smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCSCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864176227 939255509 /nfs/dbraw/zinc/25/55/09/939255509.db2.gz QLXBYOZERXKOCP-OAHLLOKOSA-N -1 0 340.401 2.544 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOc2c(F)c(F)ccc21 ZINC001570575702 1086376842 /nfs/dbraw/zinc/37/68/42/1086376842.db2.gz IMEQVLVEKMVVIV-UHFFFAOYSA-N -1 0 336.250 2.618 10 5 EFBERM O=C(NCCc1nsc2ccccc12)c1cccc([N+](=O)[O-])c1[O-] ZINC001646598669 1087907808 /nfs/dbraw/zinc/90/78/08/1087907808.db2.gz ULDPSONFWYGKMN-UHFFFAOYSA-N -1 0 343.364 2.883 10 5 EFBERM CN(C)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1 ZINC001583864876 1092079233 /nfs/dbraw/zinc/07/92/33/1092079233.db2.gz IBOZOPSWIJBZAC-UHFFFAOYSA-N -1 0 336.735 2.667 10 5 EFBERM C[S@](=O)(=NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001648662712 1092246804 /nfs/dbraw/zinc/24/68/04/1092246804.db2.gz YFWZQDNYPXMZQH-HSZRJFAPSA-N -1 0 338.316 2.737 10 5 EFBERM COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CCC2 ZINC001585609494 1092522513 /nfs/dbraw/zinc/52/25/13/1092522513.db2.gz FFDNPLIHTMGEPS-UHFFFAOYSA-N -1 0 328.324 2.902 10 5 EFBERM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000588508225 1092707010 /nfs/dbraw/zinc/70/70/10/1092707010.db2.gz LCLWSVYWBDAIMT-LUAWRHEFSA-N -1 0 340.401 2.701 10 5 EFBERM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](c2ccccc2)CO1 ZINC001586938942 1092770011 /nfs/dbraw/zinc/77/00/11/1092770011.db2.gz XEIANBBEQAEMKK-BLLLJJGKSA-N -1 0 342.351 2.903 10 5 EFBERM Cc1ccccc1O[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001586951252 1092771571 /nfs/dbraw/zinc/77/15/71/1092771571.db2.gz LJIIRZFELJIYJE-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC001587491653 1092815977 /nfs/dbraw/zinc/81/59/77/1092815977.db2.gz AIJVDRLNQXOKMM-CHWSQXEVSA-N -1 0 332.356 2.664 10 5 EFBERM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001595779778 1094493283 /nfs/dbraw/zinc/49/32/83/1094493283.db2.gz RBCBZUKVCXUUFM-ZFWWWQNUSA-N -1 0 332.287 2.502 10 5 EFBERM Cc1cccc(C)c1OCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001596084416 1094512773 /nfs/dbraw/zinc/51/27/73/1094512773.db2.gz GNIZFMDYUXOQLK-UHFFFAOYSA-N -1 0 330.340 2.726 10 5 EFBERM O=C(Nc1nc2c(s1)CCCC2=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001608054916 1097819048 /nfs/dbraw/zinc/81/90/48/1097819048.db2.gz NWQUCWRRQRFPLG-UHFFFAOYSA-N -1 0 333.325 2.528 10 5 EFBERM COc1ccccc1C(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001615712128 1099164208 /nfs/dbraw/zinc/16/42/08/1099164208.db2.gz YPWZQFDQJZEBRD-UHFFFAOYSA-N -1 0 330.340 2.974 10 5 EFBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCOc2c(F)cccc21 ZINC001624546828 1099704433 /nfs/dbraw/zinc/70/44/33/1099704433.db2.gz LNPGJKIOERWSKG-LLVKDONJSA-N -1 0 332.287 2.944 10 5 EFBERM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001624633086 1099714507 /nfs/dbraw/zinc/71/45/07/1099714507.db2.gz UPOCITLDMBJBRV-UHFFFAOYSA-N -1 0 342.307 2.646 10 5 EFBERM CCOC(=O)CCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001624911245 1099747879 /nfs/dbraw/zinc/74/78/79/1099747879.db2.gz LCMJKJLBHZGHDW-UHFFFAOYSA-N -1 0 338.360 2.544 10 5 EFBERM CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001626401607 1099871014 /nfs/dbraw/zinc/87/10/14/1099871014.db2.gz DULWNTGRYSFZKD-UHFFFAOYSA-N -1 0 347.346 2.696 10 5 EFBERM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC001628246663 1100081803 /nfs/dbraw/zinc/08/18/03/1100081803.db2.gz LLJGIRFMLLESOT-LBPRGKRZSA-N -1 0 330.340 2.806 10 5 EFBERM Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001629215527 1100182521 /nfs/dbraw/zinc/18/25/21/1100182521.db2.gz FIXAOWJCLSMCKE-DEOSSOPVSA-N -1 0 348.380 2.740 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001629427399 1100209041 /nfs/dbraw/zinc/20/90/41/1100209041.db2.gz PPFZSEYPJKJOBY-INIZCTEOSA-N -1 0 346.314 2.653 10 5 EFBERM Cc1cc2nccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])n2n1 ZINC001630445127 1100307824 /nfs/dbraw/zinc/30/78/24/1100307824.db2.gz KQLBOUBTTONFDM-UHFFFAOYSA-N -1 0 347.718 2.557 10 5 EFBERM COc1ccc(C)nc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001630543826 1100316791 /nfs/dbraw/zinc/31/67/91/1100316791.db2.gz JXSVMFORKABWGQ-UHFFFAOYSA-N -1 0 337.719 2.918 10 5 EFBERM COc1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001631090427 1100368147 /nfs/dbraw/zinc/36/81/47/1100368147.db2.gz FQMDWMHUJDCZOG-UHFFFAOYSA-N -1 0 348.311 2.579 10 5 EFBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2ccc3c(c2)OCO3)CC1 ZINC001632236769 1100461825 /nfs/dbraw/zinc/46/18/25/1100461825.db2.gz VYDNPSIGRYIXSO-UHFFFAOYSA-N -1 0 342.307 2.699 10 5 EFBERM C[C@@H]1C[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC001633355024 1100538375 /nfs/dbraw/zinc/53/83/75/1100538375.db2.gz CZOXELXHXPZJTP-ABKXIKBNSA-N -1 0 336.344 2.607 10 5 EFBERM CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001633880431 1100571984 /nfs/dbraw/zinc/57/19/84/1100571984.db2.gz ODEKVEXZQUSQOH-JQWIXIFHSA-N -1 0 328.752 2.641 10 5 EFBERM O=C(NCc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001635883425 1100685919 /nfs/dbraw/zinc/68/59/19/1100685919.db2.gz NRQBUDRPOQTZFR-UHFFFAOYSA-N -1 0 341.245 2.644 10 5 EFBERM C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC001636623105 1100730357 /nfs/dbraw/zinc/73/03/57/1100730357.db2.gz VMONYTAFMHYREX-IONNQARKSA-N -1 0 330.793 2.968 10 5 EFBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)cncc1F ZINC001637276015 1100768967 /nfs/dbraw/zinc/76/89/67/1100768967.db2.gz ZEISICZVRSUFJP-UHFFFAOYSA-N -1 0 329.646 2.879 10 5 EFBERM CN(C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC001637881738 1100813717 /nfs/dbraw/zinc/81/37/17/1100813717.db2.gz PTJTVUUHVAILSL-UHFFFAOYSA-N -1 0 336.735 2.667 10 5 EFBERM O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001638129867 1100834899 /nfs/dbraw/zinc/83/48/99/1100834899.db2.gz SXWVRAKARJAZRT-OAHLLOKOSA-N -1 0 341.323 2.504 10 5 EFBERM COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])CCO2 ZINC001638167183 1100839028 /nfs/dbraw/zinc/83/90/28/1100839028.db2.gz PQVGRAPTCGEBFZ-CQSZACIVSA-N -1 0 344.323 2.563 10 5 EFBERM O=C(NC[C@@H]1COc2ccccc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001638362117 1100852157 /nfs/dbraw/zinc/85/21/57/1100852157.db2.gz LYGZYYLJRHLQMO-SECBINFHSA-N -1 0 348.742 2.860 10 5 EFBERM Nc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001638381915 1100853886 /nfs/dbraw/zinc/85/38/86/1100853886.db2.gz VSVUFDYPACOBTG-UHFFFAOYSA-N -1 0 325.683 2.927 10 5 EFBERM C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001640437569 1101047403 /nfs/dbraw/zinc/04/74/03/1101047403.db2.gz MLZMFLTZEZZJPO-DTORHVGOSA-N -1 0 327.768 2.862 10 5 EFBERM C[C@@H]1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC001640694065 1101072461 /nfs/dbraw/zinc/07/24/61/1101072461.db2.gz IESZQBUWGUHMNC-PSASIEDQSA-N -1 0 328.752 2.641 10 5 EFBERM Cc1cccc(CO[N-]C(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC001641575178 1101147578 /nfs/dbraw/zinc/14/75/78/1101147578.db2.gz KEDYZNSKLQOGME-UHFFFAOYSA-N -1 0 333.369 2.638 10 5 EFBERM COC(=O)[C@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001642609212 1101226311 /nfs/dbraw/zinc/22/63/11/1101226311.db2.gz JSMSGOPHNCJBTF-SNVBAGLBSA-N -1 0 344.323 2.829 10 5 EFBERM O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001651550523 1101347881 /nfs/dbraw/zinc/34/78/81/1101347881.db2.gz IWOHJNVZKPFSCE-NWDGAFQWSA-N -1 0 348.277 2.530 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C=C([O-])c1ccsc1 ZINC001651662336 1101363646 /nfs/dbraw/zinc/36/36/46/1101363646.db2.gz IPWKRGFKYAQIMN-UHFFFAOYSA-N -1 0 325.367 2.621 10 5 EFBERM O=C(Nc1ccnc(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001652880130 1101561604 /nfs/dbraw/zinc/56/16/04/1101561604.db2.gz UMWACJYHSMROIL-UHFFFAOYSA-N -1 0 342.355 2.938 10 5 EFBERM O=C(NC[C@H]1OCc2ccccc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001648803198 1102261456 /nfs/dbraw/zinc/26/14/56/1102261456.db2.gz HFVPXORAANJNCL-CQSZACIVSA-N -1 0 348.742 2.955 10 5 EFBERM CO[C@@]1(C(F)(F)F)CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000906151617 1103968250 /nfs/dbraw/zinc/96/82/50/1103968250.db2.gz FUYKUKZQFFJBQV-ZDUSSCGKSA-N -1 0 348.277 2.759 10 5 EFBERM Cc1nsc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001126646517 1104011009 /nfs/dbraw/zinc/01/10/09/1104011009.db2.gz RILWSNUPGBGHQX-UHFFFAOYSA-N -1 0 343.162 2.770 10 5 EFBERM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339260826 303997691 /nfs/dbraw/zinc/99/76/91/303997691.db2.gz KUKSKYYRWKMYLM-UHFFFAOYSA-N -1 0 343.217 2.672 10 5 EFBERM COc1ccc2nc([N-]c3ncnc(N(C)C)c3[N+](=O)[O-])sc2c1 ZINC000040608492 202455354 /nfs/dbraw/zinc/45/53/54/202455354.db2.gz CDULUOQABIPNOL-UHFFFAOYSA-N -1 0 346.372 2.813 10 5 EFBERM O=C(c1ccccc1)c1ccc(Sc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000192751751 240063193 /nfs/dbraw/zinc/06/31/93/240063193.db2.gz JRWIMXCKEASGCR-UHFFFAOYSA-N -1 0 342.336 2.801 10 5 EFBERM COc1ccccc1[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000069537858 203017599 /nfs/dbraw/zinc/01/75/99/203017599.db2.gz IDNLCPFBZLQSHT-CHWSQXEVSA-N -1 0 328.324 2.595 10 5 EFBERM COC(C)(C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000414378869 244120450 /nfs/dbraw/zinc/12/04/50/244120450.db2.gz BJNSNQMUGKVLPI-UHFFFAOYSA-N -1 0 345.421 2.582 10 5 EFBERM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414385134 244126858 /nfs/dbraw/zinc/12/68/58/244126858.db2.gz UHDPYBVUEKIOGM-UHFFFAOYSA-N -1 0 339.373 2.871 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000159531440 206250769 /nfs/dbraw/zinc/25/07/69/206250769.db2.gz NOIHQLILHWKHBP-SWLSCSKDSA-N -1 0 346.339 2.622 10 5 EFBERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)n1 ZINC000427389952 247345834 /nfs/dbraw/zinc/34/58/34/247345834.db2.gz JKPOPFFHJFRXOL-UHFFFAOYSA-N -1 0 338.270 2.544 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000160547557 206303446 /nfs/dbraw/zinc/30/34/46/206303446.db2.gz ZAARNYXKPBBJHU-ZDUSSCGKSA-N -1 0 334.353 2.576 10 5 EFBERM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436770118 249591440 /nfs/dbraw/zinc/59/14/40/249591440.db2.gz LIEHPZTXASGBIC-CRAIPNDOSA-N -1 0 342.351 2.769 10 5 EFBERM Cn1cc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C(C)(C)C)cn1 ZINC000436795889 249597440 /nfs/dbraw/zinc/59/74/40/249597440.db2.gz GREBIDMZJYFRHP-CQSZACIVSA-N -1 0 332.360 2.551 10 5 EFBERM CCn1ncc2cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c(C)nc21 ZINC000442890184 250138702 /nfs/dbraw/zinc/13/87/02/250138702.db2.gz JJWJMXUYVZANHS-UHFFFAOYSA-N -1 0 341.327 2.626 10 5 EFBERM Cc1sc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000449135621 250929139 /nfs/dbraw/zinc/92/91/39/250929139.db2.gz QLPZWXWHAMWOSK-VIFPVBQESA-N -1 0 328.390 2.974 10 5 EFBERM COc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000164029298 533165948 /nfs/dbraw/zinc/16/59/48/533165948.db2.gz DUVRCRMNLOHXNF-VIFPVBQESA-N -1 0 334.303 2.939 10 5 EFBERM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164779055 533573038 /nfs/dbraw/zinc/57/30/38/533573038.db2.gz RIGZVZXBZVZKGF-VIFPVBQESA-N -1 0 334.303 2.939 10 5 EFBERM O=C([O-])[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000043596345 132414443 /nfs/dbraw/zinc/41/44/43/132414443.db2.gz UHNPXPYIACQOTH-LLVKDONJSA-N -1 0 329.150 2.801 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000324652702 141498821 /nfs/dbraw/zinc/49/88/21/141498821.db2.gz BZIVTSPRQVGCTO-UHFFFAOYSA-N -1 0 330.296 2.619 10 5 EFBERM COc1cccc2c1[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000346303727 142186571 /nfs/dbraw/zinc/18/65/71/142186571.db2.gz BQHLUUMJVKNSLY-LBPRGKRZSA-N -1 0 328.324 2.978 10 5 EFBERM COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(OC)c1 ZINC000349577392 142338268 /nfs/dbraw/zinc/33/82/68/142338268.db2.gz JGIUEJMIKGGMRB-GQCTYLIASA-N -1 0 330.296 2.876 10 5 EFBERM CSc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000342649653 145165987 /nfs/dbraw/zinc/16/59/87/145165987.db2.gz WFLMIBIXDKOTGU-UHFFFAOYSA-N -1 0 331.400 2.574 10 5 EFBERM CN(CCOc1ccc(F)cc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000345641371 145585126 /nfs/dbraw/zinc/58/51/26/145585126.db2.gz OYICHKWRGQRIGS-UHFFFAOYSA-N -1 0 334.303 2.591 10 5 EFBERM CN(CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000350699309 146081621 /nfs/dbraw/zinc/08/16/21/146081621.db2.gz JACBVAUNHJTOHM-UHFFFAOYSA-N -1 0 347.346 2.696 10 5 EFBERM CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352158945 146303863 /nfs/dbraw/zinc/30/38/63/146303863.db2.gz PNRQMAZPXREMFV-QGZVFWFLSA-N -1 0 342.351 2.686 10 5 EFBERM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353066552 146389387 /nfs/dbraw/zinc/38/93/87/146389387.db2.gz WGJGKYFQWWIMHA-RNCFNFMXSA-N -1 0 334.278 2.865 10 5 EFBERM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000355585440 147004089 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ZAQIUYIPOPSBDW-CHWSQXEVSA-N -1 0 334.372 2.579 10 5 EFBERM CC(C)(C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000448516562 477182565 /nfs/dbraw/zinc/18/25/65/477182565.db2.gz XDMXBNODGSRIAY-UHFFFAOYSA-N -1 0 342.277 2.675 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000376140568 477194334 /nfs/dbraw/zinc/19/43/34/477194334.db2.gz JIODOMJNPOCYIB-CQSZACIVSA-N -1 0 346.314 2.733 10 5 EFBERM C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(=O)[O-] ZINC000424266307 477348762 /nfs/dbraw/zinc/34/87/62/477348762.db2.gz UIAWDCJCGWJZRB-LKFCYVNXSA-N -1 0 340.763 2.502 10 5 EFBERM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000376828082 477520458 /nfs/dbraw/zinc/52/04/58/477520458.db2.gz MDAWUVQBIWPNDH-APPDUMDISA-N -1 0 342.351 2.765 10 5 EFBERM O=C(NCCc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436632120 477539004 /nfs/dbraw/zinc/53/90/04/477539004.db2.gz YCHDZRUPOZDBST-UHFFFAOYSA-N -1 0 340.257 2.690 10 5 EFBERM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436687926 477559436 /nfs/dbraw/zinc/55/94/36/477559436.db2.gz RYSIFPAPYRGJTD-AWEZNQCLSA-N -1 0 346.314 2.865 10 5 EFBERM C[C@H]1CCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccn2)C1 ZINC000436701714 477564019 /nfs/dbraw/zinc/56/40/19/477564019.db2.gz FFSLVQLGKGJKFX-NSHDSACASA-N -1 0 342.355 2.794 10 5 EFBERM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2c(c1)OCO2 ZINC000436860937 477616164 /nfs/dbraw/zinc/61/61/64/477616164.db2.gz RFSHSZALAOLNSV-SECBINFHSA-N -1 0 330.296 2.520 10 5 EFBERM COC(=O)c1cnc(/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)s1 ZINC000436921571 477635973 /nfs/dbraw/zinc/63/59/73/477635973.db2.gz VZPLEFVRQQUBFG-ONEGZZNKSA-N -1 0 336.325 2.723 10 5 EFBERM COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1F ZINC000436935855 477641511 /nfs/dbraw/zinc/64/15/11/477641511.db2.gz RDTXOGZMDIPNGF-SECBINFHSA-N -1 0 334.303 2.939 10 5 EFBERM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436967358 477652460 /nfs/dbraw/zinc/65/24/60/477652460.db2.gz YHSQLAROEZOSEF-CYBMUJFWSA-N -1 0 328.324 2.781 10 5 EFBERM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000436971085 477652771 /nfs/dbraw/zinc/65/27/71/477652771.db2.gz NOMYPUVRRVVENH-UHFFFAOYSA-N -1 0 331.115 2.593 10 5 EFBERM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377330003 477742793 /nfs/dbraw/zinc/74/27/93/477742793.db2.gz KGGWNJZPWAFUIE-PBHICJAKSA-N -1 0 342.351 2.951 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000451034635 477797943 /nfs/dbraw/zinc/79/79/43/477797943.db2.gz YAANTNFHJDAILG-UHFFFAOYSA-N -1 0 340.323 2.776 10 5 EFBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)s1 ZINC000451042997 477800785 /nfs/dbraw/zinc/80/07/85/477800785.db2.gz RVKUWXKKIGYESZ-UHFFFAOYSA-N -1 0 325.371 2.730 10 5 EFBERM O=C(N[C@@H]1CCCOc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000368453649 477807676 /nfs/dbraw/zinc/80/76/76/477807676.db2.gz GVXAXJHNAPUTGT-CQSZACIVSA-N -1 0 328.324 2.944 10 5 EFBERM COC(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(C)c1 ZINC000428412086 477889552 /nfs/dbraw/zinc/88/95/52/477889552.db2.gz VJOCPAODAIAEKJ-INIZCTEOSA-N -1 0 348.330 2.752 10 5 EFBERM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000439112801 477931252 /nfs/dbraw/zinc/93/12/52/477931252.db2.gz ZLCWHMBUAFEQNL-UHFFFAOYSA-N -1 0 332.747 2.898 10 5 EFBERM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000439140507 477935622 /nfs/dbraw/zinc/93/56/22/477935622.db2.gz JYSLHPACJNLKIU-RLFDGXBXSA-N -1 0 342.351 2.983 10 5 EFBERM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(C3CC3)cc2)n1 ZINC000516653755 477969315 /nfs/dbraw/zinc/96/93/15/477969315.db2.gz UGHOINPKQXIZMP-UHFFFAOYSA-N -1 0 327.340 2.908 10 5 EFBERM CC1(c2nc(=NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)s[n-]2)CC1 ZINC000600227864 478298528 /nfs/dbraw/zinc/29/85/28/478298528.db2.gz OEWSBZUMHNENNW-UHFFFAOYSA-N -1 0 343.368 2.653 10 5 EFBERM CC1(c2nc(=NC(=O)c3c(Cl)cccc3[N+](=O)[O-])s[n-]2)CC1 ZINC000600228773 478299488 /nfs/dbraw/zinc/29/94/88/478299488.db2.gz ZRQFOUWPJFCWSP-UHFFFAOYSA-N -1 0 338.776 2.825 10 5 EFBERM CON1CCC(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000597466162 478365214 /nfs/dbraw/zinc/36/52/14/478365214.db2.gz CMAFJINRZIGPQH-UHFFFAOYSA-N -1 0 343.767 2.556 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000594411604 478371600 /nfs/dbraw/zinc/37/16/00/478371600.db2.gz JRNVFVPYKMYSTO-JOYOIKCWSA-N -1 0 348.277 2.530 10 5 EFBERM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC2(CCCCC2)O1 ZINC000594414668 478372555 /nfs/dbraw/zinc/37/25/55/478372555.db2.gz KKUXRYZXMFJRDM-GFCCVEGCSA-N -1 0 334.372 2.864 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000590883949 478382962 /nfs/dbraw/zinc/38/29/62/478382962.db2.gz KZAWUBSYRHORBS-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM CC1(C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000581729252 478431645 /nfs/dbraw/zinc/43/16/45/478431645.db2.gz OPVQCQLEEQUZNE-NSHDSACASA-N -1 0 348.277 2.839 10 5 EFBERM CC[C@H](C)c1cccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000600655967 478457806 /nfs/dbraw/zinc/45/78/06/478457806.db2.gz CDNOVYCIJVTPGW-JTQLQIEISA-N -1 0 338.389 2.643 10 5 EFBERM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2COc3cccc(C)c3C2)n1 ZINC000600678076 478466454 /nfs/dbraw/zinc/46/64/54/478466454.db2.gz KPIYCJJQUBCFLB-NSHDSACASA-N -1 0 343.339 2.720 10 5 EFBERM Cn1ncc(C2CCC2)c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594694726 478498824 /nfs/dbraw/zinc/49/88/24/478498824.db2.gz CNXYDDOUFQDQLQ-WAYWQWQTSA-N -1 0 328.328 2.859 10 5 EFBERM Cc1cccc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000594736299 478521501 /nfs/dbraw/zinc/52/15/01/478521501.db2.gz PBNODNWFBZLMRT-ZJUUUORDSA-N -1 0 332.278 2.993 10 5 EFBERM O=C([O-])c1ccnc(NCc2cccc(OC3CC3)c2F)c1[N+](=O)[O-] ZINC000594736277 478521579 /nfs/dbraw/zinc/52/15/79/478521579.db2.gz NZXMXROFWPLBLA-UHFFFAOYSA-N -1 0 347.302 2.980 10 5 EFBERM CC(C)[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594745471 478527911 /nfs/dbraw/zinc/52/79/11/478527911.db2.gz RNFUYTBVSJNHDC-AWEZNQCLSA-N -1 0 335.385 2.665 10 5 EFBERM CC(C)[C@@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594748619 478528624 /nfs/dbraw/zinc/52/86/24/478528624.db2.gz NJONMRLNGVDZKB-CQSZACIVSA-N -1 0 349.412 2.708 10 5 EFBERM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594761367 478534604 /nfs/dbraw/zinc/53/46/04/478534604.db2.gz XJOVNWMITZNDHS-ZDUSSCGKSA-N -1 0 349.412 2.516 10 5 EFBERM CC1(C)C(c2cc(=NC(=O)c3cccc([O-])c3[N+](=O)[O-])[nH][nH]2)C1(C)C ZINC000597842729 478535893 /nfs/dbraw/zinc/53/58/93/478535893.db2.gz OVAYDHMSPLLCMW-UHFFFAOYSA-N -1 0 344.371 2.847 10 5 EFBERM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000600871578 478546016 /nfs/dbraw/zinc/54/60/16/478546016.db2.gz ANJOKYPAKKCBRY-PIGZYNQJSA-N -1 0 346.339 2.798 10 5 EFBERM CC1(C)CCC[C@](NC(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000600869961 478546093 /nfs/dbraw/zinc/54/60/93/478546093.db2.gz OTHZZNYJWPAUFH-QGZVFWFLSA-N -1 0 334.372 2.677 10 5 EFBERM O=C([O-])C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000600869511 478546580 /nfs/dbraw/zinc/54/65/80/478546580.db2.gz MXZNTIJZDDNDGN-CYBMUJFWSA-N -1 0 346.383 2.634 10 5 EFBERM CNc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600869450 478546713 /nfs/dbraw/zinc/54/67/13/478546713.db2.gz KNDPOVFOYWZVHL-KRWDZBQOSA-N -1 0 349.387 2.790 10 5 EFBERM C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@]1(C)C(=O)[O-] ZINC000600871638 478546900 /nfs/dbraw/zinc/54/69/00/478546900.db2.gz HAMYDFBKKWJENH-SJKOYZFVSA-N -1 0 346.383 2.586 10 5 EFBERM C[C@@](NC(=O)CC1CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876269 478549299 /nfs/dbraw/zinc/54/92/99/478549299.db2.gz PEWSHAIQMKSUET-KRWDZBQOSA-N -1 0 334.372 2.981 10 5 EFBERM C[C@](NC(=O)C1CCCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880502 478550010 /nfs/dbraw/zinc/55/00/10/478550010.db2.gz ZZCYYBHUNQBLOX-QGZVFWFLSA-N -1 0 334.372 2.981 10 5 EFBERM CC(C)CCc1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000597869397 478552890 /nfs/dbraw/zinc/55/28/90/478552890.db2.gz GMYYORQNFBURRC-UHFFFAOYSA-N -1 0 336.373 2.993 10 5 EFBERM O=C([O-])[C@H]1CCc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc21 ZINC000594874369 478570203 /nfs/dbraw/zinc/57/02/03/478570203.db2.gz HMFUZMBMLUOOJU-INIZCTEOSA-N -1 0 327.336 2.911 10 5 EFBERM O=C([O-])C1(c2cccc(-c3cc([N+](=O)[O-])ccc3CCO)c2)CC1 ZINC000594874534 478570563 /nfs/dbraw/zinc/57/05/63/478570563.db2.gz XOTIHJIOPVFFAX-UHFFFAOYSA-N -1 0 327.336 2.913 10 5 EFBERM COc1c(C(=O)[O-])sc(C)c1-c1cc([N+](=O)[O-])ccc1CCO ZINC000594874378 478570760 /nfs/dbraw/zinc/57/07/60/478570760.db2.gz IWFCYBSBVXGPRJ-UHFFFAOYSA-N -1 0 337.353 2.873 10 5 EFBERM Cc1ccc([C@H](C)NC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000563673365 478614639 /nfs/dbraw/zinc/61/46/39/478614639.db2.gz TZKJBJSCOICOBB-GWCFXTLKSA-N -1 0 335.360 2.517 10 5 EFBERM O=[N+]([O-])c1ccc(CN=c2nc(C3CCOCC3)[n-]s2)c(F)c1 ZINC000601064806 478636933 /nfs/dbraw/zinc/63/69/33/478636933.db2.gz RPDSYGATKOVOLR-UHFFFAOYSA-N -1 0 338.364 2.513 10 5 EFBERM COc1cccc(C[C@@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000563813051 478638246 /nfs/dbraw/zinc/63/82/46/478638246.db2.gz IQZRXJBAMFTMCM-SNVBAGLBSA-N -1 0 331.328 2.740 10 5 EFBERM O=C([O-])c1cc(C(=O)N2CCC(c3ccco3)CC2)cc([N+](=O)[O-])c1 ZINC000595244218 478699237 /nfs/dbraw/zinc/69/92/37/478699237.db2.gz WFTYEAXUJZAMDS-UHFFFAOYSA-N -1 0 344.323 2.906 10 5 EFBERM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCC[C@@H]12 ZINC000595245373 478700033 /nfs/dbraw/zinc/70/00/33/478700033.db2.gz NTZSPZHGHDRBPK-HBNTYKKESA-N -1 0 338.385 2.762 10 5 EFBERM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCC[C@@H]12 ZINC000595245368 478700121 /nfs/dbraw/zinc/70/01/21/478700121.db2.gz NTZSPZHGHDRBPK-AXFHLTTASA-N -1 0 338.385 2.762 10 5 EFBERM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc([O-])c1[N+](=O)[O-] ZINC000598205069 478702839 /nfs/dbraw/zinc/70/28/39/478702839.db2.gz UMCIHRRWJNOYEK-KBPBESRZSA-N -1 0 342.351 2.603 10 5 EFBERM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598205950 478704335 /nfs/dbraw/zinc/70/43/35/478704335.db2.gz CEVMVUVRIPGSQD-GJZGRUSLSA-N -1 0 342.351 2.603 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000598301614 478753543 /nfs/dbraw/zinc/75/35/43/478753543.db2.gz YYBVCVIPJOXQDO-OAHLLOKOSA-N -1 0 334.372 2.722 10 5 EFBERM CC(C)[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000598345497 478778226 /nfs/dbraw/zinc/77/82/26/478778226.db2.gz DTXLFAIWHLSWGT-IAGOWNOFSA-N -1 0 344.367 2.788 10 5 EFBERM Cc1ccc([C@@H](C)NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000592207095 478826684 /nfs/dbraw/zinc/82/66/84/478826684.db2.gz LLXHLRKATBILFU-GFCCVEGCSA-N -1 0 349.387 2.861 10 5 EFBERM Cc1csc(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 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ZINC000593914483 479507051 /nfs/dbraw/zinc/50/70/51/479507051.db2.gz CGWSEJGFNKXZLZ-AWEZNQCLSA-N -1 0 341.367 2.847 10 5 EFBERM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000593919753 479508578 /nfs/dbraw/zinc/50/85/78/479508578.db2.gz BDSLTSPQZWAFFE-CWSCBRNRSA-N -1 0 338.385 2.540 10 5 EFBERM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000593926703 479510384 /nfs/dbraw/zinc/51/03/84/479510384.db2.gz XMFWSUQKKOSPKY-LLVKDONJSA-N -1 0 326.374 2.642 10 5 EFBERM O=C([N-]c1cnoc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000604542539 479537369 /nfs/dbraw/zinc/53/73/69/479537369.db2.gz HYGZUZWHWOJJSK-UHFFFAOYSA-N -1 0 331.206 2.776 10 5 EFBERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000619542556 479823291 /nfs/dbraw/zinc/82/32/91/479823291.db2.gz BGVOOMLFUPDSDB-BXUZGUMPSA-N -1 0 337.376 2.797 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000619582660 479835514 /nfs/dbraw/zinc/83/55/14/479835514.db2.gz XMGWESJYPUUYQG-ZDUSSCGKSA-N -1 0 334.372 2.864 10 5 EFBERM Cc1sc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000619644375 479847980 /nfs/dbraw/zinc/84/79/80/479847980.db2.gz UREDQJXGNKRHEN-INIZCTEOSA-N -1 0 348.380 2.737 10 5 EFBERM COc1ccc(COCCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000614271959 480252148 /nfs/dbraw/zinc/25/21/48/480252148.db2.gz BANYRXHEBNZWCG-UHFFFAOYSA-N -1 0 346.339 2.854 10 5 EFBERM CCc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)no1 ZINC000610482737 480317447 /nfs/dbraw/zinc/31/74/47/480317447.db2.gz HDAHZXGQMBRERB-UHFFFAOYSA-N -1 0 345.764 2.908 10 5 EFBERM CC(C)C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])C(=O)[O-] ZINC000232613829 519353491 /nfs/dbraw/zinc/35/34/91/519353491.db2.gz QCRNTOZARHVYNB-MRVPVSSYSA-N -1 0 346.181 2.911 10 5 EFBERM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164678474 534438288 /nfs/dbraw/zinc/43/82/88/534438288.db2.gz ANRUACRCPOLKNF-UHFFFAOYSA-N -1 0 343.314 2.893 10 5 EFBERM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1COc2ccccc21 ZINC000152872301 525219522 /nfs/dbraw/zinc/21/95/22/525219522.db2.gz DKRDTHYMWMVLKQ-GXFFZTMASA-N -1 0 328.324 2.595 10 5 EFBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000078677260 525474250 /nfs/dbraw/zinc/47/42/50/525474250.db2.gz XIGOCEDALYZKNA-UHFFFAOYSA-N -1 0 347.352 2.886 10 5 EFBERM Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237665391 525560559 /nfs/dbraw/zinc/56/05/59/525560559.db2.gz NXKHDOZIXDAHKC-CQSZACIVSA-N -1 0 342.351 2.577 10 5 EFBERM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119037563 526020818 /nfs/dbraw/zinc/02/08/18/526020818.db2.gz WHPHRCVIOXHGPP-GTNSWQLSSA-N -1 0 342.351 2.765 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237567431 526074427 /nfs/dbraw/zinc/07/44/27/526074427.db2.gz QFDADKDAIVMLOU-CQSZACIVSA-N -1 0 342.351 2.577 10 5 EFBERM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])c([O-])c1 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ZINC001558416298 1415179016 /nfs/dbraw/zinc/17/90/16/1415179016.db2.gz KTIVGCDYIQFKLX-INIZCTEOSA-N -1 0 334.372 2.770 10 5 EFBERM C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001558759465 1415199819 /nfs/dbraw/zinc/19/98/19/1415199819.db2.gz PVCPNELVYLLDCL-VIFPVBQESA-N -1 0 335.747 2.710 10 5 EFBERM CN(Cc1n[n-]c(=O)o1)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559216657 1415231046 /nfs/dbraw/zinc/23/10/46/1415231046.db2.gz IFTXUNIBXCZMLZ-UHFFFAOYSA-N -1 0 335.707 2.521 10 5 EFBERM CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC001565897693 1415445915 /nfs/dbraw/zinc/44/59/15/1415445915.db2.gz VKACZTMSEUZUQJ-UHFFFAOYSA-N -1 0 327.340 2.787 10 5 EFBERM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1N(C)C ZINC000120126624 712944477 /nfs/dbraw/zinc/94/44/77/712944477.db2.gz UBFAZWKBXFQXKN-UHFFFAOYSA-N -1 0 341.414 2.832 10 5 EFBERM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000254939673 713123591 /nfs/dbraw/zinc/12/35/91/713123591.db2.gz PIVOBAAEJCULEW-KTKRTIGZSA-N -1 0 346.364 2.634 10 5 EFBERM Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)[O-] ZINC000262580629 724722525 /nfs/dbraw/zinc/72/25/25/724722525.db2.gz QJARCSBCNWPFDC-LURJTMIESA-N -1 0 341.370 2.610 10 5 EFBERM Cn1c(Cl)nc(Cl)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000728438870 724023956 /nfs/dbraw/zinc/02/39/56/724023956.db2.gz AUUXFSZMGATRSR-NSCUHMNNSA-N -1 0 343.126 2.899 10 5 EFBERM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129285268 727399935 /nfs/dbraw/zinc/39/99/35/727399935.db2.gz RTWIKGXKDCHDSN-UHFFFAOYSA-N -1 0 334.353 2.907 10 5 EFBERM CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000164873984 727988982 /nfs/dbraw/zinc/98/89/82/727988982.db2.gz JZPDVAGDENSEEJ-UHFFFAOYSA-N -1 0 345.764 2.908 10 5 EFBERM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000920957499 729246512 /nfs/dbraw/zinc/24/65/12/729246512.db2.gz IPHCOOBKPWGCDC-DZFYGRHCSA-N -1 0 328.324 2.838 10 5 