 0 378.385 -0.155 20 5 GBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC001650698152 1071501259 /nfs/dbraw/zinc/50/12/59/1071501259.db2.gz FEFSPYHSLPPQTL-QGZVFWFLSA-N 1 0 378.385 -0.155 20 5 GBBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 ZINC001652629191 1071542244 /nfs/dbraw/zinc/54/22/44/1071542244.db2.gz ZOBYLBOSKMCXHC-UHFFFAOYSA-N 1 0 397.457 -0.296 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690893 1071543372 /nfs/dbraw/zinc/54/33/72/1071543372.db2.gz ORYNVSYTBJGEBK-LLVKDONJSA-N 1 0 376.369 -0.091 20 5 GBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690894 1071543278 /nfs/dbraw/zinc/54/32/78/1071543278.db2.gz ORYNVSYTBJGEBK-NSHDSACASA-N 1 0 376.369 -0.091 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690981 1071543052 /nfs/dbraw/zinc/54/30/52/1071543052.db2.gz QEJKWXZCBZUAQO-LLVKDONJSA-N 1 0 384.414 -0.538 20 5 GBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690982 1071543349 /nfs/dbraw/zinc/54/33/49/1071543349.db2.gz QEJKWXZCBZUAQO-NSHDSACASA-N 1 0 384.414 -0.538 20 5 GBBDRO O=C(NCC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)NCc1ccc([N+](=O)[O-])cc1 ZINC001652691025 1071543776 /nfs/dbraw/zinc/54/37/76/1071543776.db2.gz RGAXMGOBMOUKBP-CYBMUJFWSA-N 1 0 377.401 -0.017 20 5 GBBDRO O=C(NCC(=O)N1CC([NH2+][C@H]2CCOC2)C1)NCc1ccc([N+](=O)[O-])cc1 ZINC001652691026 1071543010 /nfs/dbraw/zinc/54/30/10/1071543010.db2.gz RGAXMGOBMOUKBP-ZDUSSCGKSA-N 1 0 377.401 -0.017 20 5 GBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001678721920 1071882211 /nfs/dbraw/zinc/88/22/11/1071882211.db2.gz BGJQQPZVRNNDNW-IAOVAPTHSA-N 1 0 395.460 -0.076 20 5 GBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001684356787 1071973812 /nfs/dbraw/zinc/97/38/12/1071973812.db2.gz QWVLEBHZELSNMR-ARFHVFGLSA-N 1 0 381.433 -0.466 20 5 GBBDRO C[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001685806232 1072013281 /nfs/dbraw/zinc/01/32/81/1072013281.db2.gz PCTFDPBPBPPANO-IAOVAPTHSA-N 1 0 395.460 -0.076 20 5 GBBDRO C[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001685806233 1072013364 /nfs/dbraw/zinc/01/33/64/1072013364.db2.gz PCTFDPBPBPPANO-KBRIMQKVSA-N 1 0 395.460 -0.076 20 5 GBBDRO