EFBERM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cnn(CC2CCC2)c1 ZINC001647776504 1089877791 /nfs/dbraw/zinc/87/77/91/1089877791.db2.gz AKKTYOMIOWACPK-LLVKDONJSA-N -1 0 344.371 2.788 10 5 EFBERM O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1[O-] ZINC001647993956 1089925623 /nfs/dbraw/zinc/92/56/23/1089925623.db2.gz DTYRIXKTMLSVKW-ZDUSSCGKSA-N -1 0 341.323 2.504 10 5 EFBERM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1[O-] ZINC001647993955 1089925855 /nfs/dbraw/zinc/92/58/55/1089925855.db2.gz DTYRIXKTMLSVKW-CYBMUJFWSA-N -1 0 341.323 2.504 10 5 EFBERM Cc1cc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cc([N+](=O)[O-])c1 ZINC001648036434 1089933981 /nfs/dbraw/zinc/93/39/81/1089933981.db2.gz HCUXBFQBAVPTDJ-NSHDSACASA-N -1 0 347.293 2.545 10 5 EFBERM O=C(NCCc1nsc2ccccc12)c1ccc([N+](=O)[O-])cc1[O-] ZINC001585676156 1092542661 /nfs/dbraw/zinc/54/26/61/1092542661.db2.gz KOOFCWDAWUTFKM-UHFFFAOYSA-N -1 0 343.364 2.883 10 5 EFBERM COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C ZINC001586084537 1092676781 /nfs/dbraw/zinc/67/67/81/1092676781.db2.gz GBZCTTVYPKGTBH-UHFFFAOYSA-N -1 0 336.325 2.709 10 5 EFBERM Cc1cccc(O[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001586408033 1092732804 /nfs/dbraw/zinc/73/28/04/1092732804.db2.gz RUSICRIAHLQGGV-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM O=C([O-])c1cc(N2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000404403728 1093301139 /nfs/dbraw/zinc/30/11/39/1093301139.db2.gz KSXWBJDLSFYBBU-UHFFFAOYSA-N -1 0 327.134 2.782 10 5 EFBERM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001595779776 1094493052 /nfs/dbraw/zinc/49/30/52/1094493052.db2.gz RBCBZUKVCXUUFM-HIFRSBDPSA-N -1 0 332.287 2.502 10 5 EFBERM COc1cc(C(=O)[N-]c2nc(C(C)C)ns2)c([N+](=O)[O-])cc1F ZINC001597152139 1094567204 /nfs/dbraw/zinc/56/72/04/1094567204.db2.gz OBDCAIPZBZGJMA-UHFFFAOYSA-N -1 0 340.336 2.970 10 5 EFBERM COc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1OC ZINC001597155357 1094569593 /nfs/dbraw/zinc/56/95/93/1094569593.db2.gz YTNMAFLFAPQXHT-UHFFFAOYSA-N -1 0 346.339 2.556 10 5 EFBERM CCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001597611461 1094605130 /nfs/dbraw/zinc/60/51/30/1094605130.db2.gz PFRDIXIHOZINMR-NSHDSACASA-N -1 0 327.768 2.767 10 5 EFBERM O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001610896610 1098960946 /nfs/dbraw/zinc/96/09/46/1098960946.db2.gz XMHDOFGGUZLKEF-LDYMZIIASA-N -1 0 334.250 2.739 10 5 EFBERM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001610895303 1098961431 /nfs/dbraw/zinc/96/14/31/1098961431.db2.gz IDTGKZLOJVUNMF-UHFFFAOYSA-N -1 0 349.274 2.919 10 5 EFBERM COc1ccc(-c2cc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])on2)cc1 ZINC001612592288 1099069003 /nfs/dbraw/zinc/06/90/03/1099069003.db2.gz YRHTXPQDVDBHRL-UHFFFAOYSA-N -1 0 342.311 2.971 10 5 EFBERM CN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001623571412 1099603100 /nfs/dbraw/zinc/60/31/00/1099603100.db2.gz QRODYLCDQCDFNM-UHFFFAOYSA-N -1 0 349.774 2.820 10 5 EFBERM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001623662898 1099612687 /nfs/dbraw/zinc/61/26/87/1099612687.db2.gz CECWSEXBMOWADA-JOYOIKCWSA-N -1 0 336.369 2.604 10 5 EFBERM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001623959735 1099646148 /nfs/dbraw/zinc/64/61/48/1099646148.db2.gz WKPPHSIOGIQFNH-RKDXNWHRSA-N -1 0 327.768 2.765 10 5 EFBERM O=C(NC1(Cc2ccc(F)cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001624174880 1099669910 /nfs/dbraw/zinc/66/99/10/1099669910.db2.gz YGTHCAFZHMPQIO-UHFFFAOYSA-N -1 0 330.315 2.945 10 5 EFBERM CCOC(=O)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001624547454 1099704648 /nfs/dbraw/zinc/70/46/48/1099704648.db2.gz YLIXPVBWVOYPIC-OAHLLOKOSA-N -1 0 344.323 2.586 10 5 EFBERM O=C(NCCOc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC001626349314 1099863330 /nfs/dbraw/zinc/86/33/30/1099863330.db2.gz QAHUMFBXTQNMIR-UHFFFAOYSA-N -1 0 342.351 2.598 10 5 EFBERM C[C@H](COc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001626444820 1099875868 /nfs/dbraw/zinc/87/58/68/1099875868.db2.gz GZEBGERMGQLMPX-SNVBAGLBSA-N -1 0 334.303 2.637 10 5 EFBERM O=C(NC[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001628319372 1100089011 /nfs/dbraw/zinc/08/90/11/1100089011.db2.gz FTIKEPKJYOBXLP-SNVBAGLBSA-N -1 0 330.365 2.920 10 5 EFBERM CO[C@@]1(C)C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC001628721721 1100127730 /nfs/dbraw/zinc/12/77/30/1100127730.db2.gz FRCIKGUTHJYERK-ABAIWWIYSA-N -1 0 342.779 2.887 10 5 EFBERM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C12CCCC2 ZINC001629126660 1100170826 /nfs/dbraw/zinc/17/08/26/1100170826.db2.gz XYJAROQHAMWYLL-LSDHHAIUSA-N -1 0 334.372 2.768 10 5 EFBERM CC(C)c1[nH]nc(C(=O)Nc2ccc(F)c(F)c2[O-])c1[N+](=O)[O-] ZINC001629408797 1100207792 /nfs/dbraw/zinc/20/77/92/1100207792.db2.gz MITQUCQNIRSCQS-UHFFFAOYSA-N -1 0 326.259 2.677 10 5 EFBERM O=C(NCc1ccc2c(c1)COC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001629977946 1100263888 /nfs/dbraw/zinc/26/38/88/1100263888.db2.gz MZNNGRAQWLHEKI-UHFFFAOYSA-N -1 0 348.742 2.914 10 5 EFBERM COc1ccc(Br)cc1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001630340342 1100296352 /nfs/dbraw/zinc/29/63/52/1100296352.db2.gz PCUWPCGECSSASJ-UHFFFAOYSA-N -1 0 341.117 2.913 10 5 EFBERM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC001631889882 1100436917 /nfs/dbraw/zinc/43/69/17/1100436917.db2.gz UXMOCKURIHXUDA-UHFFFAOYSA-N -1 0 335.247 2.908 10 5 EFBERM O=C(NCc1noc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001632394721 1100471166 /nfs/dbraw/zinc/47/11/66/1100471166.db2.gz QYHHJQLHQRMBKG-UHFFFAOYSA-N -1 0 331.259 2.511 10 5 EFBERM O=C(NCCc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[O-] ZINC001632453831 1100475132 /nfs/dbraw/zinc/47/51/32/1100475132.db2.gz BQQIMOJPAOLVSC-UHFFFAOYSA-N -1 0 337.335 2.821 10 5 EFBERM O=C(Nc1cccc2c1OCO2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001632760616 1100499803 /nfs/dbraw/zinc/49/98/03/1100499803.db2.gz JJVGXCZYZVYZCP-UHFFFAOYSA-N -1 0 336.687 2.935 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001632952539 1100510193 /nfs/dbraw/zinc/51/01/93/1100510193.db2.gz FTSZCFBXDNUHLR-HNNXBMFYSA-N -1 0 346.314 2.653 10 5 EFBERM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc([N+](=O)[O-])cc1[O-] ZINC001632944222 1100510935 /nfs/dbraw/zinc/51/09/35/1100510935.db2.gz SKXJNRXARVUFSU-UHFFFAOYSA-N -1 0 329.268 2.615 10 5 EFBERM COc1ccc(C[C@@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC001635351282 1100656751 /nfs/dbraw/zinc/65/67/51/1100656751.db2.gz YGRLMRBGOQXNNY-ZDUSSCGKSA-N -1 0 342.351 2.766 10 5 EFBERM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1[N+](=O)[O-] ZINC001636284129 1100711282 /nfs/dbraw/zinc/71/12/82/1100711282.db2.gz JNHCUFLCACWVMA-SNVBAGLBSA-N -1 0 345.311 2.742 10 5 EFBERM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cccc([N+](=O)[O-])c1[O-] ZINC001636555190 1100726326 /nfs/dbraw/zinc/72/63/26/1100726326.db2.gz XRZNCOXNBRAFSY-UHFFFAOYSA-N -1 0 325.280 2.807 10 5 EFBERM CS(C)(=O)=Nc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001636794403 1100738514 /nfs/dbraw/zinc/73/85/14/1100738514.db2.gz DREKIGLTVUPUHP-UHFFFAOYSA-N -1 0 349.368 2.912 10 5 EFBERM COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC001637245379 1100767220 /nfs/dbraw/zinc/76/72/20/1100767220.db2.gz IWNKOKBRGBRGOF-OAHLLOKOSA-N -1 0 343.339 2.681 10 5 EFBERM CC(C)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001637275969 1100769574 /nfs/dbraw/zinc/76/95/74/1100769574.db2.gz XYKPTRNRUPFBRH-LLVKDONJSA-N -1 0 327.768 2.765 10 5 EFBERM COc1cc(F)cc(C[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001637812509 1100807768 /nfs/dbraw/zinc/80/77/68/1100807768.db2.gz GESCHZYVMPFNIW-JTQLQIEISA-N -1 0 348.330 2.809 10 5 EFBERM Nc1cc(F)c(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001637885917 1100813808 /nfs/dbraw/zinc/81/38/08/1100813808.db2.gz VDGBQEGVKPASIA-UHFFFAOYSA-N -1 0 325.683 2.927 10 5 EFBERM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC001638254978 1100844253 /nfs/dbraw/zinc/84/42/53/1100844253.db2.gz 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O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001640646510 1101068825 /nfs/dbraw/zinc/06/88/25/1101068825.db2.gz DGUFWYVJOOVELU-ZIAGYGMSSA-N -1 0 326.352 2.909 10 5 EFBERM COc1ccccc1C([O-])=CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001640724323 1101074533 /nfs/dbraw/zinc/07/45/33/1101074533.db2.gz ISQKTCYGICACNZ-UHFFFAOYSA-N -1 0 349.364 2.568 10 5 EFBERM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001640743567 1101075322 /nfs/dbraw/zinc/07/53/22/1101075322.db2.gz JKUPJGSVAVVKDX-UONOGXRCSA-N -1 0 328.324 2.595 10 5 EFBERM O=C(NCc1ccnc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001641008201 1101094689 /nfs/dbraw/zinc/09/46/89/1101094689.db2.gz IGOZGEOAIAWNRV-UHFFFAOYSA-N -1 0 341.245 2.644 10 5 EFBERM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001641074077 1101100304 /nfs/dbraw/zinc/10/03/04/1101100304.db2.gz WTJHJXOJROEKIS-ARFHVFGLSA-N -1 0 328.299 2.508 10 5 EFBERM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1Br ZINC001641126974 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CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349143909 146058397 /nfs/dbraw/zinc/05/83/97/146058397.db2.gz QXMNXVYFOINDSN-UHFFFAOYSA-N -1 0 330.340 2.971 10 5 EFBERM Cc1cccc(C)c1OCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351455056 146124835 /nfs/dbraw/zinc/12/48/35/146124835.db2.gz TYOCZCHHVGUVMS-UHFFFAOYSA-N -1 0 330.340 2.726 10 5 EFBERM CCCc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n[nH]1 ZINC000351608409 146158143 /nfs/dbraw/zinc/15/81/43/146158143.db2.gz HFHRWCHREKMHIF-UHFFFAOYSA-N -1 0 338.389 2.688 10 5 EFBERM COc1cccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000352918553 146348633 /nfs/dbraw/zinc/34/86/33/146348633.db2.gz WONGJZPNZWYSGQ-LLVKDONJSA-N -1 0 330.340 2.670 10 5 EFBERM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355853735 147082324 /nfs/dbraw/zinc/08/23/24/147082324.db2.gz NTSPWLWOZJBMIS-CQSZACIVSA-N -1 0 346.314 2.865 10 5 EFBERM CC(=O)N(C)c1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356585114 147283533 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342.351 2.765 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000364395229 149141102 /nfs/dbraw/zinc/14/11/02/149141102.db2.gz SMJJQKSLJSTIBR-CQSZACIVSA-N -1 0 328.324 2.594 10 5 EFBERM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000368623292 150166280 /nfs/dbraw/zinc/16/62/80/150166280.db2.gz JVBYTVKDTUBDEV-PBHICJAKSA-N -1 0 342.351 2.951 10 5 EFBERM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)C1CCCCC1 ZINC000166187638 533683417 /nfs/dbraw/zinc/68/34/17/533683417.db2.gz VGPDJQRGEBWMJH-LLVKDONJSA-N -1 0 349.387 2.714 10 5 EFBERM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000191798411 265276933 /nfs/dbraw/zinc/27/69/33/265276933.db2.gz NXODNLAVLKQVAO-UHFFFAOYSA-N -1 0 340.332 2.857 10 5 EFBERM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272587640 266316017 /nfs/dbraw/zinc/31/60/17/266316017.db2.gz VDQFKIJATNMESU-PXAZEXFGSA-N -1 0 342.351 2.903 10 5 EFBERM COc1c(C)cnc(CN(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])c1C ZINC000280839003 273372466 /nfs/dbraw/zinc/37/24/66/273372466.db2.gz USNUORDDESRLGE-UHFFFAOYSA-N -1 0 345.355 2.593 10 5 EFBERM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119256997 292903534 /nfs/dbraw/zinc/90/35/34/292903534.db2.gz MRHRYCAZDKPTAT-NSHDSACASA-N -1 0 330.340 2.709 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccnc(OCC(F)F)c1 ZINC000155997269 293494930 /nfs/dbraw/zinc/49/49/30/293494930.db2.gz SQHKIRUDSDHPEI-UHFFFAOYSA-N -1 0 339.254 2.592 10 5 EFBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000290930712 294223403 /nfs/dbraw/zinc/22/34/03/294223403.db2.gz JULGMBGDXXVAIB-UHFFFAOYSA-N -1 0 349.368 2.677 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295161694 295276679 /nfs/dbraw/zinc/27/66/79/295276679.db2.gz DPVKVPKQDHCHPS-UHFFFAOYSA-N -1 0 333.369 2.976 10 5 EFBERM COc1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295166195 295277269 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O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000577912077 320155823 /nfs/dbraw/zinc/15/58/23/320155823.db2.gz JVESYCUAKFUQCY-UHFFFAOYSA-N -1 0 345.330 2.796 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccccc21 ZINC000183908282 323350256 /nfs/dbraw/zinc/35/02/56/323350256.db2.gz HBKMAHHKCZOMJI-UHFFFAOYSA-N -1 0 325.280 2.807 10 5 EFBERM CO[C@H]1C[C@H](CC(=O)[O-])N(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000580718073 324221616 /nfs/dbraw/zinc/22/16/16/324221616.db2.gz ONUMJCXOXOTVJB-NEPJUHHUSA-N -1 0 345.355 2.520 10 5 EFBERM Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000582179175 324538526 /nfs/dbraw/zinc/53/85/26/324538526.db2.gz NODQXGFNXUSFQC-OSMZGAPFSA-N -1 0 349.387 2.716 10 5 EFBERM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)n1 ZINC000583266052 324775826 /nfs/dbraw/zinc/77/58/26/324775826.db2.gz ZNSXHWAIUIJTNW-LBPRGKRZSA-N -1 0 349.368 2.636 10 5 EFBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1C 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COc1ccc2c(ccn2CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000166191577 473523274 /nfs/dbraw/zinc/52/32/74/473523274.db2.gz GHYUFGQDIWVCBF-UHFFFAOYSA-N -1 0 341.323 2.902 10 5 EFBERM O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(CC3)c3ccccc32)ccc1[O-] ZINC000170635327 473571336 /nfs/dbraw/zinc/57/13/36/473571336.db2.gz FTGQXIXOASSAJH-UHFFFAOYSA-N -1 0 346.364 2.541 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000281384511 473700136 /nfs/dbraw/zinc/70/01/36/473700136.db2.gz XLTJWHBMKOKANO-YPMHNXCESA-N -1 0 332.356 2.664 10 5 EFBERM Cc1nc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000263543902 473772444 /nfs/dbraw/zinc/77/24/44/473772444.db2.gz SDXLQJBQTXPRFM-SECBINFHSA-N -1 0 349.368 2.857 10 5 EFBERM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1cccs1 ZINC000173446029 473841582 /nfs/dbraw/zinc/84/15/82/473841582.db2.gz LXMFWRWZCOKKCH-SECBINFHSA-N -1 0 346.455 2.875 10 5 EFBERM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000194656233 473933973 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EFBERM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000337169606 474754427 /nfs/dbraw/zinc/75/44/27/474754427.db2.gz DPPLLEHDWLVRNW-UHFFFAOYSA-N -1 0 326.330 2.696 10 5 EFBERM C[C@@]1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])OCCc2sccc21 ZINC000291983211 474786506 /nfs/dbraw/zinc/78/65/06/474786506.db2.gz VLEGOEDTPJGIMR-INIZCTEOSA-N -1 0 348.380 2.580 10 5 EFBERM Cc1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C2CC2)n1 ZINC000337277767 474852011 /nfs/dbraw/zinc/85/20/11/474852011.db2.gz HANDBECHZCYVMC-UHFFFAOYSA-N -1 0 348.384 2.680 10 5 EFBERM C[C@H](F)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000339031587 474857821 /nfs/dbraw/zinc/85/78/21/474857821.db2.gz DTKRXICUVGLIQO-LURJTMIESA-N -1 0 345.179 2.928 10 5 EFBERM CC(C)C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000317257189 474887669 /nfs/dbraw/zinc/88/76/69/474887669.db2.gz QJZNAMRAMDSYQF-VIFPVBQESA-N -1 0 328.752 2.725 10 5 EFBERM C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000339073962 474901339 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2.697 10 5 EFBERM O=C(Nc1ccc(N2CCCC2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269112622 475176615 /nfs/dbraw/zinc/17/66/15/475176615.db2.gz DRRMBJGKKTWBGI-UHFFFAOYSA-N -1 0 328.328 2.548 10 5 EFBERM O=C(NCCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000337644479 475208482 /nfs/dbraw/zinc/20/84/82/475208482.db2.gz GQHXRXOFAQVKGR-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM CN(CCOc1ccc(F)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000358002955 475326031 /nfs/dbraw/zinc/32/60/31/475326031.db2.gz HYSXXKIBOSKLBT-UHFFFAOYSA-N -1 0 334.303 2.591 10 5 EFBERM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000345720084 475393185 /nfs/dbraw/zinc/39/31/85/475393185.db2.gz LZAIMAICGUDYHX-NSHDSACASA-N -1 0 340.323 2.601 10 5 EFBERM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000345728964 475401277 /nfs/dbraw/zinc/40/12/77/475401277.db2.gz WNWVRHIKKLEWDA-QMMMGPOBSA-N -1 0 332.325 2.522 10 5 EFBERM O=C(NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345743546 475413141 /nfs/dbraw/zinc/41/31/41/475413141.db2.gz XDNTZYNAVHICMQ-UHFFFAOYSA-N -1 0 333.319 2.672 10 5 EFBERM COc1ccc2c(c1)CCN2C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000345826339 475486735 /nfs/dbraw/zinc/48/67/35/475486735.db2.gz SNPHDMIOCKBMMO-UHFFFAOYSA-N -1 0 342.307 2.505 10 5 EFBERM COc1cc(OC)cc(N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000355034743 475612375 /nfs/dbraw/zinc/61/23/75/475612375.db2.gz SIHVMINVCHDMGF-UHFFFAOYSA-N -1 0 332.312 2.594 10 5 EFBERM C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000343033709 475710220 /nfs/dbraw/zinc/71/02/20/475710220.db2.gz PQJYKBCBQDMFLH-LBPRGKRZSA-N -1 0 329.356 2.555 10 5 EFBERM C[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000343033708 475711311 /nfs/dbraw/zinc/71/13/11/475711311.db2.gz PQJYKBCBQDMFLH-GFCCVEGCSA-N -1 0 329.356 2.555 10 5 EFBERM Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343071802 475742900 /nfs/dbraw/zinc/74/29/00/475742900.db2.gz NQMFZWUHIYLOIW-UHFFFAOYSA-N -1 0 340.295 2.911 10 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475939199 /nfs/dbraw/zinc/93/91/99/475939199.db2.gz CUDYQDPNAJYTIL-NSHDSACASA-N -1 0 346.339 2.853 10 5 EFBERM Cc1cccc(O[C@@H](C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000353491965 476016220 /nfs/dbraw/zinc/01/62/20/476016220.db2.gz LXIMDPJXLMDHDL-LBPRGKRZSA-N -1 0 330.340 2.806 10 5 EFBERM CCCc1nc(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s[n-]1 ZINC000338772241 476175099 /nfs/dbraw/zinc/17/50/99/476175099.db2.gz YXAYAYLDASEAES-UHFFFAOYSA-N -1 0 331.357 2.554 10 5 EFBERM CSc1cccc(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1[N+](=O)[O-] ZINC000362422784 476235050 /nfs/dbraw/zinc/23/50/50/476235050.db2.gz YSXSMNAXMHBMGW-UHFFFAOYSA-N -1 0 346.290 2.733 10 5 EFBERM O=C(NCCc1cc(F)c(F)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357117957 476244074 /nfs/dbraw/zinc/24/40/74/476244074.db2.gz POTUHFRNRGIRHH-UHFFFAOYSA-N -1 0 340.257 2.690 10 5 EFBERM O=C(NCCc1nc2ccccc2s1)c1cccc([O-])c1[N+](=O)[O-] ZINC000357359494 476344736 /nfs/dbraw/zinc/34/47/36/476344736.db2.gz VOEMRKCUDBDRLU-UHFFFAOYSA-N -1 0 343.364 2.883 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2F)C1 ZINC000365599455 476641618 /nfs/dbraw/zinc/64/16/18/476641618.db2.gz DOGYFLIGURHGAC-NSHDSACASA-N -1 0 345.330 2.905 10 5 EFBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000365602815 476642251 /nfs/dbraw/zinc/64/22/51/476642251.db2.gz OVQRWWWAKYIYKQ-DXVIDONBSA-N -1 0 326.736 2.707 10 5 EFBERM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000365654465 476664489 /nfs/dbraw/zinc/66/44/89/476664489.db2.gz QOKCCVQECMDFDC-RHSMWYFYSA-N -1 0 342.351 2.951 10 5 EFBERM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375896162 477067642 /nfs/dbraw/zinc/06/76/42/477067642.db2.gz UHDBJGKCOXSHOM-AWEZNQCLSA-N -1 0 344.323 2.563 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000376012419 477130751 /nfs/dbraw/zinc/13/07/51/477130751.db2.gz ZAQIUYIPOPSBDW-STQMWFEESA-N -1 0 334.372 2.579 10 5 EFBERM Cc1nc2c(s1)[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000376076177 477163616 /nfs/dbraw/zinc/16/36/16/477163616.db2.gz ODZPSCWOXFHSOG-LBPRGKRZSA-N -1 0 333.369 2.873 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000376121825 477184962 /nfs/dbraw/zinc/18/49/62/477184962.db2.gz BFMBCBAFIPWHFQ-UHFFFAOYSA-N -1 0 348.305 2.893 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000376124036 477186355 /nfs/dbraw/zinc/18/63/55/477186355.db2.gz YNBHAXWWILHCFM-UHFFFAOYSA-N -1 0 327.340 2.715 10 5 EFBERM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000371435368 477318440 /nfs/dbraw/zinc/31/84/40/477318440.db2.gz VLLGIMVLKXSYMA-RHSMWYFYSA-N -1 0 342.351 2.808 10 5 EFBERM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000371435372 477318518 /nfs/dbraw/zinc/31/85/18/477318518.db2.gz VLLGIMVLKXSYMA-YOEHRIQHSA-N -1 0 342.351 2.808 10 5 EFBERM O=C(N[C@H]1CCCOc2ccccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000376670010 477453314 /nfs/dbraw/zinc/45/33/14/477453314.db2.gz FIESMKWXUSZCAO-ZDUSSCGKSA-N -1 0 328.324 2.944 10 5 EFBERM O=C(NCCc1cccc2[nH]ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436515060 477499886 /nfs/dbraw/zinc/49/98/86/477499886.db2.gz UDSRWQTXDFTDJU-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436690517 477559666 /nfs/dbraw/zinc/55/96/66/477559666.db2.gz YYMQVHXPERKVQW-ZDUSSCGKSA-N -1 0 346.314 2.865 10 5 EFBERM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436778115 477587099 /nfs/dbraw/zinc/58/70/99/477587099.db2.gz FQFALBUNJUQRRE-RHSMWYFYSA-N -1 0 342.351 2.951 10 5 EFBERM COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000436795467 477592449 /nfs/dbraw/zinc/59/24/49/477592449.db2.gz RDKMWVAEGUZWGC-UHFFFAOYSA-N -1 0 348.286 2.787 10 5 EFBERM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870676 477620387 /nfs/dbraw/zinc/62/03/87/477620387.db2.gz HVJZQHBRWOSEEI-SECBINFHSA-N -1 0 334.303 2.939 10 5 EFBERM CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436913671 477633678 /nfs/dbraw/zinc/63/36/78/477633678.db2.gz JKAIPEIIEIAUOY-UHFFFAOYSA-N -1 0 330.340 2.672 10 5 EFBERM COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000436946870 477645683 /nfs/dbraw/zinc/64/56/83/477645683.db2.gz XZFGRQVYZWXZTF-UHFFFAOYSA-N -1 0 332.312 2.878 10 5 EFBERM COc1cc2c(cc1F)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000436958044 477647531 /nfs/dbraw/zinc/64/75/31/477647531.db2.gz CRVDNPUHGQAMFT-UHFFFAOYSA-N -1 0 346.314 2.647 10 5 EFBERM COc1cccc2c1CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000428094640 477818716 /nfs/dbraw/zinc/81/87/16/477818716.db2.gz VSGVIBXNDKBCTO-UHFFFAOYSA-N -1 0 342.351 2.550 10 5 EFBERM COc1ccccc1-c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2C)o1 ZINC000428340817 477873104 /nfs/dbraw/zinc/87/31/04/477873104.db2.gz LNBKEQWVPVWKTH-UHFFFAOYSA-N -1 0 340.339 2.996 10 5 EFBERM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462428148 477902523 /nfs/dbraw/zinc/90/25/23/477902523.db2.gz MIRZKQIHZCVPSI-NKWVEPMBSA-N -1 0 339.200 2.836 10 5 EFBERM CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600227129 478296825 /nfs/dbraw/zinc/29/68/25/478296825.db2.gz JYTGOTUEYZZDEK-UHFFFAOYSA-N -1 0 348.384 2.571 10 5 EFBERM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600301792 478329632 /nfs/dbraw/zinc/32/96/32/478329632.db2.gz LIOUYUOLWAEDOI-OAHLLOKOSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000594405865 478367418 /nfs/dbraw/zinc/36/74/18/478367418.db2.gz AWTKYXLCOMLHES-NWDGAFQWSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594410991 478370161 /nfs/dbraw/zinc/37/01/61/478370161.db2.gz FPOMFSBURYDTMO-BXKDBHETSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000594411934 478371651 /nfs/dbraw/zinc/37/16/51/478371651.db2.gz LRCBRIWDAOGKLK-LDYMZIIASA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000594411895 478371903 /nfs/dbraw/zinc/37/19/03/478371903.db2.gz LGHCKZNHCAFHRH-SKDRFNHKSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000594411890 478371972 /nfs/dbraw/zinc/37/19/72/478371972.db2.gz LGHCKZNHCAFHRH-BXKDBHETSA-N -1 0 348.277 2.530 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000581548266 478385535 /nfs/dbraw/zinc/38/55/35/478385535.db2.gz ARFSGLLTYLOTBM-GWCFXTLKSA-N -1 0 335.360 2.732 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000581548268 478385552 /nfs/dbraw/zinc/38/55/52/478385552.db2.gz ARFSGLLTYLOTBM-MFKMUULPSA-N -1 0 335.360 2.732 10 5 EFBERM Cc1sc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-] ZINC000594462720 478398355 /nfs/dbraw/zinc/39/83/55/478398355.db2.gz PHUSGJXWPQQOOS-FKTZTGRPSA-N -1 0 340.401 2.830 10 5 EFBERM CCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000600669805 478460783 /nfs/dbraw/zinc/46/07/83/478460783.db2.gz GBRKRIFUVZUCPR-UHFFFAOYSA-N -1 0 338.389 2.537 10 5 EFBERM CCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000600670209 478461328 /nfs/dbraw/zinc/46/13/28/478461328.db2.gz NJNVFAHPNHBHLW-UHFFFAOYSA-N -1 0 338.389 2.537 10 5 EFBERM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2COc3cccc(C)c3C2)n1 ZINC000600678075 478465919 /nfs/dbraw/zinc/46/59/19/478465919.db2.gz KPIYCJJQUBCFLB-LLVKDONJSA-N -1 0 343.339 2.720 10 5 EFBERM C[N@@H+]1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570970586 478492784 /nfs/dbraw/zinc/49/27/84/478492784.db2.gz XJVMNYBHKUIBFT-KBPBESRZSA-N -1 0 342.355 2.545 10 5 EFBERM Cc1ccnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000594729258 478516807 /nfs/dbraw/zinc/51/68/07/478516807.db2.gz LFDYLPIWWIJYFS-UHFFFAOYSA-N -1 0 333.369 2.976 10 5 EFBERM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594751997 478530221 /nfs/dbraw/zinc/53/02/21/478530221.db2.gz FLXHFZMLSXWAAL-UHFFFAOYSA-N -1 0 349.412 2.680 10 5 EFBERM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758800 478532873 /nfs/dbraw/zinc/53/28/73/478532873.db2.gz FGGOCCRHTCHTMN-VXGBXAGGSA-N -1 0 327.406 2.627 10 5 EFBERM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759652 478533160 /nfs/dbraw/zinc/53/31/60/478533160.db2.gz MDOSSRRTVNOMEJ-AWEZNQCLSA-N -1 0 349.412 2.680 10 5 EFBERM CCC1(NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594761625 478534251 /nfs/dbraw/zinc/53/42/51/478534251.db2.gz RDWDBWXCKMQRLE-UHFFFAOYSA-N -1 0 335.385 2.754 10 5 EFBERM CC(C)(CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC000600867608 478545494 /nfs/dbraw/zinc/54/54/94/478545494.db2.gz BOONSSJPELFHDZ-UHFFFAOYSA-N -1 0 334.372 2.634 10 5 EFBERM Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)oc1C(=O)[O-] ZINC000600870771 478546135 /nfs/dbraw/zinc/54/61/35/478546135.db2.gz ZYGVCYLKSWLTIW-UHFFFAOYSA-N -1 0 344.323 2.999 10 5 EFBERM CC(C)c1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC000600872094 478546629 /nfs/dbraw/zinc/54/66/29/478546629.db2.gz HIKJYAREQISXAY-UHFFFAOYSA-N -1 0 332.356 2.940 10 5 EFBERM C[C@](NC(=O)[C@@H]1C[C@H]1C1CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872524 478546721 /nfs/dbraw/zinc/54/67/21/478546721.db2.gz CWMYQUQRYYFEGX-HDMKZQKVSA-N -1 0 346.383 2.837 10 5 EFBERM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000600871576 478546807 /nfs/dbraw/zinc/54/68/07/478546807.db2.gz ANJOKYPAKKCBRY-DIFFPNOSSA-N -1 0 346.339 2.798 10 5 EFBERM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000600871574 478546933 /nfs/dbraw/zinc/54/69/33/478546933.db2.gz ANJOKYPAKKCBRY-APPDUMDISA-N -1 0 346.339 2.798 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000600874098 478547218 /nfs/dbraw/zinc/54/72/18/478547218.db2.gz ICNQJRLCSNIWNZ-KCQAQPDRSA-N -1 0 346.383 2.927 10 5 EFBERM Cc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600873835 478547515 /nfs/dbraw/zinc/54/75/15/478547515.db2.gz FIPQPSOBXCSRSB-AWEZNQCLSA-N -1 0 334.372 2.914 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000600874771 478548149 /nfs/dbraw/zinc/54/81/49/478548149.db2.gz IKPJCPLCVMMRDL-OAHLLOKOSA-N -1 0 334.372 2.914 10 5 EFBERM CNc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000600875385 478548992 /nfs/dbraw/zinc/54/89/92/478548992.db2.gz JMTZKBQNIHNQDN-ZDUSSCGKSA-N -1 0 349.387 2.647 10 5 EFBERM Cc1cc(C)c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC000600875764 478549188 /nfs/dbraw/zinc/54/91/88/478549188.db2.gz MYQIQIPGLAFGJD-MRXNPFEDSA-N -1 0 332.312 2.534 10 5 EFBERM Cc1ccc([C@H](C)NC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000563673384 478614226 /nfs/dbraw/zinc/61/42/26/478614226.db2.gz TZKJBJSCOICOBB-GXFFZTMASA-N -1 0 335.360 2.517 10 5 EFBERM Cc1ccc(CN=c2nc(C3CCOCC3)[n-]s2)cc1[N+](=O)[O-] ZINC000601065100 478636990 /nfs/dbraw/zinc/63/69/90/478636990.db2.gz VKUPVLBWSSAWOV-UHFFFAOYSA-N -1 0 334.401 2.683 10 5 EFBERM C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595243170 478699547 /nfs/dbraw/zinc/69/95/47/478699547.db2.gz DHGLTZIRUQROHW-NSHDSACASA-N -1 0 332.356 2.807 10 5 EFBERM Cc1cc(N2CCO[C@H](CC(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595280408 478711913 /nfs/dbraw/zinc/71/19/13/478711913.db2.gz GSCVSYGKFRLIJI-SECBINFHSA-N -1 0 348.277 2.759 10 5 EFBERM Cc1ccnc([C@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000571940808 478712325 /nfs/dbraw/zinc/71/23/25/478712325.db2.gz YJYSTXYBKFHSFM-LBPRGKRZSA-N -1 0 327.340 2.634 10 5 EFBERM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595359230 478747466 /nfs/dbraw/zinc/74/74/66/478747466.db2.gz IUWQAXZHJNKDNF-WHXUTIOJSA-N -1 0 348.371 2.929 10 5 EFBERM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)F ZINC000592067797 478762164 /nfs/dbraw/zinc/76/21/64/478762164.db2.gz RGJJDMMOOPORKT-SSDOTTSWSA-N -1 0 342.751 2.818 10 5 EFBERM CC(C)[C@H](O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598345137 478778764 /nfs/dbraw/zinc/77/87/64/478778764.db2.gz BGOYVTPMSFZFSA-SJORKVTESA-N -1 0 344.367 2.788 10 5 EFBERM CC(C)[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000598345498 478778803 /nfs/dbraw/zinc/77/88/03/478778803.db2.gz DTXLFAIWHLSWGT-IRXDYDNUSA-N -1 0 344.367 2.788 10 5 EFBERM Cc1ccccc1CC1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598379595 478796347 /nfs/dbraw/zinc/79/63/47/478796347.db2.gz AALQKZNTVBPCER-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM CO[C@@H](C)c1nc(=NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s[n-]1 ZINC000572516901 478857781 /nfs/dbraw/zinc/85/77/81/478857781.db2.gz RESHDDYEMPHXEJ-VIFPVBQESA-N -1 0 347.400 2.712 10 5 EFBERM Cc1cc(NCC2(C(=O)[O-])CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000592419008 478888847 /nfs/dbraw/zinc/88/88/47/478888847.db2.gz HUJDAUJSHGUNFE-UHFFFAOYSA-N -1 0 345.355 2.745 10 5 EFBERM COC(=O)c1cc(NC[C@@H](C(=O)[O-])C2CCC2)cc(C)c1[N+](=O)[O-] ZINC000595977951 479087996 /nfs/dbraw/zinc/08/79/96/479087996.db2.gz PPSYJTUBSGXVSR-CYBMUJFWSA-N -1 0 336.344 2.603 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596003368 479090830 /nfs/dbraw/zinc/09/08/30/479090830.db2.gz RIMDOXZIYXOWRN-ZDUSSCGKSA-N -1 0 334.372 2.751 10 5 EFBERM Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592949166 479106344 /nfs/dbraw/zinc/10/63/44/479106344.db2.gz HJXIXWQXGDSZGH-UHFFFAOYSA-N -1 0 338.751 2.783 10 5 EFBERM CCc1nn(C)c(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC000592980416 479115062 /nfs/dbraw/zinc/11/50/62/479115062.db2.gz CGHOAYTUASSYNH-AAEUAGOBSA-N -1 0 330.344 2.616 10 5 EFBERM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)n1 ZINC000592980171 479115195 /nfs/dbraw/zinc/11/51/95/479115195.db2.gz HVVPEZOGROWQMH-PBYNLASCSA-N -1 0 329.356 2.645 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000592981037 479115346 /nfs/dbraw/zinc/11/53/46/479115346.db2.gz VCPNGGVOBRSLIQ-CQSZACIVSA-N -1 0 327.340 2.795 10 5 EFBERM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593051823 479144960 /nfs/dbraw/zinc/14/49/60/479144960.db2.gz OMFCZOVKGGALGJ-IAQYHMDHSA-N -1 0 336.388 2.995 10 5 EFBERM CCc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000610796455 479190867 /nfs/dbraw/zinc/19/08/67/479190867.db2.gz BNPYLYSLACPZSA-UHFFFAOYSA-N -1 0 325.346 2.563 10 5 EFBERM O=C([O-])CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000610845967 479205813 /nfs/dbraw/zinc/20/58/13/479205813.db2.gz NUQNKQXEWXKZDK-UHFFFAOYSA-N -1 0 345.355 2.936 10 5 EFBERM CN(C)c1nc(CSCc2cc([O-])ccc2[N+](=O)[O-])ns1 ZINC000593192312 479232948 /nfs/dbraw/zinc/23/29/48/479232948.db2.gz VDHGCNMTBKNYFM-UHFFFAOYSA-N -1 0 326.403 2.651 10 5 EFBERM CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000599499359 479314313 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Cc1ccccc1CC1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611558306 479415082 /nfs/dbraw/zinc/41/50/82/479415082.db2.gz BZSNTYJOTYPKQA-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM CC(C)(C)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000593697454 479427702 /nfs/dbraw/zinc/42/77/02/479427702.db2.gz REGYJWHITYQOAZ-ZDUSSCGKSA-N -1 0 349.387 2.788 10 5 EFBERM CC(C)(C)C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000593697452 479427902 /nfs/dbraw/zinc/42/79/02/479427902.db2.gz REGYJWHITYQOAZ-CYBMUJFWSA-N -1 0 349.387 2.788 10 5 EFBERM CC(C)C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CC(=O)[O-] ZINC000593701495 479428671 /nfs/dbraw/zinc/42/86/71/479428671.db2.gz WDELDOTYKDMCNG-NSHDSACASA-N -1 0 347.371 2.943 10 5 EFBERM COc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593743891 479443109 /nfs/dbraw/zinc/44/31/09/479443109.db2.gz JJRZKZATHJZHKU-HNNXBMFYSA-N -1 0 342.351 2.787 10 5 EFBERM O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc([O-])c([N+](=O)[O-])c1 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ZINC000780601791 1119812273 /nfs/dbraw/zinc/81/22/73/1119812273.db2.gz YCSFOFYLBOCCSE-UHFFFAOYSA-N -1 0 329.312 2.535 10 5 EFBERM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000056958560 214397833 /nfs/dbraw/zinc/39/78/33/214397833.db2.gz PNIVAHKGWKAAIG-CHWSQXEVSA-N -1 0 336.344 2.630 10 5 EFBERM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000159957033 529643450 /nfs/dbraw/zinc/64/34/50/529643450.db2.gz BAUNECANZHDBRF-VIFPVBQESA-N -1 0 345.377 2.620 10 5 EFBERM O=C(N[C@H]1COc2c1cccc2Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367626219 303987911 /nfs/dbraw/zinc/98/79/11/303987911.db2.gz NJWYPTGXBRTMMA-LBPRGKRZSA-N -1 0 334.715 2.817 10 5 EFBERM COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@]1(C)CO1)O2 ZINC000004098545 210119279 /nfs/dbraw/zinc/11/92/79/210119279.db2.gz BBNDPXOGORGETN-AUUYWEPGSA-N -1 0 340.331 2.753 10 5 in-vitro EFBERM O=C(NC1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179448819 233042659 /nfs/dbraw/zinc/04/26/59/233042659.db2.gz 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O=C(NCc1coc(-c2cccs2)n1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343272108 475909263 /nfs/dbraw/zinc/90/92/63/475909263.db2.gz POMLOMUWEDCQFD-UHFFFAOYSA-N -1 0 345.336 2.947 10 5 EFBERM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000358804666 475952260 /nfs/dbraw/zinc/95/22/60/475952260.db2.gz UJSVCHMCDCWURM-UHFFFAOYSA-N -1 0 338.370 2.642 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000355896701 476068204 /nfs/dbraw/zinc/06/82/04/476068204.db2.gz POHALPZLRKDZPX-LLVKDONJSA-N -1 0 328.324 2.724 10 5 EFBERM CCCc1nc(=NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s[n-]1 ZINC000338642577 476079884 /nfs/dbraw/zinc/07/98/84/476079884.db2.gz QMHCGEHVXBQBEY-UHFFFAOYSA-N -1 0 347.400 2.647 10 5 EFBERM COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)c([N+](=O)[O-])cc1OC ZINC000340593339 476133009 /nfs/dbraw/zinc/13/30/09/476133009.db2.gz KPJIJEHTGXJICR-ARJAWSKDSA-N -1 0 330.296 2.876 10 5 EFBERM CC1(C)CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000336868592 476150187 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479221221 /nfs/dbraw/zinc/22/12/21/479221221.db2.gz BNFQAUMYLNRLPR-UHFFFAOYSA-N -1 0 344.323 2.658 10 5 EFBERM CCOC(=O)C1CCC(Sc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596252684 479225094 /nfs/dbraw/zinc/22/50/94/479225094.db2.gz IVXMUPKCPVVUDX-UHFFFAOYSA-N -1 0 326.374 2.909 10 5 EFBERM O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)[C@@H]1CCc2ccccc21 ZINC000593207008 479240492 /nfs/dbraw/zinc/24/04/92/479240492.db2.gz VHHRPHLQNFNPID-MRXNPFEDSA-N -1 0 333.365 2.903 10 5 EFBERM CCc1ccncc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000593283163 479275058 /nfs/dbraw/zinc/27/50/58/479275058.db2.gz BCNCRPVAQKTMTG-UHFFFAOYSA-N -1 0 335.385 2.970 10 5 EFBERM CCc1ccncc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000593285772 479277423 /nfs/dbraw/zinc/27/74/23/479277423.db2.gz XDJBOXCEWDGOGH-UHFFFAOYSA-N -1 0 335.385 2.970 10 5 EFBERM CCc1cc(N(C)[C@H](CC)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593326143 479296319 /nfs/dbraw/zinc/29/63/19/479296319.db2.gz DYKSDXSTKUQNBH-CQSZACIVSA-N -1 0 344.371 2.914 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346.339 2.768 10 5 EFBERM CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000593792594 479463110 /nfs/dbraw/zinc/46/31/10/479463110.db2.gz UHGGLCPRFALWPZ-UHFFFAOYSA-N -1 0 331.303 2.773 10 5 EFBERM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC000593815521 479471986 /nfs/dbraw/zinc/47/19/86/479471986.db2.gz MMBXKCCWVLUVPD-SNVBAGLBSA-N -1 0 328.752 2.595 10 5 EFBERM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000593923448 479509564 /nfs/dbraw/zinc/50/95/64/479509564.db2.gz XDXYEXYVQRFEDN-ZWNOBZJWSA-N -1 0 334.372 2.970 10 5 EFBERM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000593926704 479510738 /nfs/dbraw/zinc/51/07/38/479510738.db2.gz XMFWSUQKKOSPKY-NSHDSACASA-N -1 0 326.374 2.642 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000590564950 479660876 /nfs/dbraw/zinc/66/08/76/479660876.db2.gz GVGBIFYNPSLKMD-ZDUSSCGKSA-N -1 0 327.340 2.715 10 5 EFBERM Cc1cccc(CC2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)c1 ZINC000612552923 479690391 /nfs/dbraw/zinc/69/03/91/479690391.db2.gz ZXGWKXBWLCGODJ-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610088489 480236425 /nfs/dbraw/zinc/23/64/25/480236425.db2.gz ZWZYKFXTPLGXBB-JKSUJKDBSA-N -1 0 346.383 2.701 10 5 EFBERM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000610254387 480261448 /nfs/dbraw/zinc/26/14/48/480261448.db2.gz PPPVWERKGOVGIS-UHFFFAOYSA-N -1 0 346.723 2.894 10 5 EFBERM C/C=C/C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC)C(=O)[O-] ZINC000263242368 518533164 /nfs/dbraw/zinc/53/31/64/518533164.db2.gz FGTVPBSJKVXAPO-OGOUPESXSA-N -1 0 338.385 2.856 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](c2ccccc2)O1 ZINC000179454246 534405808 /nfs/dbraw/zinc/40/58/08/534405808.db2.gz HZRCEGDIWRXVQJ-SJKOYZFVSA-N -1 0 342.351 2.903 10 5 EFBERM CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)s1 ZINC000072758333 524016523 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480159345 /nfs/dbraw/zinc/15/93/45/480159345.db2.gz NMFQHLQGRBNKPJ-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM CC(C)c1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000179523663 519868333 /nfs/dbraw/zinc/86/83/33/519868333.db2.gz GGDUEEHRMWYUEE-GFCCVEGCSA-N -1 0 346.343 2.784 10 5 EFBERM Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000237734020 524088754 /nfs/dbraw/zinc/08/87/54/524088754.db2.gz DZEWRXSBDCXTKY-OAHLLOKOSA-N -1 0 342.351 2.577 10 5 EFBERM COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2 ZINC000192598633 524211525 /nfs/dbraw/zinc/21/15/25/524211525.db2.gz QFRHJMPQSQJPOG-UHFFFAOYSA-N -1 0 342.351 2.550 10 5 EFBERM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1COc2ccccc21 ZINC000152872084 525219264 /nfs/dbraw/zinc/21/92/64/525219264.db2.gz DKRDTHYMWMVLKQ-GWCFXTLKSA-N -1 0 328.324 2.595 10 5 EFBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000069675678 525747595 /nfs/dbraw/zinc/74/75/95/525747595.db2.gz WIAPBPSGWNEVRS-UHFFFAOYSA-N 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EFBERM O=C(c1s[n-]c(=O)c1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC000339281995 475115919 /nfs/dbraw/zinc/11/59/19/475115919.db2.gz KXHSSEMSTOWSOJ-UHFFFAOYSA-N -1 0 325.733 2.613 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000341582544 475165055 /nfs/dbraw/zinc/16/50/55/475165055.db2.gz IESHYDQVEWXOTK-UHFFFAOYSA-N -1 0 345.384 2.953 10 5 EFBERM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354534298 475226034 /nfs/dbraw/zinc/22/60/34/475226034.db2.gz BTZCCJHAJRVSMM-QFYYESIMSA-N -1 0 348.330 2.946 10 5 EFBERM C[C@H](Cn1ncc2ccccc21)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000354616912 475294277 /nfs/dbraw/zinc/29/42/77/475294277.db2.gz IQKBPLRANAZADI-LLVKDONJSA-N -1 0 340.339 2.925 10 5 EFBERM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000345606041 475300086 /nfs/dbraw/zinc/30/00/86/475300086.db2.gz BMKJAKOKQCNFLH-VIFPVBQESA-N -1 0 346.714 2.867 10 5 EFBERM O=C(Nc1ccccc1N1CCCC1=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000357994484 475318502 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EFBERM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361658123 475637220 /nfs/dbraw/zinc/63/72/20/475637220.db2.gz XHJUUKSHWTXMGE-JTQLQIEISA-N -1 0 344.323 2.814 10 5 EFBERM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361658294 475637269 /nfs/dbraw/zinc/63/72/69/475637269.db2.gz FGHOKZCEJOBUCA-UHFFFAOYSA-N -1 0 340.286 2.631 10 5 EFBERM COc1ccc(O[C@H](C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000361663375 475642658 /nfs/dbraw/zinc/64/26/58/475642658.db2.gz UDWYKAGRMIOYSW-SNVBAGLBSA-N -1 0 332.312 2.715 10 5 EFBERM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353239397 475795604 /nfs/dbraw/zinc/79/56/04/475795604.db2.gz WGJPKNLKUYCPHW-SJLPKXTDSA-N -1 0 342.351 2.769 10 5 EFBERM COc1ccccc1O[C@@H](C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343144547 475807012 /nfs/dbraw/zinc/80/70/12/475807012.db2.gz AIRGTZGGXXZAPD-NSHDSACASA-N -1 0 346.339 2.506 10 5 EFBERM CCCc1nc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s[n-]1 ZINC000346837706 475900694 /nfs/dbraw/zinc/90/06/94/475900694.db2.gz ZTTQHMANDJQELI-UHFFFAOYSA-N -1 0 326.765 2.726 10 5 EFBERM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346883812 475936135 /nfs/dbraw/zinc/93/61/35/475936135.db2.gz XAMPQFHPOZEORR-UHFFFAOYSA-N -1 0 345.286 2.577 10 5 EFBERM C[C@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)(C1CC1)C(F)(F)F ZINC000358831268 475973748 /nfs/dbraw/zinc/97/37/48/475973748.db2.gz RSAQDHAGQYCVGJ-VIFPVBQESA-N -1 0 344.336 2.666 10 5 EFBERM C[C@H](COCc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353510734 476031965 /nfs/dbraw/zinc/03/19/65/476031965.db2.gz SGZBSZXQQRZGQQ-GFCCVEGCSA-N -1 0 330.340 2.636 10 5 EFBERM COc1cc(F)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1OC ZINC000355559979 476032409 /nfs/dbraw/zinc/03/24/09/476032409.db2.gz VHHIBBVWFCZETA-UHFFFAOYSA-N -1 0 336.275 2.709 10 5 EFBERM CCCc1nc(=NC(=O)CSc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000338641818 476079118 /nfs/dbraw/zinc/07/91/18/476079118.db2.gz MSKHQMGNYDGSNU-UHFFFAOYSA-N -1 0 338.414 2.552 10 5 EFBERM CN(C)c1cccc(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000338798889 476194791 /nfs/dbraw/zinc/19/47/91/476194791.db2.gz DDZLGJPNJAIZOB-UHFFFAOYSA-N -1 0 329.356 2.938 10 5 EFBERM COc1ccc(C(=O)[O-])cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000340675435 476198090 /nfs/dbraw/zinc/19/80/90/476198090.db2.gz GVENBRFKUGMKAP-UHFFFAOYSA-N -1 0 332.312 2.922 10 5 EFBERM CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000359343536 476225123 /nfs/dbraw/zinc/22/51/23/476225123.db2.gz PFBHKFUYXWAUSM-JTQLQIEISA-N -1 0 343.339 2.750 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000354008596 476360183 /nfs/dbraw/zinc/36/01/83/476360183.db2.gz JJQHKVUCOWVGKX-VGTOOOLASA-N -1 0 342.351 2.983 10 5 EFBERM CCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000360798395 476394751 /nfs/dbraw/zinc/39/47/51/476394751.db2.gz DQPFYCXSEJUHBK-UHFFFAOYSA-N -1 0 345.377 2.862 10 5 EFBERM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000354196720 476494452 /nfs/dbraw/zinc/49/44/52/476494452.db2.gz XHYLYDLZYFITEY-SNVBAGLBSA-N -1 0 334.303 2.637 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000361040404 476559243 /nfs/dbraw/zinc/55/92/43/476559243.db2.gz NDPWWJFIKNNLGF-UHFFFAOYSA-N -1 0 337.335 2.911 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000354323411 476586676 /nfs/dbraw/zinc/58/66/76/476586676.db2.gz CJVWZYNRKFKREK-JUZXBQNTSA-N -1 0 348.380 2.529 10 5 EFBERM CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000451999371 476768309 /nfs/dbraw/zinc/76/83/09/476768309.db2.gz XFLJVYZPFQCFOE-CYBMUJFWSA-N -1 0 342.417 2.851 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000375747949 476984951 /nfs/dbraw/zinc/98/49/51/476984951.db2.gz FQOPZBJGFIHVEK-INIZCTEOSA-N -1 0 346.314 2.653 10 5 EFBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)s1 ZINC000431624276 477063129 /nfs/dbraw/zinc/06/31/29/477063129.db2.gz VUGQDBKMTPQXDV-NSHDSACASA-N -1 0 348.352 2.941 10 5 EFBERM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375896163 477067416 /nfs/dbraw/zinc/06/74/16/477067416.db2.gz UHDBJGKCOXSHOM-CQSZACIVSA-N -1 0 344.323 2.563 10 5 EFBERM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000431796405 477097000 /nfs/dbraw/zinc/09/70/00/477097000.db2.gz UFMMSCKTORXHDE-UHFFFAOYSA-N -1 0 338.323 2.621 10 5 EFBERM CCOC(=O)c1cc(NC[C@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000424374004 477383057 /nfs/dbraw/zinc/38/30/57/477383057.db2.gz KNDSVECMHZWFQV-NSHDSACASA-N -1 0 338.360 2.930 10 5 EFBERM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436562482 477516133 /nfs/dbraw/zinc/51/61/33/477516133.db2.gz KKZYVDFGEIZXPV-SECBINFHSA-N -1 0 347.274 2.790 10 5 EFBERM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436568198 477518582 /nfs/dbraw/zinc/51/85/82/477518582.db2.gz RJCAHHOQMZBEGB-PBHICJAKSA-N -1 0 342.351 2.951 10 5 EFBERM CCC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000436648484 477545147 /nfs/dbraw/zinc/54/51/47/477545147.db2.gz MCAFUCOJBMZHLR-UHFFFAOYSA-N -1 0 329.312 2.849 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436652877 477545547 /nfs/dbraw/zinc/54/55/47/477545547.db2.gz BATOFWUSQULVJN-UHFFFAOYSA-N -1 0 337.335 2.911 10 5 EFBERM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436685555 477557952 /nfs/dbraw/zinc/55/79/52/477557952.db2.gz LWUNAUYMQZRWCW-AWEZNQCLSA-N -1 0 346.314 2.865 10 5 EFBERM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436687928 477559158 /nfs/dbraw/zinc/55/91/58/477559158.db2.gz RYSIFPAPYRGJTD-CQSZACIVSA-N -1 0 346.314 2.865 10 5 EFBERM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436690515 477559339 /nfs/dbraw/zinc/55/93/39/477559339.db2.gz YYMQVHXPERKVQW-CYBMUJFWSA-N -1 0 346.314 2.865 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000367537358 477563295 /nfs/dbraw/zinc/56/32/95/477563295.db2.gz FDAZMGJNTSFWRP-INIZCTEOSA-N -1 0 334.372 2.722 10 5 EFBERM COc1ccccc1[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000367538582 477564226 /nfs/dbraw/zinc/56/42/26/477564226.db2.gz QNPAVJVWQOUHLU-GFCCVEGCSA-N -1 0 342.351 2.939 10 5 EFBERM COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OC ZINC000436736040 477575955 /nfs/dbraw/zinc/57/59/55/477575955.db2.gz FNENPSGVUTYWJW-UHFFFAOYSA-N -1 0 332.312 2.878 10 5 EFBERM COc1cccc(C[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436784492 477588477 /nfs/dbraw/zinc/58/84/77/477588477.db2.gz QKKQZYJBTINKDS-LLVKDONJSA-N -1 0 330.340 2.670 10 5 EFBERM CCCc1nc(=NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s[n-]1 ZINC000455368657 477606092 /nfs/dbraw/zinc/60/60/92/477606092.db2.gz BPOHPSYPQRCRNT-UHFFFAOYSA-N -1 0 349.416 2.878 10 5 EFBERM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc2c(c1)OCO2 ZINC000436913232 477633039 /nfs/dbraw/zinc/63/30/39/477633039.db2.gz ZUZDBYREKZFSSW-SECBINFHSA-N -1 0 330.296 2.520 10 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477804819 /nfs/dbraw/zinc/80/48/19/477804819.db2.gz BQXNTPNLIRWATP-VIFPVBQESA-N -1 0 334.303 2.939 10 5 EFBERM CCCc1nc(=NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])s[n-]1 ZINC000451443005 478020084 /nfs/dbraw/zinc/02/00/84/478020084.db2.gz BREFYDQWTBDXBI-UHFFFAOYSA-N -1 0 334.401 2.737 10 5 EFBERM CC1(c2nc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)s[n-]2)CC1 ZINC000600227079 478297189 /nfs/dbraw/zinc/29/71/89/478297189.db2.gz IOZGZXCPPAOPJL-UHFFFAOYSA-N -1 0 343.368 2.653 10 5 EFBERM C[C@H](C(=O)N=c1nc(C2(C)CC2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000600228248 478298950 /nfs/dbraw/zinc/29/89/50/478298950.db2.gz TYELTFOGUCWIAV-VIFPVBQESA-N -1 0 332.385 2.662 10 5 EFBERM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600303200 478328541 /nfs/dbraw/zinc/32/85/41/478328541.db2.gz VXMJIONDSDFWQM-MRXNPFEDSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600303199 478328597 /nfs/dbraw/zinc/32/85/97/478328597.db2.gz VXMJIONDSDFWQM-INIZCTEOSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600299954 478328762 /nfs/dbraw/zinc/32/87/62/478328762.db2.gz BQZPORFZKNHEEQ-MRXNPFEDSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600301791 478329387 /nfs/dbraw/zinc/32/93/87/478329387.db2.gz LIOUYUOLWAEDOI-HNNXBMFYSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594410994 478370542 /nfs/dbraw/zinc/37/05/42/478370542.db2.gz FPOMFSBURYDTMO-SKDRFNHKSA-N -1 0 348.277 2.530 10 5 EFBERM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594413522 478371327 /nfs/dbraw/zinc/37/13/27/478371327.db2.gz BUSVMBHSFPCOGN-LBPRGKRZSA-N -1 0 334.372 2.864 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000594413486 478371467 /nfs/dbraw/zinc/37/14/67/478371467.db2.gz ZNEWEISPTWPEMC-JOYOIKCWSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594412549 478371843 /nfs/dbraw/zinc/37/18/43/478371843.db2.gz PGOSKAWFRJSHPQ-JOYOIKCWSA-N -1 0 348.277 2.530 10 5 EFBERM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000597491566 478376285 /nfs/dbraw/zinc/37/62/85/478376285.db2.gz NWLCAJKFWGABOU-CYBMUJFWSA-N -1 0 336.344 2.607 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590872564 478378432 /nfs/dbraw/zinc/37/84/32/478378432.db2.gz NDZPOXDOSWCNAL-KGLIPLIRSA-N -1 0 346.383 2.722 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000581548269 478385821 /nfs/dbraw/zinc/38/58/21/478385821.db2.gz ARFSGLLTYLOTBM-ZWNOBZJWSA-N -1 0 335.360 2.732 10 5 EFBERM Cc1c(CNC(=O)N(CC(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000590899865 478388900 /nfs/dbraw/zinc/38/89/00/478388900.db2.gz YJGXWDDEMVBXRJ-UHFFFAOYSA-N -1 0 349.387 2.832 10 5 EFBERM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC1CC1 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COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346378113 142196390 /nfs/dbraw/zinc/19/63/90/142196390.db2.gz KSRFLCZASCNKCH-SECBINFHSA-N -1 0 334.303 2.939 10 5 EFBERM O=C(NCc1nc2ccccc2s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349515424 142334361 /nfs/dbraw/zinc/33/43/61/142334361.db2.gz BLMAPUSBZDQMHQ-UHFFFAOYSA-N -1 0 329.337 2.840 10 5 EFBERM CCCc1nc(=NC(=O)c2cccc(SC)c2[N+](=O)[O-])s[n-]1 ZINC000342301516 145096405 /nfs/dbraw/zinc/09/64/05/145096405.db2.gz KCWBASRYFXZZCJ-UHFFFAOYSA-N -1 0 338.414 2.795 10 5 EFBERM O=C(Nc1ccccc1O[C@H]1CCOC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343800254 145297367 /nfs/dbraw/zinc/29/73/67/145297367.db2.gz DGBVKVXCMFRQRO-NSHDSACASA-N -1 0 344.323 2.720 10 5 EFBERM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343810715 145300121 /nfs/dbraw/zinc/30/01/21/145300121.db2.gz QYCMIUSKJIOSIR-NSHDSACASA-N -1 0 330.340 2.757 10 5 EFBERM Cc1cc(C)cc(OCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000351640327 146166403 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C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000368601452 150160431 /nfs/dbraw/zinc/16/04/31/150160431.db2.gz GQMRXZYWQFKJMK-MEBBXXQBSA-N -1 0 348.380 2.964 10 5 EFBERM Cc1nc(-c2cccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])c2)n[nH]1 ZINC000373944930 151254913 /nfs/dbraw/zinc/25/49/13/151254913.db2.gz FZAXZWGOFTXABE-UHFFFAOYSA-N -1 0 339.311 2.646 10 5 EFBERM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000408434256 152190342 /nfs/dbraw/zinc/19/03/42/152190342.db2.gz PSTRQCCKLVJHKD-UHFFFAOYSA-N -1 0 334.372 2.864 10 5 EFBERM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000339087921 287040320 /nfs/dbraw/zinc/04/03/20/287040320.db2.gz RSOZMOREUUXRRS-GFCCVEGCSA-N -1 0 339.355 2.732 10 5 EFBERM COCCN(Cc1scnc1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339132400 292509661 /nfs/dbraw/zinc/50/96/61/292509661.db2.gz INFYVIAQWAAODU-UHFFFAOYSA-N -1 0 337.401 2.714 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000159531563 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334.303 2.557 10 5 EFBERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000462494975 313115541 /nfs/dbraw/zinc/11/55/41/313115541.db2.gz BXUQDBMSTNWJMP-WCQYABFASA-N -1 0 342.392 2.981 10 5 EFBERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462494974 313115724 /nfs/dbraw/zinc/11/57/24/313115724.db2.gz BXUQDBMSTNWJMP-DGCLKSJQSA-N -1 0 342.392 2.981 10 5 EFBERM COCCOc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000505327425 315454404 /nfs/dbraw/zinc/45/44/04/315454404.db2.gz UTRYIHQINXSETD-UHFFFAOYSA-N -1 0 332.312 2.578 10 5 EFBERM O=C(NCCCc1nc2ccccc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505776466 315465914 /nfs/dbraw/zinc/46/59/14/315465914.db2.gz JYRZDLCIMZGCGV-UHFFFAOYSA-N -1 0 340.339 2.539 10 5 EFBERM Cc1cccc(OC[C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507465820 315486446 /nfs/dbraw/zinc/48/64/46/315486446.db2.gz GHPZPQAEDJRBFW-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F 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476137809 /nfs/dbraw/zinc/13/78/09/476137809.db2.gz DFOJQEZHCGASID-UHFFFAOYSA-N -1 0 338.117 2.710 10 5 EFBERM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353645456 476153675 /nfs/dbraw/zinc/15/36/75/476153675.db2.gz GVOSMMHRRDLCOR-UHFFFAOYSA-N -1 0 347.396 2.908 10 5 EFBERM Cc1ccc(O[C@H](C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000354197109 476494254 /nfs/dbraw/zinc/49/42/54/476494254.db2.gz YTYLGRPIHASDRJ-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000377663646 476507162 /nfs/dbraw/zinc/50/71/62/476507162.db2.gz AABYEXDSWONGJA-MRXNPFEDSA-N -1 0 328.324 2.514 10 5 EFBERM COc1c(C)cnc(CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000352096671 476524160 /nfs/dbraw/zinc/52/41/60/476524160.db2.gz ICADVXUOUXOFEF-UHFFFAOYSA-N -1 0 345.355 2.593 10 5 EFBERM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000377851603 476612831 /nfs/dbraw/zinc/61/28/31/476612831.db2.gz VCDRRHOFJZUHCC-UHFFFAOYSA-N -1 0 346.393 2.778 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000354406855 476641966 /nfs/dbraw/zinc/64/19/66/476641966.db2.gz WKJIPUBCAMFTMQ-UHFFFAOYSA-N -1 0 334.278 2.777 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000370202777 476696190 /nfs/dbraw/zinc/69/61/90/476696190.db2.gz XNYMCYOGOMOLKP-OAHLLOKOSA-N -1 0 346.314 2.653 10 5 EFBERM CN(CCc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c([O-])cc1N ZINC000408514486 476957083 /nfs/dbraw/zinc/95/70/83/476957083.db2.gz MDRNNWAYJZDRCF-UHFFFAOYSA-N -1 0 349.774 2.851 10 5 EFBERM CC(C)Oc1ccc(=NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[n-]n1 ZINC000410789381 477058136 /nfs/dbraw/zinc/05/81/36/477058136.db2.gz HGZNNWXSFYJUSI-UHFFFAOYSA-N -1 0 344.371 2.510 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2ccccn2)CC1 ZINC000366778096 477182321 /nfs/dbraw/zinc/18/23/21/477182321.db2.gz CHUALXVYWUTOEH-UHFFFAOYSA-N -1 0 327.340 2.715 10 5 EFBERM C[C@H](CCCc1cccnc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000457949035 477271155 /nfs/dbraw/zinc/27/11/55/477271155.db2.gz UJVCAAQIDMKVGE-GFCCVEGCSA-N -1 0 329.356 2.837 10 5 EFBERM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000371435366 477317973 /nfs/dbraw/zinc/31/79/73/477317973.db2.gz VLLGIMVLKXSYMA-PBHICJAKSA-N -1 0 342.351 2.808 10 5 EFBERM CC(C)(C)c1ccncc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000412566546 477436986 /nfs/dbraw/zinc/43/69/86/477436986.db2.gz USUPSLWMJRCINK-UHFFFAOYSA-N -1 0 329.356 2.923 10 5 EFBERM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436685700 477557728 /nfs/dbraw/zinc/55/77/28/477557728.db2.gz MHLZOWYNPHRKGE-CYBMUJFWSA-N -1 0 346.314 2.865 10 5 EFBERM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436766976 477584674 /nfs/dbraw/zinc/58/46/74/477584674.db2.gz AOJJNJKQULWODN-ZDUSSCGKSA-N -1 0 328.324 2.781 10 5 EFBERM Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(C)c1O ZINC000436836911 477607879 /nfs/dbraw/zinc/60/78/79/477607879.db2.gz DPGAZYJUXPKXNW-UHFFFAOYSA-N -1 0 330.340 2.595 10 5 EFBERM CCCc1nc(=NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000455381073 477611480 /nfs/dbraw/zinc/61/14/80/477611480.db2.gz PCJWKBIAAFJSCF-VIFPVBQESA-N -1 0 335.389 2.703 10 5 EFBERM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436934014 477641233 /nfs/dbraw/zinc/64/12/33/477641233.db2.gz RJCAHHOQMZBEGB-RHSMWYFYSA-N -1 0 342.351 2.951 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000367696734 477642590 /nfs/dbraw/zinc/64/25/90/477642590.db2.gz JFGWJAPLSPKSAF-AWEZNQCLSA-N -1 0 334.353 2.576 10 5 EFBERM COC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000436963504 477650350 /nfs/dbraw/zinc/65/03/50/477650350.db2.gz ODGUTNNCHBXOTG-ZDUSSCGKSA-N -1 0 334.303 2.557 10 5 EFBERM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969153 477653023 /nfs/dbraw/zinc/65/30/23/477653023.db2.gz XMAFIICPEQWRNU-SJLPKXTDSA-N -1 0 342.351 2.769 10 5 EFBERM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000436974857 477653675 /nfs/dbraw/zinc/65/36/75/477653675.db2.gz COOYKPIKPJHTBT-DINDLPBHSA-N -1 0 342.351 2.983 10 5 EFBERM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])no1 ZINC000368411220 477804189 /nfs/dbraw/zinc/80/41/89/477804189.db2.gz GTBJAUZHIRMUPL-CYBMUJFWSA-N -1 0 346.343 2.749 10 5 EFBERM C[C@H]1CCN(c2cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccn2)C1 ZINC000439049951 477922540 /nfs/dbraw/zinc/92/25/40/477922540.db2.gz AQYDLWUFGDTPLX-NSHDSACASA-N -1 0 342.355 2.794 10 5 EFBERM C/C=C/C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000559413084 477983092 /nfs/dbraw/zinc/98/30/92/477983092.db2.gz GATLMZLXRRVWBK-KXMPLOMGSA-N -1 0 327.724 2.789 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC000560543144 478107134 /nfs/dbraw/zinc/10/71/34/478107134.db2.gz OEPXLOYJAOAZPQ-UHFFFAOYSA-N -1 0 325.324 2.625 10 5 EFBERM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)cc1F ZINC000440736327 478156025 /nfs/dbraw/zinc/15/60/25/478156025.db2.gz YHGHRRWZPQWVJP-QMMMGPOBSA-N -1 0 337.282 2.507 10 5 EFBERM Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000519761610 478257463 /nfs/dbraw/zinc/25/74/63/478257463.db2.gz AACWMSYBOYDWQP-GXFFZTMASA-N -1 0 329.356 2.998 10 5 EFBERM CC1(c2nc(=NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)s[n-]2)CC1 ZINC000600227729 478297977 /nfs/dbraw/zinc/29/79/77/478297977.db2.gz LZHKIJAEHNCAMZ-NWDGAFQWSA-N -1 0 344.396 2.662 10 5 EFBERM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000590742325 478312789 /nfs/dbraw/zinc/31/27/89/478312789.db2.gz BQFIYBOXDWHVCE-UHFFFAOYSA-N -1 0 349.368 2.677 10 5 EFBERM CSc1nnc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000520818688 478348566 /nfs/dbraw/zinc/34/85/66/478348566.db2.gz YMKRSKKVSOPOTI-UHFFFAOYSA-N -1 0 340.386 2.787 10 5 EFBERM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000597443266 478355147 /nfs/dbraw/zinc/35/51/47/478355147.db2.gz RXRIEFASOASKRI-ZDUSSCGKSA-N -1 0 336.344 2.607 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597606309 478430928 /nfs/dbraw/zinc/43/09/28/478430928.db2.gz WJGHVQUBHWVCJS-YUELXQCFSA-N -1 0 348.399 2.846 10 5 EFBERM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600668077 478460001 /nfs/dbraw/zinc/46/00/01/478460001.db2.gz LJLSWTYUVLEAFV-UHFFFAOYSA-N -1 0 338.389 2.561 10 5 EFBERM Cc1cc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000600678219 478466350 /nfs/dbraw/zinc/46/63/50/478466350.db2.gz GOGSATFVONCWLV-PELKAZGASA-N -1 0 348.277 2.600 10 5 EFBERM Cn1ncc(C2CCC2)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594694725 478499115 /nfs/dbraw/zinc/49/91/15/478499115.db2.gz CNXYDDOUFQDQLQ-AATRIKPKSA-N -1 0 328.328 2.859 10 5 EFBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000594696833 478500672 /nfs/dbraw/zinc/50/06/72/478500672.db2.gz OUUQKATURJKSDQ-UHFFFAOYSA-N -1 0 348.380 2.777 10 5 EFBERM Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000594735489 478520120 /nfs/dbraw/zinc/52/01/20/478520120.db2.gz HTSNFGBYMMXFND-LBPRGKRZSA-N -1 0 330.344 2.559 10 5 EFBERM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc(OC3CC3)c2F)n1 ZINC000594736928 478522022 /nfs/dbraw/zinc/52/20/22/478522022.db2.gz SXLIFSYDROGFBH-UHFFFAOYSA-N -1 0 347.302 2.980 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000594743045 478526455 /nfs/dbraw/zinc/52/64/55/478526455.db2.gz PWCDOSYVJMNHSH-RWMBFGLXSA-N -1 0 339.417 2.627 10 5 EFBERM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000594759401 478533020 /nfs/dbraw/zinc/53/30/20/478533020.db2.gz KEJHOOISNNMAQN-LBPRGKRZSA-N -1 0 349.412 2.634 10 5 EFBERM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759653 478533578 /nfs/dbraw/zinc/53/35/78/478533578.db2.gz MDOSSRRTVNOMEJ-CQSZACIVSA-N -1 0 349.412 2.680 10 5 EFBERM Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)oc1C(=O)[O-] ZINC000600868478 478545622 /nfs/dbraw/zinc/54/56/22/478545622.db2.gz DWZLEZAHILWSOF-UHFFFAOYSA-N -1 0 344.323 2.999 10 5 EFBERM Cc1oc(C)c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1C ZINC000600874661 478547578 /nfs/dbraw/zinc/54/75/78/478547578.db2.gz JYNPXZHQQRPOSW-QGZVFWFLSA-N -1 0 346.339 2.843 10 5 EFBERM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600873836 478548070 /nfs/dbraw/zinc/54/80/70/478548070.db2.gz FIPQPSOBXCSRSB-CQSZACIVSA-N -1 0 334.372 2.914 10 5 EFBERM C[C@](NC(=O)CC1CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876270 478548974 /nfs/dbraw/zinc/54/89/74/478548974.db2.gz PEWSHAIQMKSUET-QGZVFWFLSA-N -1 0 334.372 2.981 10 5 EFBERM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000600881149 478550324 /nfs/dbraw/zinc/55/03/24/478550324.db2.gz MJRDKBHFBNPRIJ-LLVKDONJSA-N -1 0 328.271 2.553 10 5 EFBERM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600880523 478550638 /nfs/dbraw/zinc/55/06/38/478550638.db2.gz KAADNPJCGGDZFE-VNHYZAJKSA-N -1 0 332.356 2.619 10 5 EFBERM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000571245743 478550662 /nfs/dbraw/zinc/55/06/62/478550662.db2.gz MXCMDSUXJGNGGZ-JTQLQIEISA-N -1 0 336.373 2.563 10 5 EFBERM CC(C)CCc1nnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000597871641 478554352 /nfs/dbraw/zinc/55/43/52/478554352.db2.gz ICMJAIXRYDMDFA-UHFFFAOYSA-N -1 0 336.373 2.993 10 5 EFBERM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(F)F ZINC000594851147 478560131 /nfs/dbraw/zinc/56/01/31/478560131.db2.gz GYGRRXADGKBMAK-SNVBAGLBSA-N -1 0 340.735 2.572 10 5 EFBERM O=C([O-])c1nc(-c2cc([N+](=O)[O-])ccc2CCO)sc1C1CC1 ZINC000594874271 478570192 /nfs/dbraw/zinc/57/01/92/478570192.db2.gz BJKYCPWNAYDOSO-UHFFFAOYSA-N -1 0 334.353 2.829 10 5 EFBERM O=C([O-])[C@@H]1C[C@H]1c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000594874464 478570535 /nfs/dbraw/zinc/57/05/35/478570535.db2.gz PWNHUMVEZCREJX-DLBZAZTESA-N -1 0 327.336 2.985 10 5 EFBERM Cc1ccnc([C@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000582735247 478671007 /nfs/dbraw/zinc/67/10/07/478671007.db2.gz CSAQWJVWZDEUPQ-LBPRGKRZSA-N -1 0 327.340 2.634 10 5 EFBERM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595244858 478699916 /nfs/dbraw/zinc/69/99/16/478699916.db2.gz KMDZXTYFFXBXRU-ZNMIVQPWSA-N -1 0 332.356 2.700 10 5 EFBERM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595381430 478755506 /nfs/dbraw/zinc/75/55/06/478755506.db2.gz KWVQKMLMWJMFLM-UHFFFAOYSA-N -1 0 340.323 2.694 10 5 EFBERM CC(C)[C@@H](O)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598345134 478778593 /nfs/dbraw/zinc/77/85/93/478778593.db2.gz BGOYVTPMSFZFSA-DLBZAZTESA-N -1 0 344.367 2.788 10 5 EFBERM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598378501 478795178 /nfs/dbraw/zinc/79/51/78/478795178.db2.gz JGGGHEPRBIHXLM-CQSZACIVSA-N -1 0 341.367 2.651 10 5 EFBERM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505417158 478868704 /nfs/dbraw/zinc/86/87/04/478868704.db2.gz WCSCRTCWMDJTLQ-UHFFFAOYSA-N -1 0 345.286 2.577 10 5 EFBERM CCOc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000505547352 478873375 /nfs/dbraw/zinc/87/33/75/478873375.db2.gz PUEMSVCZXXCXPB-UHFFFAOYSA-N -1 0 346.339 2.638 10 5 EFBERM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]c1C(C)C ZINC000592385015 478877526 /nfs/dbraw/zinc/87/75/26/478877526.db2.gz INEVNLPXWUHPFH-UHFFFAOYSA-N -1 0 342.352 2.690 10 5 EFBERM Cc1c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]c1C(C)C ZINC000592385080 478877549 /nfs/dbraw/zinc/87/75/49/478877549.db2.gz PDSBMBLHNURJOO-UHFFFAOYSA-N -1 0 338.389 2.692 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601657303 478933311 /nfs/dbraw/zinc/93/33/11/478933311.db2.gz ITVIBDVQNRNNDY-CQSZACIVSA-N -1 0 327.340 2.715 10 5 EFBERM COc1nc(C)cc(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598912648 479083578 /nfs/dbraw/zinc/08/35/78/479083578.db2.gz 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ZINC000263260745 527061406 /nfs/dbraw/zinc/06/14/06/527061406.db2.gz JOEVGIGQNDZBFF-VIFPVBQESA-N -1 0 349.368 2.857 10 5 EFBERM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000120002637 527390885 /nfs/dbraw/zinc/39/08/85/527390885.db2.gz NGABNSHQMGVCLA-UHFFFAOYSA-N -1 0 329.337 2.944 10 5 EFBERM CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181941733 528109986 /nfs/dbraw/zinc/10/99/86/528109986.db2.gz QYXWSCMCCSJHDS-UHFFFAOYSA-N -1 0 329.356 2.790 10 5 EFBERM COC(=O)c1cc(NC2CCC(C(=O)[O-])CC2)cc(C)c1[N+](=O)[O-] ZINC000263552238 536563513 /nfs/dbraw/zinc/56/35/13/536563513.db2.gz LTAVLGKMMWLUKR-UHFFFAOYSA-N -1 0 336.344 2.745 10 5 EFBERM COc1cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc(OC)c1C ZINC000349347710 536852516 /nfs/dbraw/zinc/85/25/16/536852516.db2.gz NSLHRZJTGXWRPG-UHFFFAOYSA-N -1 0 332.312 2.878 10 5 EFBERM COc1cccc2c1[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000346303724 536969252 /nfs/dbraw/zinc/96/92/52/536969252.db2.gz BQHLUUMJVKNSLY-GFCCVEGCSA-N -1 0 328.324 2.978 10 5 EFBERM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000755442364 575587198 /nfs/dbraw/zinc/58/71/98/575587198.db2.gz WAPLNESGKSWYAN-JTQLQIEISA-N -1 0 341.323 2.975 10 5 EFBERM C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000758086641 575859656 /nfs/dbraw/zinc/85/96/56/575859656.db2.gz ISJOVGNGYJUDKP-MRVPVSSYSA-N -1 0 348.277 2.656 10 5 EFBERM CCn1nccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769873382 577390308 /nfs/dbraw/zinc/39/03/08/577390308.db2.gz SASQCUMNGHTGCG-UHFFFAOYSA-N -1 0 344.780 2.574 10 5 EFBERM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000773984768 581476824 /nfs/dbraw/zinc/47/68/24/581476824.db2.gz FAYKNRXMWKDNRO-UHFFFAOYSA-N -1 0 349.346 2.948 10 5 EFBERM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000850885515 1250668368 /nfs/dbraw/zinc/66/83/68/1250668368.db2.gz GVPZXAJJVVCXNN-UHFFFAOYSA-N -1 0 344.364 2.509 10 5 EFBERM COC(C)(C)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137035458 1278547614 /nfs/dbraw/zinc/54/76/14/1278547614.db2.gz UJZRIPPJGSGJQA-QMMMGPOBSA-N -1 0 330.768 2.887 10 5 EFBERM CCOP(=O)(CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000843917910 1278659240 /nfs/dbraw/zinc/65/92/40/1278659240.db2.gz AXEKWHWMSDQONR-UHFFFAOYSA-N -1 0 346.276 2.596 10 5 EFBERM Nc1ccc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c([N+](=O)[O-])c1 ZINC000844217600 1278791872 /nfs/dbraw/zinc/79/18/72/1278791872.db2.gz GYBJRXPVRCPRSE-UHFFFAOYSA-N -1 0 348.384 2.716 10 5 EFBERM Cn1ncc2c1CCC[C@@H]2Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207356 1278811525 /nfs/dbraw/zinc/81/15/25/1278811525.db2.gz BBBRLEIMZXAHFT-WOLRVDTOSA-N -1 0 342.355 2.916 10 5 EFBERM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000786324754 1275371518 /nfs/dbraw/zinc/37/15/18/1275371518.db2.gz GFSMUEFNKDBCRU-UHFFFAOYSA-N -1 0 346.380 2.755 10 5 EFBERM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788309060 1276122544 /nfs/dbraw/zinc/12/25/44/1276122544.db2.gz RJVIQNPQOTXLBW-QFYYESIMSA-N -1 0 348.330 2.682 10 5 EFBERM Cc1cc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001136203978 1276684724 /nfs/dbraw/zinc/68/47/24/1276684724.db2.gz YVGHYRULXYTNTG-UHFFFAOYSA-N -1 0 325.708 2.522 10 5 EFBERM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000789476850 1276726539 /nfs/dbraw/zinc/72/65/39/1276726539.db2.gz FWNAYDAJJVBKAW-UHFFFAOYSA-N -1 0 348.380 2.639 10 5 EFBERM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789478625 1276773994 /nfs/dbraw/zinc/77/39/94/1276773994.db2.gz GFQLEQSXVIXZRK-JTQLQIEISA-N -1 0 342.417 2.780 10 5 EFBERM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)F ZINC000815044072 1287266683 /nfs/dbraw/zinc/26/66/83/1287266683.db2.gz WQMMZZKIVFUKTB-UHFFFAOYSA-N -1 0 346.714 2.709 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1C ZINC000820777805 1277307109 /nfs/dbraw/zinc/30/71/09/1277307109.db2.gz BZVBUHGAFHTMCT-ZYHUDNBSSA-N -1 0 340.401 2.534 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1C ZINC000820777594 1277307848 /nfs/dbraw/zinc/30/78/48/1277307848.db2.gz BZVBUHGAFHTMCT-CMPLNLGQSA-N -1 0 340.401 2.534 10 5 EFBERM CN(Cc1cscn1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136387892 1277339378 /nfs/dbraw/zinc/33/93/78/1277339378.db2.gz BATYVNWCFNQHBQ-UHFFFAOYSA-N -1 0 327.749 2.683 10 5 EFBERM O=C([O-])[C@]12CCC[C@H]1N(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000871868627 1287331572 /nfs/dbraw/zinc/33/15/72/1287331572.db2.gz CUKYWKSXMGGHNN-PBHICJAKSA-N -1 0 327.340 2.977 10 5 EFBERM COC(=O)/C=C/c1ccc(NC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000844931893 1279349021 /nfs/dbraw/zinc/34/90/21/1279349021.db2.gz WTGFQJZNHNGSGQ-GQCTYLIASA-N -1 0 334.328 2.590 10 5 EFBERM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000845528944 1279705423 /nfs/dbraw/zinc/70/54/23/1279705423.db2.gz INQPPHBDLOCWGS-UHFFFAOYSA-N -1 0 328.390 2.534 10 5 EFBERM CCOC(=O)c1nc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000793961413 1279958347 /nfs/dbraw/zinc/95/83/47/1279958347.db2.gz ZQFGRFNMCKHPDZ-NTMALXAHSA-N -1 0 344.327 2.537 10 5 EFBERM CCOC(=O)c1nc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000793961412 1279958798 /nfs/dbraw/zinc/95/87/98/1279958798.db2.gz ZQFGRFNMCKHPDZ-CSKARUKUSA-N -1 0 344.327 2.537 10 5 EFBERM CCc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)no1 ZINC001147277708 1281138149 /nfs/dbraw/zinc/13/81/49/1281138149.db2.gz VJBNGRKTOSMYCL-GFCCVEGCSA-N -1 0 346.343 2.613 10 5 EFBERM CSc1cc(Cl)ccc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001130851070 1281232341 /nfs/dbraw/zinc/23/23/41/1281232341.db2.gz ATCMIPNUOVBDED-UHFFFAOYSA-N -1 0 326.765 2.956 10 5 EFBERM Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC001147696089 1281237283 /nfs/dbraw/zinc/23/72/83/1281237283.db2.gz QUDNECJJJOBTBJ-UHFFFAOYSA-N -1 0 339.351 2.765 10 5 EFBERM C[C@H]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000808078991 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Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1C ZINC001629546143 1100222004 /nfs/dbraw/zinc/22/20/04/1100222004.db2.gz SRYSPEBLCRRIST-UHFFFAOYSA-N -1 0 335.747 2.896 10 5 EFBERM COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001629742965 1100243498 /nfs/dbraw/zinc/24/34/98/1100243498.db2.gz QYOCHUCAMMGXJX-JTQLQIEISA-N -1 0 344.323 2.829 10 5 EFBERM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nncn1-c1ccccc1 ZINC001630881428 1100348232 /nfs/dbraw/zinc/34/82/32/1100348232.db2.gz IJRYGHGQEPOHRG-UHFFFAOYSA-N -1 0 341.302 2.875 10 5 EFBERM Cc1[nH]nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1Cl ZINC001631565252 1100410880 /nfs/dbraw/zinc/41/08/80/1100410880.db2.gz OGINOLFGVUMEKA-UHFFFAOYSA-N -1 0 331.115 2.891 10 5 EFBERM O=C(N[C@@H](CO)C1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001632539987 1100482108 /nfs/dbraw/zinc/48/21/08/1100482108.db2.gz AVMJEGBTGLROSZ-LBPRGKRZSA-N -1 0 342.779 2.625 10 5 EFBERM Cn1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC001633105814 1100523040 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1100769975 /nfs/dbraw/zinc/76/99/75/1100769975.db2.gz PWKOJZNFPMLMIL-SECBINFHSA-N -1 0 326.312 2.919 10 5 EFBERM CCC1(CC)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](C)[C@H]1OC ZINC001637561299 1100789400 /nfs/dbraw/zinc/78/94/00/1100789400.db2.gz IXTNFTUKFNEDJX-COLVAYQJSA-N -1 0 336.388 2.870 10 5 EFBERM COc1cc(F)cc(C[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001637812510 1100807939 /nfs/dbraw/zinc/80/79/39/1100807939.db2.gz GESCHZYVMPFNIW-SNVBAGLBSA-N -1 0 348.330 2.809 10 5 EFBERM CC(=O)c1cc(F)c([O-])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC001638876729 1100893755 /nfs/dbraw/zinc/89/37/55/1100893755.db2.gz BKPXQWJPUBLYRQ-UHFFFAOYSA-N -1 0 348.286 2.660 10 5 EFBERM COC(=O)[C@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001639070948 1100909710 /nfs/dbraw/zinc/90/97/10/1100909710.db2.gz MYCXEVRTXYODKG-SNVBAGLBSA-N -1 0 344.323 2.829 10 5 EFBERM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001640646508 1101067991 /nfs/dbraw/zinc/06/79/91/1101067991.db2.gz 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O=C(N[C@@H]1COCc2ccccc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001643072819 1101268841 /nfs/dbraw/zinc/26/88/41/1101268841.db2.gz NVVXBWAXECNORE-CYBMUJFWSA-N -1 0 348.742 2.955 10 5 EFBERM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)c1ccccc1 ZINC001643376566 1101293836 /nfs/dbraw/zinc/29/38/36/1101293836.db2.gz WXXCXTGSXZMUID-ZDUSSCGKSA-N -1 0 328.324 2.692 10 5 EFBERM COc1cccc(C([O-])=CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001643509982 1101304701 /nfs/dbraw/zinc/30/47/01/1101304701.db2.gz ZPDXWAWEDYKTNU-UHFFFAOYSA-N -1 0 349.364 2.568 10 5 EFBERM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000784935321 1101362452 /nfs/dbraw/zinc/36/24/52/1101362452.db2.gz UATMJAVYNFSNKC-UHFFFAOYSA-N -1 0 337.313 2.780 10 5 EFBERM COc1c(Cl)cccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001652926420 1101565509 /nfs/dbraw/zinc/56/55/09/1101565509.db2.gz YLSOBSFDMMFJRP-UHFFFAOYSA-N -1 0 336.731 2.892 10 5 EFBERM O=C(N[C@H]1CCCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001653095143 1101585514 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AJINJSQDWWSKQZ-WFASDCNBSA-N -1 0 342.351 2.903 10 5 EFBERM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280880110 273377092 /nfs/dbraw/zinc/37/70/92/273377092.db2.gz FWQMHWMCTDMHHN-LRDDRELGSA-N -1 0 342.351 2.903 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000280967595 273386582 /nfs/dbraw/zinc/38/65/82/273386582.db2.gz LBNJNYHDHLINJC-UHFFFAOYSA-N -1 0 338.389 2.561 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000281304951 273421719 /nfs/dbraw/zinc/42/17/19/273421719.db2.gz RRFHSDLMJRLIJK-GFCCVEGCSA-N -1 0 334.353 2.576 10 5 EFBERM C[C@@]12CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000286121341 274137828 /nfs/dbraw/zinc/13/78/28/274137828.db2.gz GVEVVAUORLPKHW-GXFFZTMASA-N -1 0 345.182 2.956 10 5 EFBERM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339041544 277375428 /nfs/dbraw/zinc/37/54/28/277375428.db2.gz YIKKWGDKLDJPGP-KRWDZBQOSA-N -1 0 342.351 2.573 10 5 EFBERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000056958557 278417675 /nfs/dbraw/zinc/41/76/75/278417675.db2.gz GSPFANURARKSQW-STQMWFEESA-N -1 0 336.344 2.630 10 5 EFBERM CCc1nccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179484437 288642215 /nfs/dbraw/zinc/64/22/15/288642215.db2.gz FAVGWOWPICTYSN-ZDUSSCGKSA-N -1 0 344.371 2.537 10 5 EFBERM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000069436777 292709995 /nfs/dbraw/zinc/70/99/95/292709995.db2.gz HCSWDDDDLMYPKR-UHFFFAOYSA-N -1 0 333.325 2.528 10 5 EFBERM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000126394211 293036965 /nfs/dbraw/zinc/03/69/65/293036965.db2.gz AGHXFLFTPLQFHZ-UHFFFAOYSA-N -1 0 344.780 2.725 10 5 EFBERM Cc1ccc(OCCN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130333377 293161965 /nfs/dbraw/zinc/16/19/65/293161965.db2.gz WYFVSMQSFHALPO-UHFFFAOYSA-N -1 0 330.340 2.760 10 5 EFBERM CCOc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000132190110 293220751 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CO[C@@H](C)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000518982282 315837943 /nfs/dbraw/zinc/83/79/43/315837943.db2.gz STDDNNLQFIQNKP-VIFPVBQESA-N -1 0 330.768 2.839 10 5 EFBERM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000519601201 315880074 /nfs/dbraw/zinc/88/00/74/315880074.db2.gz FTQUYNUYMLGRRS-GXSJLCMTSA-N -1 0 336.266 2.715 10 5 EFBERM CC(C)n1ncc2cc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cnc21 ZINC000551903963 318224056 /nfs/dbraw/zinc/22/40/56/318224056.db2.gz JAKMQIFZWVZJGN-UHFFFAOYSA-N -1 0 341.327 2.878 10 5 EFBERM C[C@](O)(C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000555427732 318356420 /nfs/dbraw/zinc/35/64/20/318356420.db2.gz KCDBVQZSRKJBIP-AWEZNQCLSA-N -1 0 348.321 2.826 10 5 EFBERM O=C(NCc1cccc(N2CC=CC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560518251 318562291 /nfs/dbraw/zinc/56/22/91/318562291.db2.gz BJFYVHNVVGXVJO-UHFFFAOYSA-N -1 0 339.351 2.607 10 5 EFBERM CC1(C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000566071430 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CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]n1 ZINC000159965758 473077661 /nfs/dbraw/zinc/07/76/61/473077661.db2.gz AACJOUNPUDTKJR-UHFFFAOYSA-N -1 0 330.391 2.523 10 5 EFBERM Cc1sc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000123314094 473125941 /nfs/dbraw/zinc/12/59/41/473125941.db2.gz PLVDJDDWTLLFLT-VXGBXAGGSA-N -1 0 338.410 2.799 10 5 EFBERM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164550041 473492225 /nfs/dbraw/zinc/49/22/25/473492225.db2.gz JLKRFRUERLOLMW-CYBMUJFWSA-N -1 0 344.371 2.628 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000164654499 473496000 /nfs/dbraw/zinc/49/60/00/473496000.db2.gz SGUCMCREOZBQOU-LLVKDONJSA-N -1 0 333.369 2.777 10 5 EFBERM CCCn1nccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000178419733 473509774 /nfs/dbraw/zinc/50/97/74/473509774.db2.gz DGKCXLKNLUDZJC-UHFFFAOYSA-N -1 0 338.389 2.619 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000172092022 473520728 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346.383 2.690 10 5 EFBERM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncccc2F)c1C ZINC000180260525 473841080 /nfs/dbraw/zinc/84/10/80/473841080.db2.gz GSPZSJKEOUSVJI-UHFFFAOYSA-N -1 0 325.321 2.547 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000188093482 473980051 /nfs/dbraw/zinc/98/00/51/473980051.db2.gz OSNDHXOZLVZBSB-CQSZACIVSA-N -1 0 334.353 2.576 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000188108043 473984222 /nfs/dbraw/zinc/98/42/22/473984222.db2.gz UMIKGDVQARZTQQ-NHYWBVRUSA-N -1 0 346.339 2.622 10 5 EFBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000182111162 474101508 /nfs/dbraw/zinc/10/15/08/474101508.db2.gz QEIOWJIUOQSMBX-CYBMUJFWSA-N -1 0 334.353 2.576 10 5 EFBERM Cc1noc2nc(C)cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c12 ZINC000183898559 474444118 /nfs/dbraw/zinc/44/41/18/474444118.db2.gz CAXAGFYOSDIZRE-UHFFFAOYSA-N -1 0 328.284 2.706 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000183905802 474444361 /nfs/dbraw/zinc/44/43/61/474444361.db2.gz AUKLOWOONBARJP-NSHDSACASA-N -1 0 345.286 2.504 10 5 EFBERM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000338902951 474718179 /nfs/dbraw/zinc/71/81/79/474718179.db2.gz SXWPWRJYPFTWML-CQSZACIVSA-N -1 0 330.340 2.572 10 5 EFBERM C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000339073963 474901307 /nfs/dbraw/zinc/90/13/07/474901307.db2.gz CTWVBRZCPROWOW-LBPRGKRZSA-N -1 0 339.355 2.732 10 5 EFBERM C[S@](=O)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073464 474901396 /nfs/dbraw/zinc/90/13/96/474901396.db2.gz YZHLZIZPTGMYCY-WNSKOXEYSA-N -1 0 334.397 2.510 10 5 EFBERM O=C(Nc1ccc(N2CCCC2)nc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000339245913 475077346 /nfs/dbraw/zinc/07/73/46/475077346.db2.gz ISBPZMKCWQQTPZ-UHFFFAOYSA-N -1 0 328.328 2.548 10 5 EFBERM C[C@@H](O)C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000281124158 475080282 /nfs/dbraw/zinc/08/02/82/475080282.db2.gz 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CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354713421 475353350 /nfs/dbraw/zinc/35/33/50/475353350.db2.gz ITDPUCLSFVRKNI-ZBFHGGJFSA-N -1 0 342.351 2.985 10 5 EFBERM CC(C)(C)Oc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000354726122 475361993 /nfs/dbraw/zinc/36/19/93/475361993.db2.gz CTHZISBVGGKWKJ-UHFFFAOYSA-N -1 0 345.355 2.803 10 5 EFBERM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346375461 475590267 /nfs/dbraw/zinc/59/02/67/475590267.db2.gz KFCSYPVPVCRPCM-LLVKDONJSA-N -1 0 328.324 2.692 10 5 EFBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000339958766 475641361 /nfs/dbraw/zinc/64/13/61/475641361.db2.gz LRGXOQAWTYCVMF-UHFFFAOYSA-N -1 0 338.323 2.867 10 5 EFBERM COc1cc(C)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000348505498 475706545 /nfs/dbraw/zinc/70/65/45/475706545.db2.gz HNCJZBXRGHAQNR-UHFFFAOYSA-N -1 0 332.312 2.878 10 5 EFBERM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343072422 475743239 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EFBERM COc1cc(Cl)ccc1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000355570420 476040203 /nfs/dbraw/zinc/04/02/03/476040203.db2.gz STXQJTDWODTGEW-UHFFFAOYSA-N -1 0 336.731 2.892 10 5 EFBERM CO[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000353723763 476218680 /nfs/dbraw/zinc/21/86/80/476218680.db2.gz UPVXJSOHADZRMC-OAHLLOKOSA-N -1 0 334.303 2.557 10 5 EFBERM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000360616085 476317955 /nfs/dbraw/zinc/31/79/55/476317955.db2.gz DOJKXBGFYOPFQP-LURJTMIESA-N -1 0 339.200 2.978 10 5 EFBERM C[C@]1(c2ccccc2)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000368601093 476359989 /nfs/dbraw/zinc/35/99/89/476359989.db2.gz DZKFDWRRRGRFNW-GOSISDBHSA-N -1 0 342.351 2.688 10 5 EFBERM CC(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccnc1 ZINC000354011914 476363101 /nfs/dbraw/zinc/36/31/01/476363101.db2.gz WWFWNZVSRJCSCF-HNNXBMFYSA-N -1 0 329.356 2.865 10 5 EFBERM Cn1c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000362870009 476454456 /nfs/dbraw/zinc/45/44/56/476454456.db2.gz YPKGKXGPZKMQDD-UHFFFAOYSA-N -1 0 330.275 2.579 10 5 EFBERM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000354196719 476494219 /nfs/dbraw/zinc/49/42/19/476494219.db2.gz XHYLYDLZYFITEY-JTQLQIEISA-N -1 0 334.303 2.637 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(OC2CCCC2)CC1 ZINC000377661468 476505670 /nfs/dbraw/zinc/50/56/70/476505670.db2.gz GIBCVJXEQAJATJ-UHFFFAOYSA-N -1 0 334.372 2.864 10 5 EFBERM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000369901906 476581215 /nfs/dbraw/zinc/58/12/15/476581215.db2.gz IJBBMDFGCVAVDH-RHSMWYFYSA-N -1 0 342.351 2.808 10 5 EFBERM Cc1nc([C@@H]2CCCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000357766816 476587614 /nfs/dbraw/zinc/58/76/14/476587614.db2.gz JAIRAWAQQWTNPJ-AWEZNQCLSA-N -1 0 346.343 2.749 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC=C(c2ccncc2)C1 ZINC000354329082 476590017 /nfs/dbraw/zinc/59/00/17/476590017.db2.gz PPOMSRDKQDTEII-UHFFFAOYSA-N -1 0 325.324 2.625 10 5 EFBERM COc1ccc([C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)cc1 ZINC000370202926 476694677 /nfs/dbraw/zinc/69/46/77/476694677.db2.gz DGAAOXHFNGPTLO-CYBMUJFWSA-N -1 0 342.351 2.939 10 5 EFBERM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445701011 476760168 /nfs/dbraw/zinc/76/01/68/476760168.db2.gz ZWKFBRSXLYENBL-SSDOTTSWSA-N -1 0 346.352 2.912 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000370459313 476819888 /nfs/dbraw/zinc/81/98/88/476819888.db2.gz HQEPUFCUHYAHNX-HNNXBMFYSA-N -1 0 346.314 2.653 10 5 EFBERM O=C(NC[C@@H]1CCOc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000370469862 476825863 /nfs/dbraw/zinc/82/58/63/476825863.db2.gz NNGVTGJJBSLEOI-NSHDSACASA-N -1 0 328.324 2.597 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000370599381 476888005 /nfs/dbraw/zinc/88/80/05/476888005.db2.gz XESNYGICPRUPOS-CYBMUJFWSA-N -1 0 327.340 2.627 10 5 EFBERM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc([O-])c1[N+](=O)[O-] ZINC000366559569 477069150 /nfs/dbraw/zinc/06/91/50/477069150.db2.gz NTOGGASPCRGXDW-CZUORRHYSA-N -1 0 342.351 2.951 10 5 EFBERM O=C(N=c1cc(CC2CCCCC2)[nH][nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000431723960 477082165 /nfs/dbraw/zinc/08/21/65/477082165.db2.gz QYOLSPBULHDLGG-UHFFFAOYSA-N -1 0 344.371 2.821 10 5 EFBERM O=C(NCCc1cccc2[nH]ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436508047 477498667 /nfs/dbraw/zinc/49/86/67/477498667.db2.gz BSSKJLSEBKBDIV-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436567233 477517033 /nfs/dbraw/zinc/51/70/33/477517033.db2.gz YSZAQVWQMYVILB-SECBINFHSA-N -1 0 347.274 2.790 10 5 EFBERM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436570066 477518667 /nfs/dbraw/zinc/51/86/67/477518667.db2.gz MEWUVEPCVQLGQN-VIFPVBQESA-N -1 0 347.274 2.790 10 5 EFBERM O=[N+]([O-])c1ccc(CCCCN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000413158045 477545458 /nfs/dbraw/zinc/54/54/58/477545458.db2.gz VCRHORFZNAYCBG-UHFFFAOYSA-N -1 0 346.387 2.729 10 5 EFBERM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436673028 477553772 /nfs/dbraw/zinc/55/37/72/477553772.db2.gz IFMAYHLZHAYKAZ-SNVBAGLBSA-N -1 0 346.339 2.809 10 5 EFBERM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436797387 477592205 /nfs/dbraw/zinc/59/22/05/477592205.db2.gz FQFALBUNJUQRRE-PBHICJAKSA-N -1 0 342.351 2.951 10 5 EFBERM Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(C)c1O ZINC000436840980 477609586 /nfs/dbraw/zinc/60/95/86/477609586.db2.gz QRNHYHLNTQEKCL-UHFFFAOYSA-N -1 0 330.340 2.595 10 5 EFBERM COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC000436892170 477627821 /nfs/dbraw/zinc/62/78/21/477627821.db2.gz IFSOBAOOZKPLCE-UHFFFAOYSA-N -1 0 346.314 2.647 10 5 EFBERM COc1ccc(OC)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436936459 477641030 /nfs/dbraw/zinc/64/10/30/477641030.db2.gz TVKYUQOBSXEEFL-JTQLQIEISA-N -1 0 346.339 2.809 10 5 EFBERM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)nc1 ZINC000436940487 477643445 /nfs/dbraw/zinc/64/34/45/477643445.db2.gz AVDNXAQPHBPIAF-UHFFFAOYSA-N -1 0 332.703 2.990 10 5 EFBERM COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1 ZINC000436951942 477644867 /nfs/dbraw/zinc/64/48/67/477644867.db2.gz HJECXZULASRFLK-UHFFFAOYSA-N -1 0 346.339 2.590 10 5 EFBERM COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000436970589 477652093 /nfs/dbraw/zinc/65/20/93/477652093.db2.gz FAYLAIKRQGVFSU-AWEZNQCLSA-N -1 0 334.303 2.557 10 5 EFBERM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436985038 477658841 /nfs/dbraw/zinc/65/88/41/477658841.db2.gz BTEKJMUYADAQPT-CQSZACIVSA-N -1 0 328.324 2.781 10 5 EFBERM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000427633552 477775297 /nfs/dbraw/zinc/77/52/97/477775297.db2.gz KJTBXOBXHPKPKC-UHFFFAOYSA-N -1 0 332.341 2.580 10 5 EFBERM O=C([O-])c1c(NS(=O)(=O)CCC2CCCC2)cccc1[N+](=O)[O-] ZINC000562643636 478296235 /nfs/dbraw/zinc/29/62/35/478296235.db2.gz NRQVRRJRKPISFZ-UHFFFAOYSA-N -1 0 342.373 2.615 10 5 EFBERM CCc1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cc1[N+](=O)[O-] ZINC000600227020 478297432 /nfs/dbraw/zinc/29/74/32/478297432.db2.gz HWQSSYLZKLFKRJ-UHFFFAOYSA-N -1 0 332.385 2.734 10 5 EFBERM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600303655 478328684 /nfs/dbraw/zinc/32/86/84/478328684.db2.gz ZPBBXNUYPZSBOE-MRXNPFEDSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600303258 478329010 /nfs/dbraw/zinc/32/90/10/478329010.db2.gz WQTADNQFILTUHP-INIZCTEOSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000594405867 478367520 /nfs/dbraw/zinc/36/75/20/478367520.db2.gz AWTKYXLCOMLHES-VXGBXAGGSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594410992 478370179 /nfs/dbraw/zinc/37/01/79/478370179.db2.gz FPOMFSBURYDTMO-CABZTGNLSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594412546 478371071 /nfs/dbraw/zinc/37/10/71/478371071.db2.gz PGOSKAWFRJSHPQ-BXKDBHETSA-N -1 0 348.277 2.530 10 5 EFBERM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594413265 478371113 /nfs/dbraw/zinc/37/11/13/478371113.db2.gz BUSVMBHSFPCOGN-GFCCVEGCSA-N -1 0 334.372 2.864 10 5 EFBERM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000594411603 478371819 /nfs/dbraw/zinc/37/18/19/478371819.db2.gz JRNVFVPYKMYSTO-CABZTGNLSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000594411932 478371889 /nfs/dbraw/zinc/37/18/89/478371889.db2.gz LRCBRIWDAOGKLK-KCJUWKMLSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590883998 478384379 /nfs/dbraw/zinc/38/43/79/478384379.db2.gz LXKWZWKTMYFFES-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM Cc1c(CNC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000590899496 478389344 /nfs/dbraw/zinc/38/93/44/478389344.db2.gz FPPIPGCJFBKNSV-CQSZACIVSA-N -1 0 337.376 2.544 10 5 EFBERM CCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000600670440 478461081 /nfs/dbraw/zinc/46/10/81/478461081.db2.gz USKOVXOXOUUZSG-UHFFFAOYSA-N -1 0 338.389 2.537 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000597690932 478466014 /nfs/dbraw/zinc/46/60/14/478466014.db2.gz HAKOGZUOWUJJAE-GFCCVEGCSA-N -1 0 327.340 2.715 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)ccc1[N+](=O)[O-] ZINC000594697379 478501217 /nfs/dbraw/zinc/50/12/17/478501217.db2.gz VIRSKRDRQXSXPN-UHFFFAOYSA-N -1 0 348.380 2.777 10 5 EFBERM O=C([O-])C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000594735254 478520870 /nfs/dbraw/zinc/52/08/70/478520870.db2.gz IVRWNFWGWMVQCV-QMMMGPOBSA-N -1 0 333.266 2.921 10 5 EFBERM COc1cccc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000594735564 478522038 /nfs/dbraw/zinc/52/20/38/478522038.db2.gz JJHHINJGHSEWBE-BDAKNGLRSA-N -1 0 348.277 2.693 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000594743044 478526788 /nfs/dbraw/zinc/52/67/88/478526788.db2.gz PWCDOSYVJMNHSH-JHJVBQTASA-N -1 0 339.417 2.627 10 5 EFBERM Cc1cc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)s1 ZINC000594746437 478527386 /nfs/dbraw/zinc/52/73/86/478527386.db2.gz PVOLCSFZCSWSAB-VIFPVBQESA-N -1 0 341.414 2.708 10 5 EFBERM CCC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594746068 478527663 /nfs/dbraw/zinc/52/76/63/478527663.db2.gz XQDMJTRGBFPFGO-ZDUSSCGKSA-N -1 0 335.385 2.810 10 5 EFBERM CC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594752861 478530525 /nfs/dbraw/zinc/53/05/25/478530525.db2.gz OZRIOILDQAXXMK-GFCCVEGCSA-N -1 0 327.406 2.627 10 5 EFBERM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760788 478534834 /nfs/dbraw/zinc/53/48/34/478534834.db2.gz TUYOAQYYQBNMIC-NWDGAFQWSA-N -1 0 327.406 2.627 10 5 EFBERM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600868193 478545221 /nfs/dbraw/zinc/54/52/21/478545221.db2.gz GLOURTJBWXRSCH-KRWDZBQOSA-N -1 0 346.383 2.730 10 5 EFBERM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000600871577 478546270 /nfs/dbraw/zinc/54/62/70/478546270.db2.gz ANJOKYPAKKCBRY-GTNSWQLSSA-N -1 0 346.339 2.798 10 5 EFBERM CC1(C)CCC[C@@](NC(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000600869960 478546679 /nfs/dbraw/zinc/54/66/79/478546679.db2.gz OTHZZNYJWPAUFH-KRWDZBQOSA-N -1 0 334.372 2.677 10 5 EFBERM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600872511 478546698 /nfs/dbraw/zinc/54/66/98/478546698.db2.gz CPEWVBYCUDJEEI-MELADBBJSA-N -1 0 332.356 2.619 10 5 EFBERM C[C@](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872528 478546744 /nfs/dbraw/zinc/54/67/44/478546744.db2.gz CWMYQUQRYYFEGX-IIDMSEBBSA-N -1 0 346.383 2.837 10 5 EFBERM C[C@](NC(=O)[C@H]1CC12CCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874004 478547244 /nfs/dbraw/zinc/54/72/44/478547244.db2.gz IAIATOGNXQNHIN-CZUORRHYSA-N -1 0 332.356 2.591 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000600873907 478547930 /nfs/dbraw/zinc/54/79/30/478547930.db2.gz IHNATMPJRXKVMV-HNNXBMFYSA-N -1 0 344.323 2.629 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000600873908 478548014 /nfs/dbraw/zinc/54/80/14/478548014.db2.gz IHNATMPJRXKVMV-OAHLLOKOSA-N -1 0 344.323 2.629 10 5 EFBERM Cc1cc(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC000600875763 478549029 /nfs/dbraw/zinc/54/90/29/478549029.db2.gz MYQIQIPGLAFGJD-INIZCTEOSA-N -1 0 332.312 2.534 10 5 EFBERM CC(C)CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000597869966 478552248 /nfs/dbraw/zinc/55/22/48/478552248.db2.gz JZAYIBJGKXKYPW-UHFFFAOYSA-N -1 0 336.373 2.993 10 5 EFBERM CC(C)CCc1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000597869441 478552299 /nfs/dbraw/zinc/55/22/99/478552299.db2.gz HLPPAWUEFVYTGL-UHFFFAOYSA-N -1 0 326.403 2.771 10 5 EFBERM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccs3)C2)c1 ZINC000571566831 478626596 /nfs/dbraw/zinc/62/65/96/478626596.db2.gz XJWKXJYZPBOUGC-CYBMUJFWSA-N -1 0 334.353 2.932 10 5 EFBERM C[C@@H]1COC2(CCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598048540 478632642 /nfs/dbraw/zinc/63/26/42/478632642.db2.gz PYHCDVMFRLXNPL-SECBINFHSA-N -1 0 340.763 2.737 10 5 EFBERM C[C@](CCF)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000595251897 478702451 /nfs/dbraw/zinc/70/24/51/478702451.db2.gz PFMJFAZQNUBXDC-CQSZACIVSA-N -1 0 340.332 2.742 10 5 EFBERM CC(C)c1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595252916 478703125 /nfs/dbraw/zinc/70/31/25/478703125.db2.gz RVZCPRIRVIUDRP-HNNXBMFYSA-N -1 0 326.324 2.651 10 5 EFBERM CSc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000595251953 478703433 /nfs/dbraw/zinc/70/34/33/478703433.db2.gz QLKYEWVCTFNDQX-LLVKDONJSA-N 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Cc1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034322 478891275 /nfs/dbraw/zinc/89/12/75/478891275.db2.gz DTIIZXXOUWGBKC-YUELXQCFSA-N -1 0 334.372 2.731 10 5 EFBERM C[C@]1(c2ccccc2)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000565035699 478892988 /nfs/dbraw/zinc/89/29/88/478892988.db2.gz OPJFGQGUAPKFFI-KRWDZBQOSA-N -1 0 327.340 2.856 10 5 EFBERM CCCN(CCc1ccccn1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038445 478893263 /nfs/dbraw/zinc/89/32/63/478893263.db2.gz MYVQHCDETCHDHY-UHFFFAOYSA-N -1 0 330.344 2.542 10 5 EFBERM O=C(NCCCOCCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507152073 478907283 /nfs/dbraw/zinc/90/72/83/478907283.db2.gz ONAQVADIHNMGTM-UHFFFAOYSA-N -1 0 344.367 2.680 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](c2ccncc2)C1 ZINC000572779241 478918167 /nfs/dbraw/zinc/91/81/67/478918167.db2.gz FPDRPLOGEYCBDV-ZDUSSCGKSA-N -1 0 327.340 2.715 10 5 EFBERM Cc1ccnc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c1 ZINC000565210266 478951046 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344.336 2.728 10 5 EFBERM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C ZINC000596049653 479107243 /nfs/dbraw/zinc/10/72/43/479107243.db2.gz FMCJSXUBOIDYNG-UHFFFAOYSA-N -1 0 343.386 2.559 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000592981073 479114340 /nfs/dbraw/zinc/11/43/40/479114340.db2.gz IHUBHJNFGAPHAO-UHFFFAOYSA-N -1 0 345.355 2.725 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596068689 479118771 /nfs/dbraw/zinc/11/87/71/479118771.db2.gz YGNHDHZVEOTCLS-CYBMUJFWSA-N -1 0 335.360 2.780 10 5 EFBERM C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000515301294 479142936 /nfs/dbraw/zinc/14/29/36/479142936.db2.gz FGVJWRCQYNKIPP-GXSJLCMTSA-N -1 0 341.795 2.509 10 5 EFBERM C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000515301297 479143234 /nfs/dbraw/zinc/14/32/34/479143234.db2.gz FGVJWRCQYNKIPP-ONGXEEELSA-N -1 0 341.795 2.509 10 5 EFBERM Cc1cccc(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c1 ZINC000610883786 479222618 /nfs/dbraw/zinc/22/26/18/479222618.db2.gz TWIJKARIMOBNEI-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)c1 ZINC000585119452 479291654 /nfs/dbraw/zinc/29/16/54/479291654.db2.gz IANQGTHODVZLIM-UHFFFAOYSA-N -1 0 343.748 2.914 10 5 EFBERM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000593328663 479298386 /nfs/dbraw/zinc/29/83/86/479298386.db2.gz ZSNOIUVVEHQOOS-ZDUSSCGKSA-N -1 0 345.355 2.868 10 5 EFBERM O=C([O-])C1CCC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000574760287 479343962 /nfs/dbraw/zinc/34/39/62/479343962.db2.gz ZNHGOEULWKYMHC-UHFFFAOYSA-N -1 0 332.356 2.765 10 5 EFBERM Cc1cccc(CC2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000586795226 479354995 /nfs/dbraw/zinc/35/49/95/479354995.db2.gz DXXSRQMXCMKVBW-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCCC2(F)F)s1 ZINC000588040149 479386767 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2.662 10 5 EFBERM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCCNc2ccccn2)c1 ZINC000576110883 479542215 /nfs/dbraw/zinc/54/22/15/479542215.db2.gz APUVCCXUHMGJGP-UHFFFAOYSA-N -1 0 330.344 2.992 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590555976 479658967 /nfs/dbraw/zinc/65/89/67/479658967.db2.gz CJGLTGFNBQKDME-OAHLLOKOSA-N -1 0 340.335 2.847 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590556763 479659422 /nfs/dbraw/zinc/65/94/22/479659422.db2.gz OQTQWXRUUUXPDO-INIZCTEOSA-N -1 0 340.335 2.847 10 5 EFBERM CSc1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610657407 480356662 /nfs/dbraw/zinc/35/66/62/480356662.db2.gz NWFHKLOFJYGHHO-UHFFFAOYSA-N -1 0 331.400 2.574 10 5 EFBERM CC(C)C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])C(=O)[O-] ZINC000232604312 519211557 /nfs/dbraw/zinc/21/15/57/519211557.db2.gz QCRNTOZARHVYNB-QMMMGPOBSA-N -1 0 346.181 2.911 10 5 EFBERM Cc1noc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000131315372 534434319 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WHPHRCVIOXHGPP-APPDUMDISA-N -1 0 342.351 2.765 10 5 EFBERM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1 ZINC000082353810 527394575 /nfs/dbraw/zinc/39/45/75/527394575.db2.gz PGFVZGBPCVHZFU-UHFFFAOYSA-N -1 0 334.353 2.721 10 5 EFBERM CCCc1nc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)s[n-]1 ZINC000342884084 535476379 /nfs/dbraw/zinc/47/63/79/535476379.db2.gz VKHJRYWRWQHQNG-UHFFFAOYSA-N -1 0 331.357 2.554 10 5 EFBERM CCCc1nc(=NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)s[n-]1 ZINC000347731792 535477054 /nfs/dbraw/zinc/47/70/54/535477054.db2.gz LWYLKYLACKCUNM-MRVPVSSYSA-N -1 0 338.364 2.702 10 5 EFBERM CCOCc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000346146887 535714799 /nfs/dbraw/zinc/71/47/99/535714799.db2.gz FTPIXKKZHHCKLJ-UHFFFAOYSA-N -1 0 330.340 2.767 10 5 EFBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC000253418960 536956930 /nfs/dbraw/zinc/95/69/30/536956930.db2.gz DSPSRSDUBKMOSR-UHFFFAOYSA-N -1 0 349.324 2.545 10 5 EFBERM Cc1cc(N[C@H]([C@@H](CO)C2CC2)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584617686 546369867 /nfs/dbraw/zinc/36/98/67/546369867.db2.gz ZXUSFRHUSOIGBZ-GJZGRUSLSA-N -1 0 334.372 2.810 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774103176 581483518 /nfs/dbraw/zinc/48/35/18/581483518.db2.gz YVBPMZGBEDUGTM-LLVKDONJSA-N -1 0 342.417 2.780 10 5 EFBERM C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774288352 581488850 /nfs/dbraw/zinc/48/88/50/581488850.db2.gz MPJSZUBBPUDLPG-SECBINFHSA-N -1 0 346.380 2.611 10 5 EFBERM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(C(F)(F)F)CCOCC1 ZINC000850141790 1250315001 /nfs/dbraw/zinc/31/50/01/1250315001.db2.gz BEXOEUQMXYUMSM-UHFFFAOYSA-N -1 0 349.261 2.703 10 5 EFBERM CC(C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136992028 1278417426 /nfs/dbraw/zinc/41/74/26/1278417426.db2.gz WVDKBBAHWALSIQ-HNNXBMFYSA-N -1 0 344.795 2.871 10 5 EFBERM Cc1ncc2c(n1)CCC[C@H]2Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844211360 1278814436 /nfs/dbraw/zinc/81/44/36/1278814436.db2.gz MMOANKJFNITORK-CYBMUJFWSA-N -1 0 328.328 2.881 10 5 EFBERM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000786516576 1275433459 /nfs/dbraw/zinc/43/34/59/1275433459.db2.gz BNPLWMGSHZRJBT-UHFFFAOYSA-N -1 0 342.417 2.925 10 5 EFBERM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)(F)F ZINC000786892735 1275569779 /nfs/dbraw/zinc/56/97/79/1275569779.db2.gz XSQZFOAVQLFPBB-JTQLQIEISA-N -1 0 344.286 2.599 10 5 EFBERM COC(=O)C(=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2cc[nH]c2n1 ZINC000788099603 1276021742 /nfs/dbraw/zinc/02/17/42/1276021742.db2.gz QQHSNHCJFXAEPP-WQLSENKSSA-N -1 0 339.307 2.890 10 5 EFBERM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788305943 1276121523 /nfs/dbraw/zinc/12/15/23/1276121523.db2.gz SNFGMNFFDWWWSH-MEDUHNTESA-N -1 0 330.340 2.542 10 5 EFBERM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000788283916 1276128175 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LOAITFUXMBQJAR-BLLLJJGKSA-N -1 0 344.367 2.885 10 5 EFBERM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000820124950 1277037275 /nfs/dbraw/zinc/03/72/75/1277037275.db2.gz LOAITFUXMBQJAR-LRDDRELGSA-N -1 0 344.367 2.885 10 5 EFBERM CC(C)(C)c1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1[N+](=O)[O-] ZINC000793012895 1279327934 /nfs/dbraw/zinc/32/79/34/1279327934.db2.gz AMJIGYXCNSWZIE-UHFFFAOYSA-N -1 0 349.387 2.821 10 5 EFBERM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000846714634 1280452551 /nfs/dbraw/zinc/45/25/51/1280452551.db2.gz BTHRNNKICLLBGS-AWEZNQCLSA-N -1 0 349.387 2.520 10 5 EFBERM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000805143857 1280457358 /nfs/dbraw/zinc/45/73/58/1280457358.db2.gz QLUQEECAUFIUBD-JTQLQIEISA-N -1 0 340.735 2.714 10 5 EFBERM Cn1cc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC001147696306 1281237827 /nfs/dbraw/zinc/23/78/27/1281237827.db2.gz WYTNFHRADKOXFF-UHFFFAOYSA-N -1 0 339.351 2.765 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc2c1CC(=O)CC2 ZINC000811000343 1283936444 /nfs/dbraw/zinc/93/64/44/1283936444.db2.gz CTTJPQPFXHQQLU-UHFFFAOYSA-N -1 0 326.308 2.611 10 5 EFBERM Cc1ccc([S@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC001179389998 1289135624 /nfs/dbraw/zinc/13/56/24/1289135624.db2.gz YYLRTWRNLDCKKX-QHCPKHFHSA-N -1 0 334.353 2.906 10 5 EFBERM CN(CC(=O)NCCC1=CCCCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001176423176 1287986268 /nfs/dbraw/zinc/98/62/68/1287986268.db2.gz SXXPJUFIMACDPM-UHFFFAOYSA-N -1 0 347.415 2.739 10 5 EFBERM O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001177346654 1288411986 /nfs/dbraw/zinc/41/19/86/1288411986.db2.gz OXLGLEGNWXLXCU-SKDRFNHKSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC001178539307 1288810314 /nfs/dbraw/zinc/81/03/14/1288810314.db2.gz JGZAJRPKLCRWNT-GOSISDBHSA-N -1 0 342.351 2.736 10 5 EFBERM O=C(N[C@@H](CCO)C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001179017832 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348.399 2.969 10 5 EFBERM O=C([N-]S(=O)(=O)C1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131146692 1293489056 /nfs/dbraw/zinc/48/90/56/1293489056.db2.gz ZLVIECBKZWQDPZ-UHFFFAOYSA-N -1 0 346.792 2.641 10 5 EFBERM CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000776198147 1296953921 /nfs/dbraw/zinc/95/39/21/1296953921.db2.gz UCCVLBFAKWYBIN-UHFFFAOYSA-N -1 0 341.323 2.782 10 5 EFBERM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856975 1299437305 /nfs/dbraw/zinc/43/73/05/1299437305.db2.gz JJEITDQSXLZASA-UHFFFAOYSA-N -1 0 340.323 2.694 10 5 EFBERM COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000852909799 1299934870 /nfs/dbraw/zinc/93/48/70/1299934870.db2.gz AKKIWMSHFJZPOM-SNVBAGLBSA-N -1 0 326.324 2.824 10 5 EFBERM COC(=O)/C=C/c1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000852912748 1299936781 /nfs/dbraw/zinc/93/67/81/1299936781.db2.gz FUORWCHVNMXRDA-STMXVASLSA-N -1 0 348.355 2.694 10 5 EFBERM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000854559214 1300620785 /nfs/dbraw/zinc/62/07/85/1300620785.db2.gz AUPDAJRHOQNBOL-PXAZEXFGSA-N -1 0 344.367 2.885 10 5 EFBERM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859323093 1301431545 /nfs/dbraw/zinc/43/15/45/1301431545.db2.gz SEWILOSCZHAHHY-UHFFFAOYSA-N -1 0 346.714 2.711 10 5 EFBERM CCCOc1cncc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000863448753 1302619380 /nfs/dbraw/zinc/61/93/80/1302619380.db2.gz BXFWLWPJTGSWLQ-UHFFFAOYSA-N -1 0 343.386 2.641 10 5 EFBERM CC(C)(CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)[O-] ZINC000864144814 1302794862 /nfs/dbraw/zinc/79/48/62/1302794862.db2.gz ARBIAORRFMIIHK-UHFFFAOYSA-N -1 0 330.340 2.979 10 5 EFBERM COc1ccc2c(c1)CCCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000794949885 1303800084 /nfs/dbraw/zinc/80/00/84/1303800084.db2.gz UQPFPDDFDSLEAZ-UHFFFAOYSA-N -1 0 328.324 2.902 10 5 EFBERM CC(C)(F)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867576493 1303864604 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O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CC2)Oc2ccccc21 ZINC001304757290 1324661481 /nfs/dbraw/zinc/66/14/81/1324661481.db2.gz KJQBGLQGPGOFFB-UHFFFAOYSA-N -1 0 326.308 2.872 10 5 EFBERM C[C@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCS1 ZINC001545723105 1372823824 /nfs/dbraw/zinc/82/38/24/1372823824.db2.gz MCYGHMBYRHWJJN-CYBMUJFWSA-N -1 0 330.793 2.969 10 5 EFBERM O=C(/C=C/C1CCOCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446825715 1391616286 /nfs/dbraw/zinc/61/62/86/1391616286.db2.gz BISTUSVUXSOQHM-OWOJBTEDSA-N -1 0 326.736 2.875 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001454367544 1392989886 /nfs/dbraw/zinc/98/98/86/1392989886.db2.gz ZOBULRQGQWRHQI-GFCCVEGCSA-N -1 0 328.324 2.636 10 5 EFBERM Cc1ccc([S@@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001456469697 1394698920 /nfs/dbraw/zinc/69/89/20/1394698920.db2.gz BAMBUNDLTNNEHJ-HSZRJFAPSA-N -1 0 334.353 2.906 10 5 EFBERM O=C(Nc1ccn(CC(F)F)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001465658708 1396700755 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ZINC001465560464 1396691060 /nfs/dbraw/zinc/69/10/60/1396691060.db2.gz SQMKOXKNZCMDGA-UONOGXRCSA-N -1 0 334.372 2.768 10 5 EFBERM C[C@@](O)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001546162286 1396849012 /nfs/dbraw/zinc/84/90/12/1396849012.db2.gz CWHCOPVZZHWUEL-HNNXBMFYSA-N -1 0 336.731 2.800 10 5 EFBERM O=C(NCc1ccccc1-c1ncc[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001468888444 1396990127 /nfs/dbraw/zinc/99/01/27/1396990127.db2.gz DJFCEBAIJWOERE-UHFFFAOYSA-N -1 0 338.323 2.621 10 5 EFBERM O=C(NC[C@@H]1CSc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469421393 1397031736 /nfs/dbraw/zinc/03/17/36/1397031736.db2.gz FXXQKHHZBSFROO-LLVKDONJSA-N -1 0 346.364 2.584 10 5 EFBERM O=C(Nc1nccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001470744578 1397116478 /nfs/dbraw/zinc/11/64/78/1397116478.db2.gz JOQDYALMXKHRFB-UHFFFAOYSA-N -1 0 338.117 2.710 10 5 EFBERM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cc(F)ccc1N(C)C ZINC001472432190 1397259819 /nfs/dbraw/zinc/25/98/19/1397259819.db2.gz LFBHQBMDBZZPIW-SNVBAGLBSA-N -1 0 347.346 2.997 10 5 EFBERM C=CC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001556081283 1415051545 /nfs/dbraw/zinc/05/15/45/1415051545.db2.gz PUTSTBQTHPPCSP-UHFFFAOYSA-N -1 0 327.296 2.677 10 5 EFBERM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC001556081430 1415051898 /nfs/dbraw/zinc/05/18/98/1415051898.db2.gz WMMLHLXZSRSJQK-QGZVFWFLSA-N -1 0 328.324 2.979 10 5 EFBERM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC001556081429 1415051948 /nfs/dbraw/zinc/05/19/48/1415051948.db2.gz WMMLHLXZSRSJQK-KRWDZBQOSA-N -1 0 328.324 2.979 10 5 EFBERM CC[C@@H](C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC001556689157 1415081932 /nfs/dbraw/zinc/08/19/32/1415081932.db2.gz LMORWIDJDRCZOD-PRHODGIISA-N -1 0 330.768 2.745 10 5 EFBERM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCc1ccccn1 ZINC001556952648 1415097836 /nfs/dbraw/zinc/09/78/36/1415097836.db2.gz WVJODCXYWDVMRQ-NSHDSACASA-N -1 0 333.369 2.718 10 5 EFBERM O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001557041696 1415103009 /nfs/dbraw/zinc/10/30/09/1415103009.db2.gz KGDHCHMRRJQYIQ-AWEZNQCLSA-N -1 0 341.323 2.504 10 5 EFBERM Cc1cccc(CONC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC001557718730 1415140182 /nfs/dbraw/zinc/14/01/82/1415140182.db2.gz INCWCEQQJBDXLR-UHFFFAOYSA-N -1 0 337.719 2.519 10 5 EFBERM C[C@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCO1 ZINC001558627864 1415192665 /nfs/dbraw/zinc/19/26/65/1415192665.db2.gz NGMLAVZJHXALIZ-CQSZACIVSA-N -1 0 328.752 2.643 10 5 EFBERM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CCO2 ZINC001558612190 1415192861 /nfs/dbraw/zinc/19/28/61/1415192861.db2.gz RQZLWKWXBWDKGZ-SNVBAGLBSA-N -1 0 328.324 2.726 10 5 EFBERM CCc1[nH]nc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1[N+](=O)[O-] ZINC001558644121 1415193342 /nfs/dbraw/zinc/19/33/42/1415193342.db2.gz VPBNRQRCSKCCEM-UHFFFAOYSA-N -1 0 328.687 2.631 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001558861927 1415207124 /nfs/dbraw/zinc/20/71/24/1415207124.db2.gz LXABBQWEQUOHEO-JTQLQIEISA-N -1 0 347.346 2.997 10 5 EFBERM Cc1ccc(O[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001566066905 1415499782 /nfs/dbraw/zinc/49/97/82/1415499782.db2.gz ZFIIHUFTBICSST-LBPRGKRZSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccn2nccc12 ZINC001566863262 1415803668 /nfs/dbraw/zinc/80/36/68/1415803668.db2.gz FKFWHGLUWLHERJ-UHFFFAOYSA-N -1 0 332.703 2.854 10 5 EFBERM O=C(Cc1ccc2c(c1)CCCO2)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001567229977 1416003093 /nfs/dbraw/zinc/00/30/93/1416003093.db2.gz PQDQWEUVXUCGCQ-UHFFFAOYSA-N -1 0 328.324 2.807 10 5 EFBERM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccon1 ZINC001567229009 1416003392 /nfs/dbraw/zinc/00/33/92/1416003392.db2.gz DFXIFDKYKAZWED-UHFFFAOYSA-N -1 0 342.311 2.948 10 5 EFBERM CC(C)NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179425524 717463740 /nfs/dbraw/zinc/46/37/40/717463740.db2.gz GCMZEASHMRQYQW-UHFFFAOYSA-N -1 0 343.339 2.691 10 5 EFBERM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000171332525 728530446 /nfs/dbraw/zinc/53/04/46/728530446.db2.gz YRNJEBKDZPWDGG-UHFFFAOYSA-N -1 0 340.401 2.543 10 5 EFBERM O=C([O-])/C=C/c1ccc(NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000920957501 729246395 /nfs/dbraw/zinc/24/63/95/729246395.db2.gz IPHCOOBKPWGCDC-MNDMWVCDSA-N -1 0 328.324 2.838 10 5 EFBERM O=C([O-])/C=C\c1ccc(NC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000920957500 729246515 /nfs/dbraw/zinc/24/65/15/729246515.db2.gz IPHCOOBKPWGCDC-GQSKFBFOSA-N -1 0 328.324 2.838 10 5 EFBERM O=C([O-])/C=C/c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC000920960911 729246949 /nfs/dbraw/zinc/24/69/49/729246949.db2.gz PTJXCSJHCRLQFI-FNORWQNLSA-N -1 0 338.323 2.952 10 5 EFBERM C[C@](NC(=O)C=C(C1CC1)C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864176801 939255970 /nfs/dbraw/zinc/25/59/70/939255970.db2.gz XSNFOGHZBORQOL-GOSISDBHSA-N -1 0 344.367 2.757 10 5 EFBERM 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2.835 10 5 EFBERM O=C(NC[C@@H]1CCCCS1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001597239323 1094572998 /nfs/dbraw/zinc/57/29/98/1094572998.db2.gz UTMRGSAFPNVDDF-VIFPVBQESA-N -1 0 330.793 2.969 10 5 EFBERM O=[N+]([O-])c1cccc(C([O-])=CS(=O)(=O)c2ccc(Cl)s2)c1 ZINC001613667754 1099104744 /nfs/dbraw/zinc/10/47/44/1099104744.db2.gz OTKXOHDCDCPBPO-UHFFFAOYSA-N -1 0 345.785 2.966 10 5 EFBERM COC(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC001626220219 1099150232 /nfs/dbraw/zinc/15/02/32/1099150232.db2.gz SMGDOEANDKOCQH-UHFFFAOYSA-N -1 0 336.325 2.709 10 5 EFBERM CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2cc(F)ccc21 ZINC001618272769 1099288285 /nfs/dbraw/zinc/28/82/85/1099288285.db2.gz FLHRPMCNACGVLQ-UHFFFAOYSA-N -1 0 345.330 2.926 10 5 EFBERM COc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001618698209 1099312843 /nfs/dbraw/zinc/31/28/43/1099312843.db2.gz YJYPNBXWVJIQSG-UHFFFAOYSA-N -1 0 336.731 2.892 10 5 EFBERM O=C(Nc1ccn2ccnc2c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001623368215 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ZINC001632568274 1100485177 /nfs/dbraw/zinc/48/51/77/1100485177.db2.gz IVUZDUOMOVMDOD-UHFFFAOYSA-N -1 0 348.742 2.819 10 5 EFBERM CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)[C@H]1OC ZINC001633021404 1100515866 /nfs/dbraw/zinc/51/58/66/1100515866.db2.gz UGFFHBKGEZERNZ-VCTAVGKDSA-N -1 0 336.388 2.870 10 5 EFBERM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001633356691 1100537776 /nfs/dbraw/zinc/53/77/76/1100537776.db2.gz XZVQFVMGXCYMJK-WDEREUQCSA-N -1 0 336.344 2.607 10 5 EFBERM Nc1c(F)c(Cl)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001633356204 1100538028 /nfs/dbraw/zinc/53/80/28/1100538028.db2.gz TUNNBAUXIRFPSD-UHFFFAOYSA-N -1 0 325.683 2.927 10 5 EFBERM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n[nH]c1C(F)(F)F ZINC001633356642 1100538441 /nfs/dbraw/zinc/53/84/41/1100538441.db2.gz XOMRDHRFMXXXPO-UHFFFAOYSA-N -1 0 330.222 2.603 10 5 EFBERM O=C(NCc1cc(C(F)F)on1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001634940421 1100637020 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O=C(NCC1(c2cccc(F)c2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343471618 142005018 /nfs/dbraw/zinc/00/50/18/142005018.db2.gz KUKKNWJORHUXAI-UHFFFAOYSA-N -1 0 330.315 2.901 10 5 EFBERM Cc1ccc(O[C@H](C)CNC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000343481482 142005969 /nfs/dbraw/zinc/00/59/69/142005969.db2.gz UISXURBCDKYCHW-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346037079 142137420 /nfs/dbraw/zinc/13/74/20/142137420.db2.gz WSDWWQPOBCRSRM-UHFFFAOYSA-N -1 0 344.323 2.691 10 5 EFBERM CCN(CC)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000346178178 142161634 /nfs/dbraw/zinc/16/16/34/142161634.db2.gz DEDCQWIGIKNMMD-UHFFFAOYSA-N -1 0 330.344 2.794 10 5 EFBERM O=C(NCc1cc(-c2ccccc2)no1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346200326 142166038 /nfs/dbraw/zinc/16/60/38/142166038.db2.gz QNRLDBCCAYCDIS-UHFFFAOYSA-N -1 0 339.307 2.885 10 5 EFBERM COc1cccc(F)c1[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346378117 142196343 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Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000342369485 145109909 /nfs/dbraw/zinc/10/99/09/145109909.db2.gz BQSKUNOMRXQYSF-UHFFFAOYSA-N -1 0 340.382 2.700 10 5 EFBERM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000342944123 145226542 /nfs/dbraw/zinc/22/65/42/145226542.db2.gz IFRDUAOUWMXJCE-VIFPVBQESA-N -1 0 326.312 2.668 10 5 EFBERM O=C(NCc1cc(-c2ccccc2)no1)c1cccc([O-])c1[N+](=O)[O-] ZINC000342948643 145227071 /nfs/dbraw/zinc/22/70/71/145227071.db2.gz XAWWQBOLOLVDMH-UHFFFAOYSA-N -1 0 339.307 2.885 10 5 EFBERM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000342950337 145227712 /nfs/dbraw/zinc/22/77/12/145227712.db2.gz HKTQLVDDUBLFLI-SECBINFHSA-N -1 0 330.296 2.520 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC=C(c2ccncc2)C1 ZINC000343629168 145256513 /nfs/dbraw/zinc/25/65/13/145256513.db2.gz QSIFDJPRVYROKQ-UHFFFAOYSA-N -1 0 325.324 2.625 10 5 EFBERM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1C(=O)N(C)C ZINC000343743411 145284378 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334.278 2.777 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600226466 478297642 /nfs/dbraw/zinc/29/76/42/478297642.db2.gz BZGVZLFMWIQEKV-UHFFFAOYSA-N -1 0 332.385 2.789 10 5 EFBERM COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC(F)(F)CC1 ZINC000597442537 478354948 /nfs/dbraw/zinc/35/49/48/478354948.db2.gz LVRZEUSHXNIOKU-UHFFFAOYSA-N -1 0 330.287 2.833 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594410993 478370290 /nfs/dbraw/zinc/37/02/90/478370290.db2.gz FPOMFSBURYDTMO-JOYOIKCWSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000594411031 478370337 /nfs/dbraw/zinc/37/03/37/478370337.db2.gz GGOGYWAWSSCJBY-LDYMZIIASA-N -1 0 348.277 2.530 10 5 EFBERM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC2(CCCCC2)O1 ZINC000594414578 478372599 /nfs/dbraw/zinc/37/25/99/478372599.db2.gz JEDSZNFOWNXVQC-LBPRGKRZSA-N -1 0 334.372 2.864 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC2(CCCCC2)O1 ZINC000594417804 478374722 /nfs/dbraw/zinc/37/47/22/478374722.db2.gz XYVKCLZJKILHPE-GFCCVEGCSA-N -1 0 334.372 2.864 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000590884042 478384863 /nfs/dbraw/zinc/38/48/63/478384863.db2.gz NOYIIZWQKMOSST-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM CCn1nc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000600670068 478460888 /nfs/dbraw/zinc/46/08/88/478460888.db2.gz LBZMJYDQXPDCGV-UHFFFAOYSA-N -1 0 344.780 2.574 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2cncc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000594725964 478515920 /nfs/dbraw/zinc/51/59/20/478515920.db2.gz ILKBACCLHDKAOI-UHFFFAOYSA-N -1 0 347.396 2.978 10 5 EFBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc3c2CCCC3)s1 ZINC000594727194 478516509 /nfs/dbraw/zinc/51/65/09/478516509.db2.gz ZSEHACXXNZPTES-UHFFFAOYSA-N -1 0 339.398 2.731 10 5 EFBERM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753667 478531849 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O=C(Nc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130357237 293162391 /nfs/dbraw/zinc/16/23/91/293162391.db2.gz SYADXLWADPRTSN-UHFFFAOYSA-N -1 0 328.328 2.548 10 5 EFBERM Cc1conc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000153467688 293377472 /nfs/dbraw/zinc/37/74/72/293377472.db2.gz ALKIPJBYODQKFL-UHFFFAOYSA-N -1 0 331.737 2.654 10 5 EFBERM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000155947395 293493761 /nfs/dbraw/zinc/49/37/61/293493761.db2.gz CRRWBOHYIRJKBN-NWDGAFQWSA-N -1 0 349.387 2.524 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(OCC(F)F)n1 ZINC000155983118 293495060 /nfs/dbraw/zinc/49/50/60/293495060.db2.gz QLMYJHJGJHBDBN-UHFFFAOYSA-N -1 0 339.254 2.592 10 5 EFBERM CC(C)COc1ncccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155993466 293495066 /nfs/dbraw/zinc/49/50/66/293495066.db2.gz SZEDWVYYXDJEGJ-UHFFFAOYSA-N -1 0 331.328 2.983 10 5 EFBERM CC1(C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000293679698 295026442 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CC(C)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594745472 478527329 /nfs/dbraw/zinc/52/73/29/478527329.db2.gz RNFUYTBVSJNHDC-CQSZACIVSA-N -1 0 335.385 2.665 10 5 EFBERM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594752975 478529799 /nfs/dbraw/zinc/52/97/99/478529799.db2.gz ZCYIGOYADALJMV-UHFFFAOYSA-N -1 0 349.412 2.554 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000594759627 478532724 /nfs/dbraw/zinc/53/27/24/478532724.db2.gz LSZFXJZRGGYWOW-UHFFFAOYSA-N -1 0 349.412 2.681 10 5 EFBERM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594759483 478532944 /nfs/dbraw/zinc/53/29/44/478532944.db2.gz LQLPYIXLHGZKRZ-UHFFFAOYSA-N -1 0 349.412 2.554 10 5 EFBERM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760786 478534575 /nfs/dbraw/zinc/53/45/75/478534575.db2.gz TUYOAQYYQBNMIC-NEPJUHHUSA-N -1 0 327.406 2.627 10 5 EFBERM C[C@](NC(=O)C1CCC2(CC2)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872380 478546982 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O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595280648 478711648 /nfs/dbraw/zinc/71/16/48/478711648.db2.gz SGOOAWAHMNOUET-CALCHBBNSA-N -1 0 332.356 2.690 10 5 EFBERM Cc1cc(N2C[C@]34COC[C@@]3(C2)CCCC4)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595280651 478712170 /nfs/dbraw/zinc/71/21/70/478712170.db2.gz SOVCKSQXTQZYPI-HDICACEKSA-N -1 0 346.383 2.998 10 5 EFBERM COc1nc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C(=O)[O-] ZINC000572004073 478728216 /nfs/dbraw/zinc/72/82/16/478728216.db2.gz XDFMJUFLHPDBCK-UHFFFAOYSA-N -1 0 343.339 2.866 10 5 EFBERM Cc1noc([C@H]2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000572003246 478728878 /nfs/dbraw/zinc/72/88/78/478728878.db2.gz KLJLLKLFRYRUAH-NSHDSACASA-N -1 0 346.343 2.677 10 5 EFBERM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595380756 478756086 /nfs/dbraw/zinc/75/60/86/478756086.db2.gz CTLYFFGJLPFKFI-UHFFFAOYSA-N -1 0 336.360 2.696 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598308752 478758691 /nfs/dbraw/zinc/75/86/91/478758691.db2.gz NXBSVSNMFHISSO-IUODEOHRSA-N -1 0 334.372 2.722 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598310615 478760841 /nfs/dbraw/zinc/76/08/41/478760841.db2.gz STQDOFMEMYOFDJ-WBMJQRKESA-N -1 0 334.372 2.722 10 5 EFBERM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)F ZINC000592067798 478762848 /nfs/dbraw/zinc/76/28/48/478762848.db2.gz RGJJDMMOOPORKT-ZETCQYMHSA-N -1 0 342.751 2.818 10 5 EFBERM O=C([O-])c1cc(NCCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000583145855 478775405 /nfs/dbraw/zinc/77/54/05/478775405.db2.gz ALLGKOUUBQYHRW-UHFFFAOYSA-N -1 0 328.328 2.615 10 5 EFBERM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])s1 ZINC000601309110 478778018 /nfs/dbraw/zinc/77/80/18/478778018.db2.gz MAYLDINUAHYSRU-UHFFFAOYSA-N -1 0 332.428 2.813 10 5 EFBERM CC(C)[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000598345499 478778942 /nfs/dbraw/zinc/77/89/42/478778942.db2.gz DTXLFAIWHLSWGT-SJORKVTESA-N -1 0 344.367 2.788 10 5 EFBERM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598378500 478795128 /nfs/dbraw/zinc/79/51/28/478795128.db2.gz JGGGHEPRBIHXLM-AWEZNQCLSA-N -1 0 341.367 2.651 10 5 EFBERM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000601400935 478820473 /nfs/dbraw/zinc/82/04/73/478820473.db2.gz AQUZNVXVDXKLOS-ZETCQYMHSA-N -1 0 332.325 2.584 10 5 EFBERM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601417330 478827425 /nfs/dbraw/zinc/82/74/25/478827425.db2.gz PCOGSLQOQXEFJA-MRVPVSSYSA-N -1 0 344.336 2.584 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601659205 478934046 /nfs/dbraw/zinc/93/40/46/478934046.db2.gz NFERXSQVBFAULZ-ZDUSSCGKSA-N -1 0 327.340 2.715 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(CC(F)(F)F)C1 ZINC000592775419 479037329 /nfs/dbraw/zinc/03/73/29/479037329.db2.gz FDTOFEXOBCZOKZ-UHFFFAOYSA-N -1 0 338.669 2.978 10 5 EFBERM Cc1cnc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000595975285 479085892 /nfs/dbraw/zinc/08/58/92/479085892.db2.gz ALDZHWWBSCYUHU-KGLIPLIRSA-N -1 0 327.340 2.603 10 5 EFBERM Cc1nc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595977393 479087977 /nfs/dbraw/zinc/08/79/77/479087977.db2.gz GGTXRZZMUMWMQC-KGLIPLIRSA-N -1 0 327.340 2.603 10 5 EFBERM CC(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000596001810 479091548 /nfs/dbraw/zinc/09/15/48/479091548.db2.gz GSOJOZJOOFXEIS-AWEZNQCLSA-N -1 0 334.372 2.949 10 5 EFBERM COCC[C@@H](Cc1ccco1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573567754 479094966 /nfs/dbraw/zinc/09/49/66/479094966.db2.gz NODNNQVDVCESFK-LBPRGKRZSA-N -1 0 334.328 2.946 10 5 EFBERM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccnc(N3CCCC3)c2)c1 ZINC000592968127 479110437 /nfs/dbraw/zinc/11/04/37/479110437.db2.gz ZIYULIZGZZEPED-UHFFFAOYSA-N -1 0 342.355 2.900 10 5 EFBERM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596061850 479114748 /nfs/dbraw/zinc/11/47/48/479114748.db2.gz KVHXVXZFLGPKBP-GFCCVEGCSA-N -1 0 335.360 2.834 10 5 EFBERM Cc1c(C(=O)[O-])cnn1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000592982667 479116724 /nfs/dbraw/zinc/11/67/24/479116724.db2.gz MTTMNQQAZASTFR-UHFFFAOYSA-N -1 0 336.373 2.701 10 5 EFBERM COc1cccc([N+](=O)[O-])c1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000573733650 479131723 /nfs/dbraw/zinc/13/17/23/479131723.db2.gz OTNIGFIDNGJCHT-UHFFFAOYSA-N -1 0 346.368 2.950 10 5 EFBERM Cc1cc(NCc2cccnc2N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569697946 479159871 /nfs/dbraw/zinc/15/98/71/479159871.db2.gz ZELMRDGVBGYCDC-UHFFFAOYSA-N -1 0 330.344 2.675 10 5 EFBERM COc1cccc([C@@H](C[N+](=O)[O-])c2c([O-])c3ccccc3oc2=O)c1 ZINC000584653784 479198788 /nfs/dbraw/zinc/19/87/88/479198788.db2.gz FVCNIUPGTYDOJV-CQSZACIVSA-N -1 0 341.319 2.916 10 5 EFBERM Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)c1 ZINC000584731453 479224541 /nfs/dbraw/zinc/22/45/41/479224541.db2.gz ZBMCHTIKMPDLBQ-GFCCVEGCSA-N 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CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)cn1 ZINC000131893812 223281764 /nfs/dbraw/zinc/28/17/64/223281764.db2.gz PAVMPVXCLWQFNN-UHFFFAOYSA-N -1 0 344.371 2.537 10 5 EFBERM O=C(NCc1ccn(C2CCCC2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159463717 239028589 /nfs/dbraw/zinc/02/85/89/239028589.db2.gz SENOKNHYYMPYNF-UHFFFAOYSA-N -1 0 330.344 2.542 10 5 EFBERM Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)sc1C(=O)[O-] ZINC000237539097 242682080 /nfs/dbraw/zinc/68/20/80/242682080.db2.gz RQQKQGCWVNZDOB-SECBINFHSA-N -1 0 349.368 2.857 10 5 EFBERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261979379 304147429 /nfs/dbraw/zinc/14/74/29/304147429.db2.gz ZYQSZQZGXQEGMY-IIMNLJJBSA-N -1 0 336.319 2.592 10 5 EFBERM CCc1oncc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414376790 244118593 /nfs/dbraw/zinc/11/85/93/244118593.db2.gz ASMCDUQLCLQTHS-UHFFFAOYSA-N -1 0 325.346 2.563 10 5 EFBERM Cc1cnc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414436050 244156715 /nfs/dbraw/zinc/15/67/15/244156715.db2.gz GJBWFTMPIGQZDW-UHFFFAOYSA-N -1 0 327.387 2.777 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c(C)cc1[N+](=O)[O-] ZINC000414443927 244163136 /nfs/dbraw/zinc/16/31/36/244163136.db2.gz OOZZQVHHAZGOHR-UHFFFAOYSA-N -1 0 340.361 2.519 10 5 EFBERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261611733 304148957 /nfs/dbraw/zinc/14/89/57/304148957.db2.gz BFQOGVLWJXFDSF-IUPBHXKESA-N -1 0 336.319 2.592 10 5 EFBERM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000261906623 244725817 /nfs/dbraw/zinc/72/58/17/244725817.db2.gz POXLELPXKVHMBZ-KYOSRNDESA-N -1 0 332.356 2.761 10 5 EFBERM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261867733 304161275 /nfs/dbraw/zinc/16/12/75/304161275.db2.gz KYDAKXAFMWPYRD-DVYJOKAKSA-N -1 0 338.747 2.574 10 5 EFBERM O=C(NCc1cc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436908125 249627141 /nfs/dbraw/zinc/62/71/41/249627141.db2.gz HOCZDFNWAQPMEG-UHFFFAOYSA-N -1 0 339.307 2.885 10 5 EFBERM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000443154847 250165588 /nfs/dbraw/zinc/16/55/88/250165588.db2.gz HFAXTMJKTWQATQ-UHFFFAOYSA-N -1 0 347.274 2.809 10 5 EFBERM Cc1cc([N+](=O)[O-])ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443442932 250196467 /nfs/dbraw/zinc/19/64/67/250196467.db2.gz MFIZTNJTCQCUBT-DAXSKMNVSA-N -1 0 343.339 2.895 10 5 EFBERM Cc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1N(C)C ZINC000097052711 218935362 /nfs/dbraw/zinc/93/53/62/218935362.db2.gz RXGCKKCRCOOZCJ-UHFFFAOYSA-N -1 0 329.356 2.951 10 5 EFBERM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000318805989 296380683 /nfs/dbraw/zinc/38/06/83/296380683.db2.gz SVQKTLYHJFFPBG-PRHODGIISA-N -1 0 326.736 2.574 10 5 EFBERM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164779168 533568646 /nfs/dbraw/zinc/56/86/46/533568646.db2.gz RIGZVZXBZVZKGF-SECBINFHSA-N -1 0 334.303 2.939 10 5 EFBERM Cc1ccc(O[C@@H](C)CNC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000343481484 142006304 /nfs/dbraw/zinc/00/63/04/142006304.db2.gz UISXURBCDKYCHW-LBPRGKRZSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(NCC1(c2ccc(F)cc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346213969 142168723 /nfs/dbraw/zinc/16/87/23/142168723.db2.gz DRSHXCLTQJMVJH-UHFFFAOYSA-N -1 0 330.315 2.901 10 5 EFBERM C[C@@H](O)C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000346491841 142211714 /nfs/dbraw/zinc/21/17/14/142211714.db2.gz IDPWEMHPSHDJGY-OCCSQVGLSA-N -1 0 344.367 2.585 10 5 EFBERM C[C@H](O)C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000346491837 142211784 /nfs/dbraw/zinc/21/17/84/142211784.db2.gz IDPWEMHPSHDJGY-JSGCOSHPSA-N -1 0 344.367 2.585 10 5 EFBERM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])COCc1ccccc1 ZINC000350082016 142397455 /nfs/dbraw/zinc/39/74/55/142397455.db2.gz PHVURTQLUUYWBJ-CYBMUJFWSA-N -1 0 344.367 2.883 10 5 EFBERM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000339087923 144688117 /nfs/dbraw/zinc/68/81/17/144688117.db2.gz RSOZMOREUUXRRS-LBPRGKRZSA-N -1 0 339.355 2.732 10 5 EFBERM CCOCc1ccccc1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000341288592 145026773 /nfs/dbraw/zinc/02/67/73/145026773.db2.gz DWJAVLZFNWEIKU-UHFFFAOYSA-N -1 0 330.340 2.767 10 5 EFBERM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343797970 145297529 /nfs/dbraw/zinc/29/75/29/145297529.db2.gz XIWXSSQOBMSLKN-LLVKDONJSA-N -1 0 328.324 2.692 10 5 EFBERM O=C(NCCc1cc2ccccc2[nH]1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343809047 145299644 /nfs/dbraw/zinc/29/96/44/145299644.db2.gz PMKPTJMZYLSENA-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM COC(=O)CC1(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000348802766 146004401 /nfs/dbraw/zinc/00/44/01/146004401.db2.gz NGUZLSBUASQGPV-UHFFFAOYSA-N -1 0 336.344 2.753 10 5 EFBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccoc2)c1 ZINC000350900836 146100217 /nfs/dbraw/zinc/10/02/17/146100217.db2.gz YWVRLBDQRUTVKV-UHFFFAOYSA-N -1 0 347.146 2.751 10 5 EFBERM CCCc1nc(=NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000350900950 146100325 /nfs/dbraw/zinc/10/03/25/146100325.db2.gz OQJPBYFFWSFGHP-UHFFFAOYSA-N -1 0 349.416 2.527 10 5 EFBERM COc1cccc(C[C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000352837198 146329512 /nfs/dbraw/zinc/32/95/12/146329512.db2.gz BYVATGJUWMNJGN-NSHDSACASA-N -1 0 330.340 2.670 10 5 EFBERM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353066551 146389152 /nfs/dbraw/zinc/38/91/52/146389152.db2.gz WGJGKYFQWWIMHA-NOZJJQNGSA-N -1 0 334.278 2.865 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(c2ccccc2)CC(=O)C1 ZINC000355573887 147000851 /nfs/dbraw/zinc/00/08/51/147000851.db2.gz KOWYZOCPQAGNBD-UHFFFAOYSA-N -1 0 326.308 2.540 10 5 EFBERM Cc1nc(-c2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)no1 ZINC000355728598 147046892 /nfs/dbraw/zinc/04/68/92/147046892.db2.gz CRGUHGRVBGZECR-UHFFFAOYSA-N -1 0 340.295 2.911 10 5 EFBERM O=C(NCc1ccc(OC(F)F)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355828892 147076852 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347.274 2.790 10 5 EFBERM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000356869203 147358429 /nfs/dbraw/zinc/35/84/29/147358429.db2.gz NFOXBXFNCAMIEE-SECBINFHSA-N -1 0 347.274 2.790 10 5 EFBERM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356917078 147372236 /nfs/dbraw/zinc/37/22/36/147372236.db2.gz MZICQOWXOAGIOL-SECBINFHSA-N -1 0 347.274 2.790 10 5 EFBERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000362917340 148906777 /nfs/dbraw/zinc/90/67/77/148906777.db2.gz KCHPKPMIOZUWSE-QMMMGPOBSA-N -1 0 338.307 2.590 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000368325314 150094807 /nfs/dbraw/zinc/09/48/07/150094807.db2.gz ZLVBYZGONBOJSV-INIZCTEOSA-N -1 0 334.372 2.722 10 5 EFBERM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339009776 287183019 /nfs/dbraw/zinc/18/30/19/287183019.db2.gz JHGHLTVLESNPIM-HUUCEWRRSA-N -1 0 335.404 2.522 10 5 EFBERM Cc1nnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000083955804 264622260 /nfs/dbraw/zinc/62/22/60/264622260.db2.gz SGFYNKHHLUSLHB-UHFFFAOYSA-N -1 0 348.793 2.517 10 5 EFBERM CC(C)(C)c1csc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])n1 ZINC000280854657 273374178 /nfs/dbraw/zinc/37/41/78/273374178.db2.gz WPCOHOHVGPCSCB-UHFFFAOYSA-N -1 0 335.385 2.984 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(NCC2CC2)nc1 ZINC000282317776 273545347 /nfs/dbraw/zinc/54/53/47/273545347.db2.gz VVDNVZKFROYJHL-UHFFFAOYSA-N -1 0 328.328 2.770 10 5 EFBERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000056958561 278417679 /nfs/dbraw/zinc/41/76/79/278417679.db2.gz PNIVAHKGWKAAIG-STQMWFEESA-N -1 0 336.344 2.630 10 5 EFBERM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC2(CCCC2)O1 ZINC000189963109 281221839 /nfs/dbraw/zinc/22/18/39/281221839.db2.gz XHHIOKMVYZIYNL-UHFFFAOYSA-N -1 0 334.372 2.864 10 5 EFBERM CCCn1nccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000066253233 292688345 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EFBERM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000343464069 476075690 /nfs/dbraw/zinc/07/56/90/476075690.db2.gz WGPNEHWVNMEPGB-UHFFFAOYSA-N -1 0 329.356 2.923 10 5 EFBERM COC(=O)c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1C ZINC000353709152 476208258 /nfs/dbraw/zinc/20/82/58/476208258.db2.gz JHWGGSZLMIKGKR-UHFFFAOYSA-N -1 0 330.296 2.648 10 5 EFBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000357149048 476264929 /nfs/dbraw/zinc/26/49/29/476264929.db2.gz AOFHLBVVPPGXEP-UHFFFAOYSA-N -1 0 347.352 2.886 10 5 EFBERM CCOc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OC ZINC000350616736 476267174 /nfs/dbraw/zinc/26/71/74/476267174.db2.gz VPBWTJYWLCDOKU-UHFFFAOYSA-N -1 0 332.312 2.960 10 5 EFBERM CCn1c2ccccc2nc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000362505484 476288633 /nfs/dbraw/zinc/28/86/33/476288633.db2.gz NDGGTDZEOKAEPR-UHFFFAOYSA-N -1 0 326.312 2.922 10 5 EFBERM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000362532981 476299287 /nfs/dbraw/zinc/29/92/87/476299287.db2.gz KMTZXSMXYVKELN-CYBMUJFWSA-N -1 0 342.351 2.958 10 5 EFBERM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353910733 476321489 /nfs/dbraw/zinc/32/14/89/476321489.db2.gz QBFXNGADKGIMRD-AWEZNQCLSA-N -1 0 344.323 2.720 10 5 EFBERM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000357328081 476332845 /nfs/dbraw/zinc/33/28/45/476332845.db2.gz HYIOMLZJGYWKQG-UHFFFAOYSA-N -1 0 344.295 2.682 10 5 EFBERM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000360672058 476336585 /nfs/dbraw/zinc/33/65/85/476336585.db2.gz MOMHWJSUGQJDPD-DYVFJYSZSA-N -1 0 342.351 2.808 10 5 EFBERM O=C(Nc1nccn1Cc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000362656553 476343054 /nfs/dbraw/zinc/34/30/54/476343054.db2.gz LYRAPRIYHWIWRP-UHFFFAOYSA-N -1 0 338.323 2.798 10 5 EFBERM Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])no1 ZINC000374783667 476527719 /nfs/dbraw/zinc/52/77/19/476527719.db2.gz RITMPTAJWKUFRV-ZDUSSCGKSA-N -1 0 346.343 2.749 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000370202776 476696174 /nfs/dbraw/zinc/69/61/74/476696174.db2.gz XNYMCYOGOMOLKP-HNNXBMFYSA-N -1 0 346.314 2.653 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000370459314 476819999 /nfs/dbraw/zinc/81/99/99/476819999.db2.gz HQEPUFCUHYAHNX-OAHLLOKOSA-N -1 0 346.314 2.653 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000370599383 476888238 /nfs/dbraw/zinc/88/82/38/476888238.db2.gz XESNYGICPRUPOS-ZDUSSCGKSA-N -1 0 327.340 2.627 10 5 EFBERM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000431605492 477059582 /nfs/dbraw/zinc/05/95/82/477059582.db2.gz RKKSXOZYIFCTPP-XYPYZODXSA-N -1 0 330.381 2.981 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2c([nH]c3ccccc32)C1 ZINC000376061907 477155106 /nfs/dbraw/zinc/15/51/06/477155106.db2.gz MSBBKKOVPXVSLP-UHFFFAOYSA-N -1 0 337.335 2.980 10 5 EFBERM O=C(NC1CC(OCc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376102865 477174799 /nfs/dbraw/zinc/17/47/99/477174799.db2.gz NGYCTUVRQZYQAP-UHFFFAOYSA-N -1 0 342.351 2.778 10 5 EFBERM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000371435370 477318618 /nfs/dbraw/zinc/31/86/18/477318618.db2.gz VLLGIMVLKXSYMA-WMLDXEAASA-N -1 0 342.351 2.808 10 5 EFBERM C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C(=O)[O-] ZINC000424266319 477348367 /nfs/dbraw/zinc/34/83/67/477348367.db2.gz UIAWDCJCGWJZRB-OTYXRUKQSA-N -1 0 340.763 2.502 10 5 EFBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000371561116 477387917 /nfs/dbraw/zinc/38/79/17/477387917.db2.gz HPMLXMYCEGESNQ-CQSZACIVSA-N -1 0 328.324 2.594 10 5 EFBERM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436570065 477517962 /nfs/dbraw/zinc/51/79/62/477517962.db2.gz MEWUVEPCVQLGQN-SECBINFHSA-N -1 0 347.274 2.790 10 5 EFBERM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000436655645 477548354 /nfs/dbraw/zinc/54/83/54/477548354.db2.gz DMQUIZAONVPJSB-UHFFFAOYSA-N -1 0 331.115 2.593 10 5 EFBERM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCO2 ZINC000436674948 477554373 /nfs/dbraw/zinc/55/43/73/477554373.db2.gz RXKRDLJOAZBRBD-SECBINFHSA-N -1 0 330.296 2.520 10 5 EFBERM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436685702 477558593 /nfs/dbraw/zinc/55/85/93/477558593.db2.gz MHLZOWYNPHRKGE-ZDUSSCGKSA-N -1 0 346.314 2.865 10 5 EFBERM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000367537216 477562862 /nfs/dbraw/zinc/56/28/62/477562862.db2.gz DFKJYSZXKRESJM-GKKDWNQVSA-N -1 0 348.399 2.702 10 5 EFBERM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])n1 ZINC000436815217 477599290 /nfs/dbraw/zinc/59/92/90/477599290.db2.gz JXHMBGLSVLKYGF-UHFFFAOYSA-N -1 0 328.687 2.562 10 5 EFBERM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870677 477619310 /nfs/dbraw/zinc/61/93/10/477619310.db2.gz HVJZQHBRWOSEEI-VIFPVBQESA-N -1 0 334.303 2.939 10 5 EFBERM COc1cccc(C[C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436959274 477648677 /nfs/dbraw/zinc/64/86/77/477648677.db2.gz CINGDHFDMFHUIK-NSHDSACASA-N -1 0 330.340 2.670 10 5 EFBERM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436965654 477651705 /nfs/dbraw/zinc/65/17/05/477651705.db2.gz LGHGHTPUDLCCPC-CQSZACIVSA-N -1 0 328.324 2.781 10 5 EFBERM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436967361 477652109 /nfs/dbraw/zinc/65/21/09/477652109.db2.gz YHSQLAROEZOSEF-ZDUSSCGKSA-N -1 0 328.324 2.781 10 5 EFBERM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1c(C)nn(C)c1C ZINC000436971514 477652925 /nfs/dbraw/zinc/65/29/25/477652925.db2.gz JKTDKDFNDIYYTJ-ZDUSSCGKSA-N -1 0 332.360 2.532 10 5 EFBERM O=C(NCCCNc1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436985570 477658038 /nfs/dbraw/zinc/65/80/38/477658038.db2.gz CVTZDIUSSCCHRJ-UHFFFAOYSA-N -1 0 333.319 2.672 10 5 EFBERM COC(=O)c1c(C)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1F ZINC000426710549 477742375 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GGOGYWAWSSCJBY-GZMMTYOYSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000594411893 478371938 /nfs/dbraw/zinc/37/19/38/478371938.db2.gz LGHCKZNHCAFHRH-JOYOIKCWSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000590883829 478382939 /nfs/dbraw/zinc/38/29/39/478382939.db2.gz CZNODKCEPZMZEB-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597615092 478434895 /nfs/dbraw/zinc/43/48/95/478434895.db2.gz BDCTWNYFGUTUBD-JQWIXIFHSA-N -1 0 347.758 2.882 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1cn[nH]c1 ZINC000597729840 478484589 /nfs/dbraw/zinc/48/45/89/478484589.db2.gz QFNISMYUIGZAMN-NSHDSACASA-N -1 0 336.735 2.654 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000594727191 478515413 /nfs/dbraw/zinc/51/54/13/478515413.db2.gz ZMGYBXKVJRULPO-UHFFFAOYSA-N -1 0 347.396 2.978 10 5 EFBERM Cc1c(CNC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000582165958 478526206 /nfs/dbraw/zinc/52/62/06/478526206.db2.gz FPPIPGCJFBKNSV-AWEZNQCLSA-N -1 0 337.376 2.544 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000594743046 478526850 /nfs/dbraw/zinc/52/68/50/478526850.db2.gz PWCDOSYVJMNHSH-YNEHKIRRSA-N -1 0 339.417 2.627 10 5 EFBERM C[C@H]1CO[C@H](c2ccccc2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571213706 478544340 /nfs/dbraw/zinc/54/43/40/478544340.db2.gz KWGCDWVBCZDAHO-FZMZJTMJSA-N -1 0 343.339 2.654 10 5 EFBERM C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1C(=O)[O-] ZINC000600870695 478546205 /nfs/dbraw/zinc/54/62/05/478546205.db2.gz YELNIJQWCNDWFQ-DOMZBBRYSA-N -1 0 346.383 2.586 10 5 EFBERM CCC[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC000600870110 478546703 /nfs/dbraw/zinc/54/67/03/478546703.db2.gz ROAWSDDBOVHWHI-GFCCVEGCSA-N -1 0 334.372 2.634 10 5 EFBERM O=C([O-])c1occc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600870692 478546820 /nfs/dbraw/zinc/54/68/20/478546820.db2.gz YAJZDKZAVAAYJR-UHFFFAOYSA-N -1 0 344.323 2.624 10 5 EFBERM C[C@](NC(=O)[C@@H]1CC12CCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874005 478547477 /nfs/dbraw/zinc/54/74/77/478547477.db2.gz IAIATOGNXQNHIN-XJKSGUPXSA-N -1 0 332.356 2.591 10 5 EFBERM C[C@](NC(=O)CCC1CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872999 478548048 /nfs/dbraw/zinc/54/80/48/478548048.db2.gz FOHPSBWVXBGENA-QGZVFWFLSA-N -1 0 334.372 2.981 10 5 EFBERM Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000600875402 478548745 /nfs/dbraw/zinc/54/87/45/478548745.db2.gz JPNPUHODVWSPTH-AWEZNQCLSA-N -1 0 334.372 2.914 10 5 EFBERM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600875501 478549449 /nfs/dbraw/zinc/54/94/49/478549449.db2.gz KOFSMDRGFAWAKI-AWEZNQCLSA-N -1 0 334.372 2.914 10 5 EFBERM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000600880476 478550133 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RIRAGSMURXKDTC-OAGGEKHMSA-N -1 0 346.383 2.629 10 5 EFBERM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000595244855 478700593 /nfs/dbraw/zinc/70/05/93/478700593.db2.gz KMDZXTYFFXBXRU-KFWWJZLASA-N -1 0 332.356 2.700 10 5 EFBERM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595246259 478700600 /nfs/dbraw/zinc/70/06/00/478700600.db2.gz YCMLCDLAOFJPMQ-ZNMIVQPWSA-N -1 0 332.356 2.700 10 5 EFBERM O=C([O-])C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000595261464 478705693 /nfs/dbraw/zinc/70/56/93/478705693.db2.gz RECVKQPGXNDQLP-UHFFFAOYSA-N -1 0 347.371 2.524 10 5 EFBERM Cc1cc(N2CCO[C@@H](CC(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595280410 478711992 /nfs/dbraw/zinc/71/19/92/478711992.db2.gz GSCVSYGKFRLIJI-VIFPVBQESA-N -1 0 348.277 2.759 10 5 EFBERM Cc1ccc(CC2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000598233877 478719176 /nfs/dbraw/zinc/71/91/76/478719176.db2.gz CDSTZWOBQFYGJE-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595359229 478747688 /nfs/dbraw/zinc/74/76/88/478747688.db2.gz IUWQAXZHJNKDNF-KPPDAEKUSA-N -1 0 348.371 2.929 10 5 EFBERM CC(C)[C@@H](O)[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000598355516 478785555 /nfs/dbraw/zinc/78/55/55/478785555.db2.gz VSTOIWRYIWTPMB-NVXWUHKLSA-N -1 0 344.367 2.788 10 5 EFBERM CC(C)[C@@H](O)[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000598355613 478786291 /nfs/dbraw/zinc/78/62/91/478786291.db2.gz WZXUVCKGQIRHGQ-IAGOWNOFSA-N -1 0 344.367 2.788 10 5 EFBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)c1ccc(F)cc1 ZINC000544541026 478844200 /nfs/dbraw/zinc/84/42/00/478844200.db2.gz YVOLOJMWDZQOKT-UHFFFAOYSA-N -1 0 338.678 2.914 10 5 EFBERM Cc1cc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])s1 ZINC000601468450 478846803 /nfs/dbraw/zinc/84/68/03/478846803.db2.gz PNRGIGRMNNQPBD-QMMMGPOBSA-N -1 0 340.373 2.534 10 5 EFBERM Cc1cccc(OC[C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507465822 478922926 /nfs/dbraw/zinc/92/29/26/478922926.db2.gz GHPZPQAEDJRBFW-LBPRGKRZSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601659149 478933878 /nfs/dbraw/zinc/93/38/78/478933878.db2.gz MLQQTYSLWSOYII-ZDUSSCGKSA-N -1 0 327.340 2.715 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601660604 478935339 /nfs/dbraw/zinc/93/53/39/478935339.db2.gz QXBPPKSZUVBZHT-ZDUSSCGKSA-N -1 0 327.340 2.715 10 5 EFBERM Cc1ccc([C@H](C)NC(=O)N(CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000572957366 478959504 /nfs/dbraw/zinc/95/95/04/478959504.db2.gz VQKXBLMSGZGNEK-NSHDSACASA-N -1 0 335.360 2.613 10 5 EFBERM Cc1cc(NCCCN(C)CC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514604283 479031334 /nfs/dbraw/zinc/03/13/34/479031334.db2.gz BVCCFIRPXXVFTC-UHFFFAOYSA-N -1 0 349.309 2.898 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC2(C1)CC(F)(F)C2 ZINC000592780699 479040418 /nfs/dbraw/zinc/04/04/18/479040418.db2.gz OFSUJSXXZLOIFM-UHFFFAOYSA-N -1 0 332.690 2.825 10 5 EFBERM CC(C)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592785954 479043460 /nfs/dbraw/zinc/04/34/60/479043460.db2.gz YENVIDZZAQUZJA-ZDUSSCGKSA-N -1 0 338.360 2.853 10 5 EFBERM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595891869 479054984 /nfs/dbraw/zinc/05/49/84/479054984.db2.gz QGQKMQDMWJTNPW-CABZTGNLSA-N -1 0 334.294 2.842 10 5 EFBERM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000595970492 479085436 /nfs/dbraw/zinc/08/54/36/479085436.db2.gz YFSDINMKRSHGRE-LBPRGKRZSA-N -1 0 349.774 2.953 10 5 EFBERM CC(=O)c1cc(Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000595975278 479086180 /nfs/dbraw/zinc/08/61/80/479086180.db2.gz ADMCXCSGZNVRLY-UHFFFAOYSA-N -1 0 332.316 2.557 10 5 EFBERM CC(C)NC(=O)c1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000595978570 479087386 /nfs/dbraw/zinc/08/73/86/479087386.db2.gz YXIYGFZGGZKEQJ-CYBMUJFWSA-N -1 0 349.387 2.646 10 5 EFBERM CCOc1cc(Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000595978826 479087878 /nfs/dbraw/zinc/08/78/78/479087878.db2.gz PIKHEPJTJXEGQO-UHFFFAOYSA-N -1 0 334.332 2.753 10 5 EFBERM CC[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000592952491 479108058 /nfs/dbraw/zinc/10/80/58/479108058.db2.gz HXDDZPUIMOCKTE-VIFPVBQESA-N -1 0 349.368 2.559 10 5 EFBERM Cc1cc(N2CCC3(CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970844 479111320 /nfs/dbraw/zinc/11/13/20/479111320.db2.gz FWYNMSIMRLCMLI-UHFFFAOYSA-N -1 0 334.372 2.998 10 5 EFBERM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)c1 ZINC000592976207 479113127 /nfs/dbraw/zinc/11/31/27/479113127.db2.gz HZUNDOVZZBZEGN-AWEZNQCLSA-N -1 0 334.353 2.932 10 5 EFBERM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596061851 479115744 /nfs/dbraw/zinc/11/57/44/479115744.db2.gz KVHXVXZFLGPKBP-LBPRGKRZSA-N -1 0 335.360 2.834 10 5 EFBERM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599431318 479293997 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10 5 EFBERM Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000596653810 479373358 /nfs/dbraw/zinc/37/33/58/479373358.db2.gz FKQWJHDOPCUCFQ-BXUZGUMPSA-N -1 0 349.387 2.764 10 5 EFBERM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000593554212 479386087 /nfs/dbraw/zinc/38/60/87/479386087.db2.gz UCVGDUQDKNEUCV-UHFFFAOYSA-N -1 0 344.371 2.705 10 5 EFBERM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144888 479398424 /nfs/dbraw/zinc/39/84/24/479398424.db2.gz YFWLARMABRYTMD-VIFPVBQESA-N -1 0 340.735 2.714 10 5 EFBERM CCOC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534993 479408172 /nfs/dbraw/zinc/40/81/72/479408172.db2.gz RGGDJATVNFITII-UHFFFAOYSA-N -1 0 344.323 2.658 10 5 EFBERM CCOC(=O)Cc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556640 479414527 /nfs/dbraw/zinc/41/45/27/479414527.db2.gz AQMXTRQJJNYWOO-UHFFFAOYSA-N -1 0 344.323 2.658 10 5 EFBERM CCOc1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593697894 479427843 /nfs/dbraw/zinc/42/78/43/479427843.db2.gz UYDSFAIWRPMRFT-LLVKDONJSA-N -1 0 338.360 2.613 10 5 EFBERM COc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593743893 479443449 /nfs/dbraw/zinc/44/34/49/479443449.db2.gz JJRZKZATHJZHKU-OAHLLOKOSA-N -1 0 342.351 2.787 10 5 EFBERM CCn1cc(CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C(C)C)cn1 ZINC000593834983 479478490 /nfs/dbraw/zinc/47/84/90/479478490.db2.gz MMCAJFGNVUJDDI-UHFFFAOYSA-N -1 0 332.360 2.568 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C2(CCC2)CO1 ZINC000593851345 479485092 /nfs/dbraw/zinc/48/50/92/479485092.db2.gz ZIGOOXQQTIUXNJ-SECBINFHSA-N -1 0 340.763 2.737 10 5 EFBERM COc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)cc1[N+](=O)[O-] ZINC000604485199 479525754 /nfs/dbraw/zinc/52/57/54/479525754.db2.gz XVXBLZWJHMYOCO-UHFFFAOYSA-N -1 0 338.266 2.517 10 5 EFBERM CCCn1nccc1[N-]S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000578892273 479628008 /nfs/dbraw/zinc/62/80/08/479628008.db2.gz OWHVZUZICUIYCG-UHFFFAOYSA-N -1 0 338.389 2.565 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000590402071 479640547 /nfs/dbraw/zinc/64/05/47/479640547.db2.gz SFCBHHDTXGQQCH-LBPRGKRZSA-N -1 0 327.340 2.715 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590436734 479647225 /nfs/dbraw/zinc/64/72/25/479647225.db2.gz BISYPTLMPDFREU-UHFFFAOYSA-N -1 0 334.278 2.760 10 5 EFBERM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590564066 479659812 /nfs/dbraw/zinc/65/98/12/479659812.db2.gz YBIVXXPZDVOJGH-UHFFFAOYSA-N -1 0 339.311 2.646 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000619582659 479835181 /nfs/dbraw/zinc/83/51/81/479835181.db2.gz XMGWESJYPUUYQG-CYBMUJFWSA-N -1 0 334.372 2.864 10 5 EFBERM C/C=C/C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263250873 518531456 /nfs/dbraw/zinc/53/14/56/518531456.db2.gz HEYKBALUULTUCF-JZEAAEPLSA-N -1 0 338.385 2.611 10 5 EFBERM C/C=C/C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] 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O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001651550522 1101348285 /nfs/dbraw/zinc/34/82/85/1101348285.db2.gz IWOHJNVZKPFSCE-NEPJUHHUSA-N -1 0 348.277 2.530 10 5 EFBERM O=[N+]([O-])c1ccc(C([O-])=CS(=O)(=O)Cc2ccccc2)c(F)c1 ZINC001652053524 1101426384 /nfs/dbraw/zinc/42/63/84/1101426384.db2.gz ZHSBXGQAGSKBAZ-UHFFFAOYSA-N -1 0 337.328 2.532 10 5 EFBERM CC1(C)CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1 ZINC001625812038 1101555881 /nfs/dbraw/zinc/55/58/81/1101555881.db2.gz PVJHIKFFYFBUJV-SECBINFHSA-N -1 0 328.752 2.641 10 5 EFBERM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(O)cc1Cl ZINC001653076130 1101582619 /nfs/dbraw/zinc/58/26/19/1101582619.db2.gz FQXDIENTTRQUNU-UHFFFAOYSA-N -1 0 325.683 2.927 10 5 EFBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(n1)CCCN2 ZINC001654447594 1101717193 /nfs/dbraw/zinc/71/71/93/1101717193.db2.gz BLXZYLAAHJCXAB-UHFFFAOYSA-N -1 0 348.746 2.959 10 5 EFBERM COc1cnc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)[nH]c1=O ZINC001655019957 1101776753 /nfs/dbraw/zinc/77/67/53/1101776753.db2.gz MSTDZIHZCKWKMX-CQSZACIVSA-N -1 0 344.371 2.745 10 5 EFBERM O=C(NCc1noc2ccc(F)cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001649006488 1107839181 /nfs/dbraw/zinc/83/91/81/1107839181.db2.gz UZEOOFZYXDMJBF-UHFFFAOYSA-N -1 0 331.259 2.511 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899626449 1109423902 /nfs/dbraw/zinc/42/39/02/1109423902.db2.gz HWNSAJXJYSZGGQ-NOZJJQNGSA-N -1 0 340.763 2.595 10 5 EFBERM CCc1nccn1[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164550545 529761315 /nfs/dbraw/zinc/76/13/15/529761315.db2.gz HPZDCUFGWODGPI-ZDUSSCGKSA-N -1 0 344.371 2.537 10 5 EFBERM O=C(Nc1ncn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000122148190 304018904 /nfs/dbraw/zinc/01/89/04/304018904.db2.gz MUBDRHYUPUFDEH-UHFFFAOYSA-N -1 0 331.332 2.649 10 5 EFBERM Cc1cc(C)n(-c2ncnc([N-]c3ccc(C)cn3)c2[N+](=O)[O-])n1 ZINC000040660660 213365487 /nfs/dbraw/zinc/36/54/87/213365487.db2.gz RHEPHYYPJNYDPC-UHFFFAOYSA-N -1 0 325.332 2.634 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000354008589 299244169 /nfs/dbraw/zinc/24/41/69/299244169.db2.gz JJQHKVUCOWVGKX-DINDLPBHSA-N -1 0 342.351 2.983 10 5 EFBERM CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C(=O)[O-])CCCCC1 ZINC000191305537 239029922 /nfs/dbraw/zinc/02/99/22/239029922.db2.gz FAOJRLBUGLXDJD-UHFFFAOYSA-N -1 0 345.355 2.936 10 5 EFBERM Cc1ccc(C[C@@H](C)N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193606163 240118098 /nfs/dbraw/zinc/11/80/98/240118098.db2.gz UCNQSCYWIQQXFT-GFCCVEGCSA-N -1 0 329.356 2.707 10 5 EFBERM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000346780405 296105780 /nfs/dbraw/zinc/10/57/80/296105780.db2.gz KAPDSBHXKIWQJN-PSLIRLAXSA-N -1 0 348.380 2.794 10 5 EFBERM COC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC000429682973 284062188 /nfs/dbraw/zinc/06/21/88/284062188.db2.gz HWPYYPAJOLSJHK-OAHLLOKOSA-N -1 0 342.351 2.967 10 5 EFBERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261611736 304147086 /nfs/dbraw/zinc/14/70/86/304147086.db2.gz BFQOGVLWJXFDSF-LQJRIPTKSA-N -1 0 336.319 2.592 10 5 EFBERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261979375 304149192 /nfs/dbraw/zinc/14/91/92/304149192.db2.gz ZYQSZQZGXQEGMY-FZQKWOKYSA-N -1 0 336.319 2.592 10 5 EFBERM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000449665169 251105085 /nfs/dbraw/zinc/10/50/85/251105085.db2.gz MVOURMRZSODQKA-LLVKDONJSA-N -1 0 347.337 2.616 10 5 EFBERM Cn1ccc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000097112916 218960789 /nfs/dbraw/zinc/96/07/89/218960789.db2.gz VXHXBKHBEGKFKT-GFCCVEGCSA-N -1 0 343.261 2.672 10 5 EFBERM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000318507385 296379256 /nfs/dbraw/zinc/37/92/56/296379256.db2.gz GIBFKKOGGNFJTR-PELKAZGASA-N -1 0 326.736 2.574 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000119196092 221264052 /nfs/dbraw/zinc/26/40/52/221264052.db2.gz WGRJIKICTGJOMX-DOMZBBRYSA-N -1 0 346.339 2.622 10 5 EFBERM Cc1csc([C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C2CC2)n1 ZINC000343452516 142000485 /nfs/dbraw/zinc/00/04/85/142000485.db2.gz PFUTWYPHQUIVJQ-GFCCVEGCSA-N -1 0 333.369 2.946 10 5 EFBERM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346130969 142151650 /nfs/dbraw/zinc/15/16/50/142151650.db2.gz ABPVWZIJLNMOLT-ZDUSSCGKSA-N -1 0 341.367 2.557 10 5 EFBERM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346248595 142176192 /nfs/dbraw/zinc/17/61/92/142176192.db2.gz YXZYCOGFCBQUJG-UHFFFAOYSA-N -1 0 342.355 2.938 10 5 EFBERM Cn1ncc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1-c1ccccc1 ZINC000346490887 142211206 /nfs/dbraw/zinc/21/12/06/142211206.db2.gz JPAMKRORKFPZRJ-UHFFFAOYSA-N -1 0 338.323 2.953 10 5 EFBERM O=C(NCc1cn2cc(Cl)ccc2n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349477935 142332674 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Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352987838 146367349 /nfs/dbraw/zinc/36/73/49/146367349.db2.gz OHZVARLYBUWAIE-XMMPIXPASA-N -1 0 348.380 2.740 10 5 EFBERM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000355585442 147004382 /nfs/dbraw/zinc/00/43/82/147004382.db2.gz NMXSXKPPRPUEDD-VCTAVGKDSA-N -1 0 336.388 2.870 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 ZINC000355901967 147095260 /nfs/dbraw/zinc/09/52/60/147095260.db2.gz XOPIOSJXODWNCE-UHFFFAOYSA-N -1 0 326.264 2.659 10 5 EFBERM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000355937243 147103470 /nfs/dbraw/zinc/10/34/70/147103470.db2.gz HTYYOFKIEOGRNO-RFAUZJTJSA-N -1 0 348.380 2.794 10 5 EFBERM CSc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1C ZINC000359936404 148228209 /nfs/dbraw/zinc/22/82/09/148228209.db2.gz RZLGJWYPFKMSSN-UHFFFAOYSA-N -1 0 342.764 2.662 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)SCC(=O)N2 ZINC000368228585 150072271 /nfs/dbraw/zinc/07/22/71/150072271.db2.gz YBAIYNPUFYLMKE-UHFFFAOYSA-N -1 0 345.336 2.597 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374211470 151301455 /nfs/dbraw/zinc/30/14/55/151301455.db2.gz KZBHZYOBKGITSY-CQSZACIVSA-N -1 0 328.324 2.594 10 5 EFBERM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000376143995 286330622 /nfs/dbraw/zinc/33/06/22/286330622.db2.gz WIZHMEADIWBAPI-LSDHHAIUSA-N -1 0 334.372 2.720 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000159531848 225234613 /nfs/dbraw/zinc/23/46/13/225234613.db2.gz NOIHQLILHWKHBP-DOMZBBRYSA-N -1 0 346.339 2.622 10 5 EFBERM Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(C)c1O ZINC000188705919 265149690 /nfs/dbraw/zinc/14/96/90/265149690.db2.gz MCNPHNYYOYDLBR-UHFFFAOYSA-N -1 0 330.340 2.595 10 5 EFBERM CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000272458898 266271409 /nfs/dbraw/zinc/27/14/09/266271409.db2.gz QNIWVYGCJZSZOM-UHFFFAOYSA-N -1 0 327.387 2.723 10 5 EFBERM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280867755 273375530 /nfs/dbraw/zinc/37/55/30/273375530.db2.gz BNPXGYLCLZDKJL-UHFFFAOYSA-N -1 0 330.344 2.944 10 5 EFBERM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280880116 273377087 /nfs/dbraw/zinc/37/70/87/273377087.db2.gz FWQMHWMCTDMHHN-MLGOLLRUSA-N -1 0 342.351 2.903 10 5 EFBERM CC(C)[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000281052524 273395646 /nfs/dbraw/zinc/39/56/46/273395646.db2.gz XQTXARXZMGDNQZ-GFCCVEGCSA-N -1 0 346.343 2.688 10 5 EFBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000281384502 273429524 /nfs/dbraw/zinc/42/95/24/273429524.db2.gz XLTJWHBMKOKANO-DGCLKSJQSA-N -1 0 332.356 2.664 10 5 EFBERM C[C@]12CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000286121345 274137745 /nfs/dbraw/zinc/13/77/45/274137745.db2.gz GVEVVAUORLPKHW-MFKMUULPSA-N -1 0 345.182 2.956 10 5 EFBERM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339058808 277205517 /nfs/dbraw/zinc/20/55/17/277205517.db2.gz IIWNSKRDBXEICQ-HNNXBMFYSA-N -1 0 336.388 2.997 10 5 EFBERM CC(C)[C@@H]1N(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000413977707 280060859 /nfs/dbraw/zinc/06/08/59/280060859.db2.gz OYOOXFVOCBRUDE-HNNXBMFYSA-N -1 0 334.372 2.578 10 5 EFBERM CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000126517429 293041656 /nfs/dbraw/zinc/04/16/56/293041656.db2.gz QTLYWPFVIDAAPL-UHFFFAOYSA-N -1 0 344.780 2.725 10 5 EFBERM COC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000436790666 293146086 /nfs/dbraw/zinc/14/60/86/293146086.db2.gz HKMYAJYFYIBLFT-ZDUSSCGKSA-N -1 0 334.303 2.557 10 5 EFBERM COc1ccccc1CCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132988468 293244290 /nfs/dbraw/zinc/24/42/90/293244290.db2.gz KBUVBJQQXGQVNG-UHFFFAOYSA-N -1 0 330.340 2.624 10 5 EFBERM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354559204 293574066 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CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436959287 477648202 /nfs/dbraw/zinc/64/82/02/477648202.db2.gz MMJQRXTXNWFARI-UHFFFAOYSA-N -1 0 330.340 2.672 10 5 EFBERM COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436962758 477650384 /nfs/dbraw/zinc/65/03/84/477650384.db2.gz BBYCLLGXUWPHPT-LLVKDONJSA-N -1 0 330.340 2.670 10 5 EFBERM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969149 477652732 /nfs/dbraw/zinc/65/27/32/477652732.db2.gz XMAFIICPEQWRNU-AEFFLSMTSA-N -1 0 342.351 2.769 10 5 EFBERM COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000436977059 477656285 /nfs/dbraw/zinc/65/62/85/477656285.db2.gz CTYUIPSBENMYNQ-CQSZACIVSA-N -1 0 334.303 2.557 10 5 EFBERM CC(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000426963547 477762640 /nfs/dbraw/zinc/76/26/40/477762640.db2.gz LZVQXDZSXFYVGF-UHFFFAOYSA-N -1 0 329.312 2.535 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000427895901 477784659 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O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000597693519 478466968 /nfs/dbraw/zinc/46/69/68/478466968.db2.gz FIGMHXFPJMIPFO-LBPRGKRZSA-N -1 0 327.340 2.715 10 5 EFBERM C[N@@H+]1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570970589 478491619 /nfs/dbraw/zinc/49/16/19/478491619.db2.gz XJVMNYBHKUIBFT-ZIAGYGMSSA-N -1 0 342.355 2.545 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000582064403 478502189 /nfs/dbraw/zinc/50/21/89/478502189.db2.gz DYDBAVPBGOLWDZ-SKDRFNHKSA-N -1 0 340.763 2.595 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000594726606 478515431 /nfs/dbraw/zinc/51/54/31/478515431.db2.gz QDYGYFUHXFZCSN-UHFFFAOYSA-N -1 0 347.396 2.978 10 5 EFBERM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000594726823 478516030 /nfs/dbraw/zinc/51/60/30/478516030.db2.gz VBPSQYKTKWOKTQ-UHFFFAOYSA-N -1 0 333.369 2.669 10 5 EFBERM Cc1ccc(CCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594742880 478526069 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O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000594776251 478538346 /nfs/dbraw/zinc/53/83/46/478538346.db2.gz WYSQRUVCKWANSR-ZDUSSCGKSA-N -1 0 339.417 2.771 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H](C1CCC1)C1CCCC1 ZINC000594792002 478541611 /nfs/dbraw/zinc/54/16/11/478541611.db2.gz BSXPBSXUVMGYDL-AWEZNQCLSA-N -1 0 339.417 2.627 10 5 EFBERM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600868653 478545245 /nfs/dbraw/zinc/54/52/45/478545245.db2.gz IWPSTNIWMKZDEY-PBHICJAKSA-N -1 0 346.383 2.776 10 5 EFBERM Cc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000600868045 478545664 /nfs/dbraw/zinc/54/56/64/478545664.db2.gz FOTPCJURVPOUOF-SNVBAGLBSA-N -1 0 332.312 2.994 10 5 EFBERM Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600878171 478548715 /nfs/dbraw/zinc/54/87/15/478548715.db2.gz VTXDYNIHOAAUAP-ZDUSSCGKSA-N -1 0 334.372 2.914 10 5 EFBERM CCc1ccc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000600879610 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AALWMHQHPLQOJY-UHFFFAOYSA-N -1 0 326.352 2.924 10 5 EFBERM Cc1noc([C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000572003245 478728617 /nfs/dbraw/zinc/72/86/17/478728617.db2.gz KLJLLKLFRYRUAH-LLVKDONJSA-N -1 0 346.343 2.677 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C1CCC(C2CCC2)CC1 ZINC000595385025 478757504 /nfs/dbraw/zinc/75/75/04/478757504.db2.gz RVFQSQVYZVUIIL-UHFFFAOYSA-N -1 0 339.417 2.627 10 5 EFBERM O=C(NC1CCC2(CC2(F)F)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000598317812 478764544 /nfs/dbraw/zinc/76/45/44/478764544.db2.gz OCRIJWMIDIUTAZ-UHFFFAOYSA-N -1 0 326.299 2.998 10 5 EFBERM O=C(NC1CCC2(CC2(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598318207 478764802 /nfs/dbraw/zinc/76/48/02/478764802.db2.gz XUBCLGSYPGKXCX-UHFFFAOYSA-N -1 0 326.299 2.998 10 5 EFBERM CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000598345496 478778344 /nfs/dbraw/zinc/77/83/44/478778344.db2.gz DTXLFAIWHLSWGT-DLBZAZTESA-N -1 0 344.367 2.788 10 5 EFBERM CC(C)[C@@H](O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598345135 478778487 /nfs/dbraw/zinc/77/84/87/478778487.db2.gz BGOYVTPMSFZFSA-IAGOWNOFSA-N -1 0 344.367 2.788 10 5 EFBERM CC(C)[C@@H](O)[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000598355612 478786268 /nfs/dbraw/zinc/78/62/68/478786268.db2.gz WZXUVCKGQIRHGQ-DLBZAZTESA-N -1 0 344.367 2.788 10 5 EFBERM CC(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000505224712 478859112 /nfs/dbraw/zinc/85/91/12/478859112.db2.gz OSHWYMZFFXWPSX-UHFFFAOYSA-N -1 0 329.312 2.820 10 5 EFBERM C[C@@H](COc1cccc(F)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507441802 478922562 /nfs/dbraw/zinc/92/25/62/478922562.db2.gz PAPOZJRUAHVMCJ-JTQLQIEISA-N -1 0 334.303 2.637 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601654914 478930160 /nfs/dbraw/zinc/93/01/60/478930160.db2.gz CQWKCFUPXAQASI-CQSZACIVSA-N -1 0 327.340 2.715 10 5 EFBERM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598623650 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Cc1c(NC(=O)CNc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000610844147 479203211 /nfs/dbraw/zinc/20/32/11/479203211.db2.gz DFRYTGWJYRXKSJ-UHFFFAOYSA-N -1 0 329.312 2.652 10 5 EFBERM CC(C)(C)n1nnc(CCSCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000596409332 479284049 /nfs/dbraw/zinc/28/40/49/479284049.db2.gz KJQGAEHFHCNWOJ-UHFFFAOYSA-N -1 0 337.405 2.518 10 5 EFBERM CCC(F)(F)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599431849 479294373 /nfs/dbraw/zinc/29/43/73/479294373.db2.gz QSPCKAUIMRVJNX-UHFFFAOYSA-N -1 0 328.724 2.572 10 5 EFBERM CC[C@H](C)n1nc([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1C ZINC000557644837 479298625 /nfs/dbraw/zinc/29/86/25/479298625.db2.gz RHHPKLMGCAGBPM-JTQLQIEISA-N -1 0 347.375 2.726 10 5 EFBERM O=C([O-])c1ccnc(/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000585727981 479317320 /nfs/dbraw/zinc/31/73/20/479317320.db2.gz GUMJOCVHZDVNAI-OWOJBTEDSA-N -1 0 328.280 2.630 10 5 EFBERM CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000599545958 479325895 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261601466 474989033 /nfs/dbraw/zinc/98/90/33/474989033.db2.gz BLORAUOEDLSXRG-DFBGVHRSSA-N -1 0 332.356 2.761 10 5 EFBERM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000613878837 480138129 /nfs/dbraw/zinc/13/81/29/480138129.db2.gz UYHKETOXMKEWBG-UHFFFAOYSA-N -1 0 330.296 2.648 10 5 EFBERM CCOC(=O)c1ccnc([N-]c2cn(C)nc2C2CC2)c1[N+](=O)[O-] ZINC000292442080 475029422 /nfs/dbraw/zinc/02/94/22/475029422.db2.gz VYUYLIMIVSCYGX-UHFFFAOYSA-N -1 0 331.332 2.521 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC(=O)c2ccccc21 ZINC000354613748 475291311 /nfs/dbraw/zinc/29/13/11/475291311.db2.gz NAEBSJAZXISRPG-ZDUSSCGKSA-N -1 0 326.308 2.999 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000354613747 475291546 /nfs/dbraw/zinc/29/15/46/475291546.db2.gz NAEBSJAZXISRPG-CYBMUJFWSA-N -1 0 326.308 2.999 10 5 EFBERM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000345638011 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476126758 /nfs/dbraw/zinc/12/67/58/476126758.db2.gz VFOZYGLHCHHNRA-VOTSOKGWSA-N -1 0 330.296 2.876 10 5 EFBERM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000359343558 476225480 /nfs/dbraw/zinc/22/54/80/476225480.db2.gz PFBHKFUYXWAUSM-SNVBAGLBSA-N -1 0 343.339 2.750 10 5 EFBERM Cc1ccc2c(=O)c(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cnc-2[nH]1 ZINC000347310313 476249523 /nfs/dbraw/zinc/24/95/23/476249523.db2.gz OKQJJQGUVYEOEM-UHFFFAOYSA-N -1 0 340.295 2.510 10 5 EFBERM CCOc1cc(C)ccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353777252 476266549 /nfs/dbraw/zinc/26/65/49/476266549.db2.gz XIRNHGRAAIMVLE-UHFFFAOYSA-N -1 0 330.340 2.938 10 5 EFBERM Cn1ncc2ccc(-c3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)cc21 ZINC000350645356 476279694 /nfs/dbraw/zinc/27/96/94/476279694.db2.gz RDEUDUVJPDDNTR-UHFFFAOYSA-N -1 0 337.295 2.904 10 5 EFBERM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357329165 476333146 /nfs/dbraw/zinc/33/31/46/476333146.db2.gz BGEIFCSVSSYSON-UHFFFAOYSA-N -1 0 344.295 2.682 10 5 EFBERM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354058468 476397583 /nfs/dbraw/zinc/39/75/83/476397583.db2.gz HVXCUGKSEAHBJD-GFCCVEGCSA-N -1 0 334.715 2.817 10 5 EFBERM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000354174375 476479901 /nfs/dbraw/zinc/47/99/01/476479901.db2.gz XJZFRQICFWBILE-JTQLQIEISA-N -1 0 334.303 2.637 10 5 EFBERM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000354174376 476480173 /nfs/dbraw/zinc/48/01/73/476480173.db2.gz XJZFRQICFWBILE-SNVBAGLBSA-N -1 0 334.303 2.637 10 5 EFBERM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377677187 476514119 /nfs/dbraw/zinc/51/41/19/476514119.db2.gz RJAHZBZTDWCGBY-UHFFFAOYSA-N -1 0 341.323 2.828 10 5 EFBERM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000369901907 476581163 /nfs/dbraw/zinc/58/11/63/476581163.db2.gz IJBBMDFGCVAVDH-WMLDXEAASA-N -1 0 342.351 2.808 10 5 EFBERM CN(C)c1cccc(CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354373363 476617967 /nfs/dbraw/zinc/61/79/67/476617967.db2.gz ASRRZLSCWYGOIG-UHFFFAOYSA-N -1 0 329.356 2.639 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000365599454 476641413 /nfs/dbraw/zinc/64/14/13/476641413.db2.gz DOGYFLIGURHGAC-LLVKDONJSA-N -1 0 345.330 2.905 10 5 EFBERM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000365653324 476663712 /nfs/dbraw/zinc/66/37/12/476663712.db2.gz KGGWNJZPWAFUIE-RHSMWYFYSA-N -1 0 342.351 2.951 10 5 EFBERM C[C@@H](COCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000379460825 476726969 /nfs/dbraw/zinc/72/69/69/476726969.db2.gz SGCIDLDJSCITJT-LBPRGKRZSA-N -1 0 330.340 2.636 10 5 EFBERM O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375604432 476912318 /nfs/dbraw/zinc/91/23/18/476912318.db2.gz GEZJWOVTDQDVGG-CYBMUJFWSA-N -1 0 332.287 2.693 10 5 EFBERM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375623469 476924027 /nfs/dbraw/zinc/92/40/27/476924027.db2.gz JTQUGRXNOKWFJD-AWEZNQCLSA-N -1 0 328.324 2.781 10 5 EFBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)s1 ZINC000431624275 477063034 /nfs/dbraw/zinc/06/30/34/477063034.db2.gz VUGQDBKMTPQXDV-LLVKDONJSA-N -1 0 348.352 2.941 10 5 EFBERM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000432008739 477137234 /nfs/dbraw/zinc/13/72/34/477137234.db2.gz RWHNMUCUMQZYMR-UHFFFAOYSA-N -1 0 329.312 2.866 10 5 EFBERM Cc1cc(=NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[n-]nc1C ZINC000448349665 477163601 /nfs/dbraw/zinc/16/36/01/477163601.db2.gz AFCSAMSMOSELIC-UHFFFAOYSA-N -1 0 340.261 2.695 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000376084322 477167818 /nfs/dbraw/zinc/16/78/18/477167818.db2.gz VPDWUCIKGSRUPK-GOSISDBHSA-N -1 0 340.335 2.572 10 5 EFBERM CC1(c2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)no2)CCCC1 ZINC000448416995 477174007 /nfs/dbraw/zinc/17/40/07/477174007.db2.gz XDSKBHHZAZGLKU-UHFFFAOYSA-N -1 0 331.328 2.794 10 5 EFBERM CCO[C@H]1C[C@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000376143993 477196382 /nfs/dbraw/zinc/19/63/82/477196382.db2.gz WIZHMEADIWBAPI-GJZGRUSLSA-N -1 0 334.372 2.720 10 5 EFBERM C[C@@H](CCCc1cccnc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000457949036 477271088 /nfs/dbraw/zinc/27/10/88/477271088.db2.gz UJVCAAQIDMKVGE-LBPRGKRZSA-N -1 0 329.356 2.837 10 5 EFBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000371766604 477485946 /nfs/dbraw/zinc/48/59/46/477485946.db2.gz PDVSDQDIZKVNCL-AWEZNQCLSA-N -1 0 346.314 2.733 10 5 EFBERM COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)c(OC)c1 ZINC000436487857 477492900 /nfs/dbraw/zinc/49/29/00/477492900.db2.gz KYLFQEMEIXFUFM-UHFFFAOYSA-N -1 0 332.312 2.878 10 5 EFBERM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436664266 477550181 /nfs/dbraw/zinc/55/01/81/477550181.db2.gz KDAPOIHNZFXQQE-SECBINFHSA-N -1 0 334.303 2.939 10 5 EFBERM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436770120 477586146 /nfs/dbraw/zinc/58/61/46/477586146.db2.gz LIEHPZTXASGBIC-MAUKXSAKSA-N -1 0 342.351 2.769 10 5 EFBERM COc1cccc(C[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436784493 477589523 /nfs/dbraw/zinc/58/95/23/477589523.db2.gz QKKQZYJBTINKDS-NSHDSACASA-N -1 0 330.340 2.670 10 5 EFBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436843002 477610006 /nfs/dbraw/zinc/61/00/06/477610006.db2.gz ZRYWGFNNPLBQNN-UHFFFAOYSA-N -1 0 337.335 2.911 10 5 EFBERM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436874080 477621302 /nfs/dbraw/zinc/62/13/02/477621302.db2.gz SDYHREUOBLLZEM-UHFFFAOYSA-N -1 0 343.314 2.893 10 5 EFBERM O=C(NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436900931 477629838 /nfs/dbraw/zinc/62/98/38/477629838.db2.gz FMTWGQACDIWRIX-UHFFFAOYSA-N -1 0 333.319 2.672 10 5 EFBERM O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436921607 477635732 /nfs/dbraw/zinc/63/57/32/477635732.db2.gz WJPYNCAEIZJRFT-UHFFFAOYSA-N -1 0 340.257 2.690 10 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UEAGZIPIMYYNIU-UHFFFAOYSA-N -1 0 338.389 2.634 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC=C(c2ccccn2)C1 ZINC000560791384 478132114 /nfs/dbraw/zinc/13/21/14/478132114.db2.gz RMLVTJKZEITZSP-UHFFFAOYSA-N -1 0 325.324 2.625 10 5 EFBERM Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000519761570 478257467 /nfs/dbraw/zinc/25/74/67/478257467.db2.gz AACWMSYBOYDWQP-GWCFXTLKSA-N -1 0 329.356 2.998 10 5 EFBERM O=C([O-])c1csc(C2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000520235324 478288382 /nfs/dbraw/zinc/28/83/82/478288382.db2.gz XRWKOKQJBHMZHC-UHFFFAOYSA-N -1 0 334.357 2.529 10 5 EFBERM CN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000579424405 478290975 /nfs/dbraw/zinc/29/09/75/478290975.db2.gz KHUWRSYYEDXDIW-UHFFFAOYSA-N -1 0 329.312 2.957 10 5 EFBERM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000597443265 478354986 /nfs/dbraw/zinc/35/49/86/478354986.db2.gz RXRIEFASOASKRI-CYBMUJFWSA-N -1 0 336.344 2.607 10 5 EFBERM CC1(C)OC[C@H]2C[C@]21C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597466613 478365224 /nfs/dbraw/zinc/36/52/24/478365224.db2.gz GLNBPIOVFGGQHX-NXSYQRQQSA-N -1 0 326.736 2.707 10 5 EFBERM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000594411030 478370833 /nfs/dbraw/zinc/37/08/33/478370833.db2.gz GGOGYWAWSSCJBY-KWQFWETISA-N -1 0 348.277 2.530 10 5 EFBERM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000594413487 478371147 /nfs/dbraw/zinc/37/11/47/478371147.db2.gz ZNEWEISPTWPEMC-SKDRFNHKSA-N -1 0 348.277 2.530 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000590883776 478383333 /nfs/dbraw/zinc/38/33/33/478383333.db2.gz ACRIMLSTWXKSFG-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000590884194 478384335 /nfs/dbraw/zinc/38/43/35/478384335.db2.gz XBOIJJWWVADBSQ-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc([N+](=O)[O-])c1 ZINC000594461622 478398389 /nfs/dbraw/zinc/39/83/89/478398389.db2.gz JTFLAJRLYVGDEV-LEWSCRJBSA-N -1 0 334.372 2.768 10 5 EFBERM Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1[N+](=O)[O-] ZINC000594463473 478399360 /nfs/dbraw/zinc/39/93/60/478399360.db2.gz QBCIPHLKHYFMNK-WCFLWFBJSA-N -1 0 334.372 2.768 10 5 EFBERM CCO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1CC)C1CC1 ZINC000600653303 478456029 /nfs/dbraw/zinc/45/60/29/478456029.db2.gz GCJXUAWAXJRYKQ-OAHLLOKOSA-N -1 0 342.417 2.714 10 5 EFBERM CCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000600669786 478460753 /nfs/dbraw/zinc/46/07/53/478460753.db2.gz FQISHMJUPVFJAI-UHFFFAOYSA-N -1 0 338.389 2.537 10 5 EFBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000597690950 478465564 /nfs/dbraw/zinc/46/55/64/478465564.db2.gz HEMNZWDUYRITDB-LBPRGKRZSA-N -1 0 327.340 2.715 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000582064400 478502209 /nfs/dbraw/zinc/50/22/09/478502209.db2.gz DYDBAVPBGOLWDZ-BXKDBHETSA-N -1 0 340.763 2.595 10 5 EFBERM Cc1ccc(S(=O)(=O)[N-]c2cncc3c2CCCC3)cc1[N+](=O)[O-] ZINC000594725628 478515954 /nfs/dbraw/zinc/51/59/54/478515954.db2.gz BJTJAEJRHFNQED-UHFFFAOYSA-N -1 0 347.396 2.978 10 5 EFBERM Cc1cc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)s1 ZINC000594746436 478527720 /nfs/dbraw/zinc/52/77/20/478527720.db2.gz PVOLCSFZCSWSAB-SECBINFHSA-N -1 0 341.414 2.708 10 5 EFBERM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594752862 478530423 /nfs/dbraw/zinc/53/04/23/478530423.db2.gz OZRIOILDQAXXMK-LBPRGKRZSA-N -1 0 327.406 2.627 10 5 EFBERM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000594759388 478533611 /nfs/dbraw/zinc/53/36/11/478533611.db2.gz KEJHOOISNNMAQN-GFCCVEGCSA-N -1 0 349.412 2.634 10 5 EFBERM CCCC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCC1 ZINC000594759937 478534589 /nfs/dbraw/zinc/53/45/89/478534589.db2.gz MSRNCUXTIYIWTL-GFCCVEGCSA-N -1 0 327.406 2.627 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCCC12CCCCC2 ZINC000594792414 478543307 /nfs/dbraw/zinc/54/33/07/478543307.db2.gz NYJHBFZPRMKOIE-CYBMUJFWSA-N -1 0 339.417 2.771 10 5 EFBERM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600868656 478545285 /nfs/dbraw/zinc/54/52/85/478545285.db2.gz IWPSTNIWMKZDEY-WMLDXEAASA-N -1 0 346.383 2.776 10 5 EFBERM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600868654 478545490 /nfs/dbraw/zinc/54/54/90/478545490.db2.gz IWPSTNIWMKZDEY-RHSMWYFYSA-N -1 0 346.383 2.776 10 5 EFBERM Cc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000600867984 478545739 /nfs/dbraw/zinc/54/57/39/478545739.db2.gz FABZMXKCDWMXPT-UHFFFAOYSA-N -1 0 332.312 2.509 10 5 EFBERM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880224 478550654 /nfs/dbraw/zinc/55/06/54/478550654.db2.gz YQFKZUZDRMLTRQ-HYSWKAIVSA-N -1 0 334.372 2.837 10 5 EFBERM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)C2 ZINC000594861547 478564538 /nfs/dbraw/zinc/56/45/38/478564538.db2.gz QJMLVJSYXBTLHX-ABAIWWIYSA-N -1 0 347.396 2.510 10 5 EFBERM Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000594874412 478570325 /nfs/dbraw/zinc/57/03/25/478570325.db2.gz LKZITCCWOASQIO-LBPRGKRZSA-N -1 0 345.351 2.957 10 5 EFBERM Cc1ccc(OCCC(=O)[O-])c(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000594874395 478570614 /nfs/dbraw/zinc/57/06/14/478570614.db2.gz KGYXWVIXJCZQRF-UHFFFAOYSA-N -1 0 345.351 2.959 10 5 EFBERM O=C([O-])[C@@H]1CCc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc21 ZINC000594874370 478570752 /nfs/dbraw/zinc/57/07/52/478570752.db2.gz HMFUZMBMLUOOJU-MRXNPFEDSA-N -1 0 327.336 2.911 10 5 EFBERM COC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594969079 478612527 /nfs/dbraw/zinc/61/25/27/478612527.db2.gz MFSUCUPDXBPLHS-INIZCTEOSA-N -1 0 332.356 2.786 10 5 EFBERM Cc1ccc([C@@H](C)NC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000563673386 478615163 /nfs/dbraw/zinc/61/51/63/478615163.db2.gz TZKJBJSCOICOBB-ZWNOBZJWSA-N -1 0 335.360 2.517 10 5 EFBERM Cc1oc(C(=O)[O-])cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595243758 478698985 /nfs/dbraw/zinc/69/89/85/478698985.db2.gz HOGXZDAEGSDQBT-UHFFFAOYSA-N -1 0 346.339 2.947 10 5 EFBERM CC(C)(C)c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)cc1[N+](=O)[O-] ZINC000595244527 478699960 /nfs/dbraw/zinc/69/99/60/478699960.db2.gz KGNHVXUREKFNJU-UHFFFAOYSA-N -1 0 332.356 2.582 10 5 EFBERM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595247747 478701169 /nfs/dbraw/zinc/70/11/69/478701169.db2.gz OYEHBLMYSIMRRE-TXEJJXNPSA-N -1 0 334.372 2.828 10 5 EFBERM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598205332 478702631 /nfs/dbraw/zinc/70/26/31/478702631.db2.gz YLNIJBSOURRNAW-ZFWWWQNUSA-N -1 0 342.351 2.603 10 5 EFBERM CC(C)c1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595252922 478702768 /nfs/dbraw/zinc/70/27/68/478702768.db2.gz RVZCPRIRVIUDRP-OAHLLOKOSA-N -1 0 326.324 2.651 10 5 EFBERM CC([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000595363834 478749039 /nfs/dbraw/zinc/74/90/39/478749039.db2.gz JSGRJCFBPAMJAN-UHFFFAOYSA-N -1 0 328.365 2.591 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000598300584 478752236 /nfs/dbraw/zinc/75/22/36/478752236.db2.gz JPTIFULJHRIBPF-INIZCTEOSA-N -1 0 334.372 2.722 10 5 EFBERM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595382151 478756107 /nfs/dbraw/zinc/75/61/07/478756107.db2.gz RFKSHKQVWXSAOE-UHFFFAOYSA-N -1 0 340.323 2.694 10 5 EFBERM O=C(NC1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598317851 478764951 /nfs/dbraw/zinc/76/49/51/478764951.db2.gz OTNOMBLQHNVLRU-UHFFFAOYSA-N -1 0 326.299 2.998 10 5 EFBERM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])cn1 ZINC000543705909 478768847 /nfs/dbraw/zinc/76/88/47/478768847.db2.gz FZRHCTRWTWHHIL-UHFFFAOYSA-N -1 0 333.354 2.822 10 5 EFBERM CC(C)[C@@H](O)[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000598355515 478785619 /nfs/dbraw/zinc/78/56/19/478785619.db2.gz VSTOIWRYIWTPMB-DOTOQJQBSA-N -1 0 344.367 2.788 10 5 EFBERM CC(C)[C@H](O)[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000598355518 478786057 /nfs/dbraw/zinc/78/60/57/478786057.db2.gz VSTOIWRYIWTPMB-WBVHZDCISA-N -1 0 344.367 2.788 10 5 EFBERM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598379802 478796092 /nfs/dbraw/zinc/79/60/92/478796092.db2.gz XFHAGVLNKNPWBG-AWEZNQCLSA-N -1 0 341.367 2.651 10 5 EFBERM Cc1ccc([C@H](C)NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000592207096 478826888 /nfs/dbraw/zinc/82/68/88/478826888.db2.gz LLXHLRKATBILFU-LBPRGKRZSA-N -1 0 349.387 2.861 10 5 EFBERM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601417331 478827361 /nfs/dbraw/zinc/82/73/61/478827361.db2.gz PCOGSLQOQXEFJA-QMMMGPOBSA-N -1 0 344.336 2.584 10 5 EFBERM O=C([O-])[C@@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000592216041 478830019 /nfs/dbraw/zinc/83/00/19/478830019.db2.gz XPSCXODXJWUNFP-OLZOCXBDSA-N -1 0 347.371 2.522 10 5 EFBERM Cc1cc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])s1 ZINC000601468449 478846744 /nfs/dbraw/zinc/84/67/44/478846744.db2.gz PNRGIGRMNNQPBD-MRVPVSSYSA-N -1 0 340.373 2.534 10 5 EFBERM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(C)(C(=O)[O-])CC1 ZINC000592420009 478889363 /nfs/dbraw/zinc/88/93/63/478889363.db2.gz WIXFCGVMGFDJLV-UHFFFAOYSA-N -1 0 345.355 2.843 10 5 EFBERM Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034320 478890409 /nfs/dbraw/zinc/89/04/09/478890409.db2.gz DTIIZXXOUWGBKC-NWANDNLSSA-N -1 0 334.372 2.731 10 5 EFBERM C[C@@]1(c2ccccc2)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000565035700 478892864 /nfs/dbraw/zinc/89/28/64/478892864.db2.gz OPJFGQGUAPKFFI-QGZVFWFLSA-N -1 0 327.340 2.856 10 5 EFBERM C[C@H](COc1cccc(F)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507441805 478922373 /nfs/dbraw/zinc/92/23/73/478922373.db2.gz PAPOZJRUAHVMCJ-SNVBAGLBSA-N -1 0 334.303 2.637 10 5 EFBERM Cc1ccc(C[C@H](CO)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000583874617 478960795 /nfs/dbraw/zinc/96/07/95/478960795.db2.gz AJHUOXCMUFTJQL-OAHLLOKOSA-N -1 0 344.367 2.925 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601743418 478980548 /nfs/dbraw/zinc/98/05/48/478980548.db2.gz RFJFNMOIYRXOCX-UHFFFAOYSA-N -1 0 347.396 2.852 10 5 EFBERM COc1nc(C)cc(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598780640 479023192 /nfs/dbraw/zinc/02/31/92/479023192.db2.gz UFVGACPOBVLQLA-UHFFFAOYSA-N -1 0 345.355 2.593 10 5 EFBERM O=C([O-])[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000596002229 479091271 /nfs/dbraw/zinc/09/12/71/479091271.db2.gz IZQWDAOJPARWIX-GFCCVEGCSA-N -1 0 332.312 2.572 10 5 EFBERM O=C(NC[C@H]1CCc2cccnc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598950244 479097634 /nfs/dbraw/zinc/09/76/34/479097634.db2.gz 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O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)[C@H]1CCc2ccccc21 ZINC000593207007 479240118 /nfs/dbraw/zinc/24/01/18/479240118.db2.gz VHHRPHLQNFNPID-INIZCTEOSA-N -1 0 333.365 2.903 10 5 EFBERM CCc1ccncc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000593283197 479275123 /nfs/dbraw/zinc/27/51/23/479275123.db2.gz CGLIPPFOOFYJLS-UHFFFAOYSA-N -1 0 335.385 2.970 10 5 EFBERM CCOC(=O)c1ccnc([N-]c2cnn(C)c2C(F)F)c1[N+](=O)[O-] ZINC000611143805 479293697 /nfs/dbraw/zinc/29/36/97/479293697.db2.gz NDAFENQURWYLKO-UHFFFAOYSA-N -1 0 341.274 2.581 10 5 EFBERM CSc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000611231530 479317397 /nfs/dbraw/zinc/31/73/97/479317397.db2.gz UJCSLBNDYVMTLA-UHFFFAOYSA-N -1 0 339.398 2.821 10 5 EFBERM COCCOCc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000586601717 479342046 /nfs/dbraw/zinc/34/20/46/479342046.db2.gz IGNNKYAMAAQNDN-UHFFFAOYSA-N -1 0 346.339 2.716 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCO[C@H](c2ccccc2)C1 ZINC000586774841 479349621 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2.779 10 5 EFBERM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000593952575 479518555 /nfs/dbraw/zinc/51/85/55/479518555.db2.gz DWSOJKDXQHTOLP-OAHLLOKOSA-N -1 0 349.387 2.818 10 5 EFBERM CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000589542360 479538877 /nfs/dbraw/zinc/53/88/77/479538877.db2.gz VXBQTHVZQDAYAQ-OAHLLOKOSA-N -1 0 338.385 2.694 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000590401201 479639292 /nfs/dbraw/zinc/63/92/92/479639292.db2.gz IXCMTCJNWYWSLM-LBPRGKRZSA-N -1 0 327.340 2.715 10 5 EFBERM CC(C)(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000618939836 479647393 /nfs/dbraw/zinc/64/73/93/479647393.db2.gz SWWLEPGHIGIVEP-JTQLQIEISA-N -1 0 329.740 2.869 10 5 EFBERM C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000619542640 479822939 /nfs/dbraw/zinc/82/29/39/479822939.db2.gz XDHAGBFOCDCQNI-HQRZJTNHSA-N -1 0 347.371 2.551 10 5 EFBERM CCc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)no1 ZINC000610499726 480323484 /nfs/dbraw/zinc/32/34/84/480323484.db2.gz DJYADQNIHRUGQY-UHFFFAOYSA-N -1 0 325.346 2.563 10 5 EFBERM CC(C)(C)c1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000089540860 519131272 /nfs/dbraw/zinc/13/12/72/519131272.db2.gz UKAMQAAASANPPM-UHFFFAOYSA-N -1 0 334.332 2.552 10 5 EFBERM Cc1cc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000237739533 524095591 /nfs/dbraw/zinc/09/55/91/524095591.db2.gz DZEWRXSBDCXTKY-HNNXBMFYSA-N -1 0 342.351 2.577 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000263291131 524338383 /nfs/dbraw/zinc/33/83/83/524338383.db2.gz YSYMZPWYNBLJLZ-UHFFFAOYSA-N -1 0 334.372 2.975 10 5 EFBERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000180757032 525003179 /nfs/dbraw/zinc/00/31/79/525003179.db2.gz SRYBTBJMVIXOKX-UHFFFAOYSA-N -1 0 325.321 2.547 10 5 EFBERM Cc1c(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000237805909 525623368 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COC(=O)c1coc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000758865375 575879055 /nfs/dbraw/zinc/87/90/55/575879055.db2.gz OAKRIEKLOANRLF-UHFFFAOYSA-N -1 0 326.211 2.505 10 5 EFBERM Cc1nc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)s1 ZINC000760364525 576012446 /nfs/dbraw/zinc/01/24/46/576012446.db2.gz DLLHQKNSPXWZND-UHFFFAOYSA-N -1 0 345.377 2.916 10 5 EFBERM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000762264138 576282891 /nfs/dbraw/zinc/28/28/91/576282891.db2.gz OLOMJFTYKIJFEL-VIFPVBQESA-N -1 0 331.284 2.951 10 5 EFBERM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1ccccc1C(=O)[O-])CC2 ZINC000762362406 576294334 /nfs/dbraw/zinc/29/43/34/576294334.db2.gz AMDZSVXOLJQEOR-UHFFFAOYSA-N -1 0 340.335 2.733 10 5 EFBERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000763924177 576410756 /nfs/dbraw/zinc/41/07/56/576410756.db2.gz LYZOPGQGHRYJSX-GFCCVEGCSA-N -1 0 348.380 2.512 10 5 EFBERM CN1CCCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000769073841 577331219 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HPQXZYLYXMOZGG-UHFFFAOYSA-N -1 0 344.295 2.688 10 5 EFBERM CSc1ncc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001137044085 1278570166 /nfs/dbraw/zinc/57/01/66/1278570166.db2.gz AVSRVHYMYOAYDG-SECBINFHSA-N -1 0 348.384 2.612 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2nccnc2cc1F ZINC000792313125 1278720374 /nfs/dbraw/zinc/72/03/74/1278720374.db2.gz USQNZPQSOJVMAV-UHFFFAOYSA-N -1 0 328.259 2.635 10 5 EFBERM O=C([O-])/C=C/c1ccc(N[C@H]2CCCC(F)(F)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000844216115 1278816339 /nfs/dbraw/zinc/81/63/39/1278816339.db2.gz NRFNZCLUGCKDQY-ICCMNZRJSA-N -1 0 342.298 2.653 10 5 EFBERM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788309052 1276123203 /nfs/dbraw/zinc/12/32/03/1276123203.db2.gz RJVIQNPQOTXLBW-HWPZZCPQSA-N -1 0 348.330 2.682 10 5 EFBERM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788310292 1276142235 /nfs/dbraw/zinc/14/22/35/1276142235.db2.gz XAZOAISVDUZAEJ-INIZCTEOSA-N -1 0 342.351 2.544 10 5 EFBERM Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc1[N+](=O)[O-] ZINC001136103171 1276442789 /nfs/dbraw/zinc/44/27/89/1276442789.db2.gz UZDQWVRJMRZAOE-UHFFFAOYSA-N -1 0 346.343 2.834 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC1(C)C ZINC000789483676 1276747932 /nfs/dbraw/zinc/74/79/32/1276747932.db2.gz QHHSAWXXTNKQFG-LLVKDONJSA-N -1 0 340.401 2.534 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC1(C)C ZINC000789483678 1276748092 /nfs/dbraw/zinc/74/80/92/1276748092.db2.gz QHHSAWXXTNKQFG-NSHDSACASA-N -1 0 340.401 2.534 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000789484796 1276748132 /nfs/dbraw/zinc/74/81/32/1276748132.db2.gz URWUXHQJDWJERJ-UHFFFAOYSA-N -1 0 340.401 2.679 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000789487516 1276749617 /nfs/dbraw/zinc/74/96/17/1276749617.db2.gz VHFQYMMMQZHWSJ-CMPLNLGQSA-N -1 0 340.401 2.534 10 5 EFBERM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C 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327.768 2.862 10 5 EFBERM COCc1ccnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001640620977 1101065641 /nfs/dbraw/zinc/06/56/41/1101065641.db2.gz RXFKBHXGAUAULI-UHFFFAOYSA-N -1 0 337.719 2.748 10 5 EFBERM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC001641077377 1101099906 /nfs/dbraw/zinc/09/99/06/1101099906.db2.gz WMJKVEZLKSUIPT-NUEKZKHPSA-N -1 0 328.299 2.508 10 5 EFBERM CC(C)[C@@H](O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001641257997 1101118888 /nfs/dbraw/zinc/11/88/88/1101118888.db2.gz RFULKDDWAGMZQE-HZPDHXFCSA-N -1 0 344.367 2.788 10 5 EFBERM CC[C@@H](CNc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001641582031 1101148676 /nfs/dbraw/zinc/14/86/76/1101148676.db2.gz MUHWZKMLOZVBNV-LBPRGKRZSA-N -1 0 329.356 2.921 10 5 EFBERM CCC(CC)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC ZINC001641742214 1101161309 /nfs/dbraw/zinc/16/13/09/1101161309.db2.gz XNNKAXFFOVUORW-UHFFFAOYSA-N -1 0 330.768 2.889 10 5 EFBERM CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC001642535442 1101221102 /nfs/dbraw/zinc/22/11/02/1101221102.db2.gz CSGVOYCONANNAW-UHFFFAOYSA-N -1 0 326.308 2.659 10 5 EFBERM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccccc1 ZINC001651491316 1101338407 /nfs/dbraw/zinc/33/84/07/1101338407.db2.gz DNDARNCLIWDZPX-ZFWWWQNUSA-N -1 0 330.340 2.542 10 5 EFBERM Cc1ccc(C([O-])=CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001651659879 1101363328 /nfs/dbraw/zinc/36/33/28/1101363328.db2.gz VIXSPPRJJPDSKJ-UHFFFAOYSA-N -1 0 333.365 2.868 10 5 EFBERM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001651795875 1101382591 /nfs/dbraw/zinc/38/25/91/1101382591.db2.gz IATKDTGQENWXGP-XHDPSFHLSA-N -1 0 332.287 2.502 10 5 EFBERM CNc1ccc(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001652311440 1101473281 /nfs/dbraw/zinc/47/32/81/1101473281.db2.gz VLXMROUOBKRBSY-UHFFFAOYSA-N -1 0 347.302 2.936 10 5 EFBERM O=C(N[C@@H]1CCCc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001653096358 1101584802 /nfs/dbraw/zinc/58/48/02/1101584802.db2.gz VAKWABCHAPBECU-OAHLLOKOSA-N -1 0 326.352 2.978 10 5 EFBERM C[S@@](=O)(=NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC001653617906 1101635756 /nfs/dbraw/zinc/63/57/56/1101635756.db2.gz GUQCTWJQTYLSQC-QHCPKHFHSA-N -1 0 338.316 2.737 10 5 EFBERM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000588447202 1102570394 /nfs/dbraw/zinc/57/03/94/1102570394.db2.gz AJGYXKHWKNMLHW-QXMHVHEDSA-N -1 0 346.364 2.503 10 5 EFBERM Cc1nc2c(nccc2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000437007020 1104180756 /nfs/dbraw/zinc/18/07/56/1104180756.db2.gz ZKEFMDGINVPXLF-UHFFFAOYSA-N -1 0 347.718 2.786 10 5 EFBERM Cn1ncc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1Cl ZINC001168364015 1109195017 /nfs/dbraw/zinc/19/50/17/1109195017.db2.gz BPRWPEHTOCSOFS-UHFFFAOYSA-N -1 0 331.115 2.593 10 5 EFBERM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000914730707 1111346568 /nfs/dbraw/zinc/34/65/68/1111346568.db2.gz PCVGKFDYQSVFFI-DAXSKMNVSA-N -1 0 327.296 2.648 10 5 EFBERM CC(C)Cn1[n-]c(CC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1=O ZINC001124996966 1119905202 /nfs/dbraw/zinc/90/52/02/1119905202.db2.gz WTGXHKFGZYQRBM-GFCCVEGCSA-N -1 0 347.371 2.588 10 5 EFBERM CCc1nccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179484429 529760683 /nfs/dbraw/zinc/76/06/83/529760683.db2.gz FAVGWOWPICTYSN-CYBMUJFWSA-N -1 0 344.371 2.537 10 5 EFBERM O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367207595 303980128 /nfs/dbraw/zinc/98/01/28/303980128.db2.gz YHHGMDQBKSAMBB-ZDUSSCGKSA-N -1 0 332.287 2.693 10 5 EFBERM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000339342659 303999759 /nfs/dbraw/zinc/99/97/59/303999759.db2.gz GHDXQOQSSHUWRF-UHFFFAOYSA-N -1 0 345.286 2.577 10 5 EFBERM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439140506 299247307 /nfs/dbraw/zinc/24/73/07/299247307.db2.gz JYSLHPACJNLKIU-PSVSLLHZSA-N -1 0 342.351 2.983 10 5 EFBERM O=[N+]([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000037981183 213181591 /nfs/dbraw/zinc/18/15/91/213181591.db2.gz CYLNAZQQPYMMMZ-UHFFFAOYSA-N -1 0 331.712 2.583 10 5 EFBERM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000131461218 223234748 /nfs/dbraw/zinc/23/47/48/223234748.db2.gz FUAXWQAYYQLEKQ-WBMJQRKESA-N -1 0 342.351 2.903 10 5 EFBERM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)ccc1[O-] ZINC000193482586 240111776 /nfs/dbraw/zinc/11/17/76/240111776.db2.gz VZNNGTNRNZGZTL-UHFFFAOYSA-N -1 0 333.325 2.583 10 5 EFBERM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000346780409 296105804 /nfs/dbraw/zinc/10/58/04/296105804.db2.gz KAPDSBHXKIWQJN-RFAUZJTJSA-N -1 0 348.380 2.794 10 5 EFBERM COc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000021028326 212202547 /nfs/dbraw/zinc/20/25/47/212202547.db2.gz XNTJSOYBTBMETM-JTQLQIEISA-N -1 0 332.312 2.715 10 5 EFBERM CCCc1cc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n[nH]1 ZINC000414443565 244164256 /nfs/dbraw/zinc/16/42/56/244164256.db2.gz NRDGTTQLAKOQED-UHFFFAOYSA-N -1 0 338.389 2.688 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(C)cc1[N+](=O)[O-] ZINC000414448490 244166798 /nfs/dbraw/zinc/16/67/98/244166798.db2.gz AKWHOKDPLNEETR-UHFFFAOYSA-N -1 0 348.384 2.680 10 5 EFBERM Cc1noc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000414446560 244166866 /nfs/dbraw/zinc/16/68/66/244166866.db2.gz VAYFSKGZUUBRFG-UHFFFAOYSA-N -1 0 325.346 2.617 10 5 EFBERM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000427654230 247379362 /nfs/dbraw/zinc/37/93/62/247379362.db2.gz MQFUJRIATHGYNZ-UHFFFAOYSA-N -1 0 346.368 2.889 10 5 EFBERM Cc1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc(C)c1O ZINC000436841549 249612568 /nfs/dbraw/zinc/61/25/68/249612568.db2.gz SWCUIURAVXFCLS-UHFFFAOYSA-N -1 0 330.340 2.595 10 5 EFBERM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000443352946 250188488 /nfs/dbraw/zinc/18/84/88/250188488.db2.gz FJDYYYBPXLVCKU-UHFFFAOYSA-N -1 0 331.737 2.654 10 5 EFBERM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000009467931 211087767 /nfs/dbraw/zinc/08/77/67/211087767.db2.gz WOCYSCVSWXBADL-UHFFFAOYSA-N -1 0 326.305 2.543 10 5 EFBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc2c(c1)OCCO2 ZINC000349563549 304228224 /nfs/dbraw/zinc/22/82/24/304228224.db2.gz PNOQRCBPCXMEDA-IWQZZHSRSA-N -1 0 328.280 2.630 10 5 EFBERM CC(C)(C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000450137979 251273902 /nfs/dbraw/zinc/27/39/02/251273902.db2.gz XCQGKCWHDDILMU-UHFFFAOYSA-N -1 0 342.277 2.675 10 5 EFBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000119193999 221263422 /nfs/dbraw/zinc/26/34/22/221263422.db2.gz CVGYELWMPBHZIO-AWEZNQCLSA-N -1 0 334.353 2.576 10 5 EFBERM CCCc1nc(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000411893167 535476369 /nfs/dbraw/zinc/47/63/69/535476369.db2.gz NZOZJQCYRJPNCA-NWDGAFQWSA-N -1 0 332.385 2.563 10 5 EFBERM COc1ccccc1O[C@H](C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343144546 141944363 /nfs/dbraw/zinc/94/43/63/141944363.db2.gz AIRGTZGGXXZAPD-LLVKDONJSA-N -1 0 346.339 2.506 10 5 EFBERM O=C(Nc1ccc(N2CCCC2)nc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346015474 142133708 /nfs/dbraw/zinc/13/37/08/142133708.db2.gz LMJDMSIUGNKXNZ-UHFFFAOYSA-N -1 0 328.328 2.548 10 5 EFBERM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000346130993 142151417 /nfs/dbraw/zinc/15/14/17/142151417.db2.gz AFMNLUKLSUVKFS-GFCCVEGCSA-N -1 0 329.356 2.555 10 5 EFBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc2c(c1)OCCO2 ZINC000349563548 142337741 /nfs/dbraw/zinc/33/77/41/142337741.db2.gz PNOQRCBPCXMEDA-HNQUOIGGSA-N -1 0 328.280 2.630 10 5 EFBERM CN(CCOCc1ccccc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343798937 145297812 /nfs/dbraw/zinc/29/78/12/145297812.db2.gz ZCQJDYPNTPXJRH-UHFFFAOYSA-N -1 0 330.340 2.589 10 5 EFBERM O=C(Nc1ccc(-c2ncon2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351816727 146209333 /nfs/dbraw/zinc/20/93/33/146209333.db2.gz SFKXGFHNKRALHO-UHFFFAOYSA-N -1 0 326.268 2.603 10 5 EFBERM COc1ccc(OC)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000353613660 146523710 /nfs/dbraw/zinc/52/37/10/146523710.db2.gz OUQGIXPREPDETD-HWKANZROSA-N -1 0 330.296 2.876 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000355937225 147103459 /nfs/dbraw/zinc/10/34/59/147103459.db2.gz HTYYOFKIEOGRNO-BJOHPYRUSA-N -1 0 348.380 2.794 10 5 EFBERM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000356309730 147207985 /nfs/dbraw/zinc/20/79/85/147207985.db2.gz GOZCFUIKPYHWLB-VIFPVBQESA-N -1 0 330.296 2.520 10 5 EFBERM CCOCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356326918 147213332 /nfs/dbraw/zinc/21/33/32/147213332.db2.gz ZWCWDWZJWMNNAQ-UHFFFAOYSA-N -1 0 346.339 2.968 10 5 EFBERM COc1cccc(C[C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356579765 147282656 /nfs/dbraw/zinc/28/26/56/147282656.db2.gz QATPUVCYXVKCSX-LLVKDONJSA-N -1 0 330.340 2.670 10 5 EFBERM Cn1cc([C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000356780523 147333701 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O=C(CSc1nc(C2CC2)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000195083818 474002404 /nfs/dbraw/zinc/00/24/04/474002404.db2.gz PPMYIBMXCHORKM-UHFFFAOYSA-N -1 0 331.353 2.943 10 5 EFBERM COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181983265 474074510 /nfs/dbraw/zinc/07/45/10/474074510.db2.gz ZWLAHQCGGJKLMH-UHFFFAOYSA-N -1 0 330.340 2.624 10 5 EFBERM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182075840 474094362 /nfs/dbraw/zinc/09/43/62/474094362.db2.gz CAXZTLMLWKMDGL-UHFFFAOYSA-N -1 0 347.396 2.908 10 5 EFBERM Cc1cc(C)c(S(=O)(=O)Nc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000617203406 480128500 /nfs/dbraw/zinc/12/85/00/480128500.db2.gz ADOWWEOXMNMFNF-UHFFFAOYSA-N -1 0 340.332 2.857 10 5 EFBERM O=[N+]([O-])c1ccc([O-])cc1CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000339054155 474883876 /nfs/dbraw/zinc/88/38/76/474883876.db2.gz NZIZNZXZEGXUHW-DZGCQCFKSA-N -1 0 338.429 2.787 10 5 EFBERM CC(C)C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000317257188 474886276 /nfs/dbraw/zinc/88/62/76/474886276.db2.gz QJZNAMRAMDSYQF-SECBINFHSA-N -1 0 328.752 2.725 10 5 EFBERM Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339222955 475053978 /nfs/dbraw/zinc/05/39/78/475053978.db2.gz GUYBCBRZEOGUEM-UHFFFAOYSA-N -1 0 329.356 2.923 10 5 EFBERM CCNC(=O)c1ccc(C)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000339266809 475100169 /nfs/dbraw/zinc/10/01/69/475100169.db2.gz XPNQKKLMSLQZGA-UHFFFAOYSA-N -1 0 343.339 2.611 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261964713 475129857 /nfs/dbraw/zinc/12/98/57/475129857.db2.gz YFBYNLUMXKUQKU-DFBGVHRSSA-N -1 0 332.356 2.761 10 5 EFBERM O=C(NCCc1cccc2[nH]ccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000337635017 475200625 /nfs/dbraw/zinc/20/06/25/475200625.db2.gz FEVWBFFYSFECFB-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000345606811 475300253 /nfs/dbraw/zinc/30/02/53/475300253.db2.gz CIBHLVQBRSGWKN-UHFFFAOYSA-N -1 0 341.323 2.680 10 5 EFBERM CO[C@H](C)c1nc(=NCCc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000337786423 475322694 /nfs/dbraw/zinc/32/26/94/475322694.db2.gz BOJSGUNYIYSGRQ-MRVPVSSYSA-N -1 0 342.808 2.884 10 5 EFBERM O=C(NCc1ccccc1OC(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000358013478 475336765 /nfs/dbraw/zinc/33/67/65/475336765.db2.gz AZDGZKUHVJVXOX-UHFFFAOYSA-N -1 0 338.266 2.832 10 5 EFBERM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354694428 475342991 /nfs/dbraw/zinc/34/29/91/475342991.db2.gz KHVNVNDRQAYGBM-SUMWQHHRSA-N -1 0 342.351 2.951 10 5 EFBERM O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354758720 475387540 /nfs/dbraw/zinc/38/75/40/475387540.db2.gz DTBTXOLUJCXKCF-UHFFFAOYSA-N -1 0 344.352 2.682 10 5 EFBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345717670 475391565 /nfs/dbraw/zinc/39/15/65/475391565.db2.gz JLBNCQLIGAOOHD-NSHDSACASA-N -1 0 340.323 2.768 10 5 EFBERM COC(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1C ZINC000352590098 475441661 /nfs/dbraw/zinc/44/16/61/475441661.db2.gz LYQNJBHQAQUDMO-UHFFFAOYSA-N -1 0 330.296 2.648 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000361650540 475630851 /nfs/dbraw/zinc/63/08/51/475630851.db2.gz BKGJBQDZTSOVEJ-UHFFFAOYSA-N -1 0 343.270 2.946 10 5 EFBERM Cc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000361671168 475649312 /nfs/dbraw/zinc/64/93/12/475649312.db2.gz IDRQNKPSNGQEHS-MRXNPFEDSA-N -1 0 340.335 2.727 10 5 EFBERM COc1ccc(NC(C)=O)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000343156347 475815575 /nfs/dbraw/zinc/81/55/75/475815575.db2.gz XEFCLBCKDMRAAE-UHFFFAOYSA-N -1 0 345.311 2.520 10 5 EFBERM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346815705 475881831 /nfs/dbraw/zinc/88/18/31/475881831.db2.gz DPJUVLZQXPTIHH-NSHDSACASA-N -1 0 330.340 2.757 10 5 EFBERM CCOC(=O)Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000353363671 475902290 /nfs/dbraw/zinc/90/22/90/475902290.db2.gz KLYHSVPHVFSUCZ-UHFFFAOYSA-N -1 0 344.323 2.658 10 5 EFBERM COC(=O)c1ccc(C)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000355478874 475971971 /nfs/dbraw/zinc/97/19/71/475971971.db2.gz KKQFGKHZGYELRB-UHFFFAOYSA-N -1 0 330.296 2.648 10 5 EFBERM Cc1cccc(O[C@H](C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000353491964 476016517 /nfs/dbraw/zinc/01/65/17/476016517.db2.gz LXIMDPJXLMDHDL-GFCCVEGCSA-N -1 0 330.340 2.806 10 5 EFBERM O=C(NCc1coc(-c2ccccc2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353510714 476031627 /nfs/dbraw/zinc/03/16/27/476031627.db2.gz SCHZMUGHMXLUDB-UHFFFAOYSA-N -1 0 339.307 2.885 10 5 EFBERM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000343443822 476067961 /nfs/dbraw/zinc/06/79/61/476067961.db2.gz CIGACIHTZFYSQF-JTQLQIEISA-N -1 0 340.339 2.678 10 5 EFBERM CCCc1nc(=NC(=O)c2cc(SC)ccc2[N+](=O)[O-])s[n-]1 ZINC000338644160 476080114 /nfs/dbraw/zinc/08/01/14/476080114.db2.gz QOYLVBWLDDATLO-UHFFFAOYSA-N -1 0 338.414 2.795 10 5 EFBERM COc1ccc(OCc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000350596227 476259926 /nfs/dbraw/zinc/25/99/26/476259926.db2.gz NSZNKLIWTPDTDK-UHFFFAOYSA-N -1 0 343.295 2.938 10 5 EFBERM COc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1[N+](=O)[O-] ZINC000360735424 476359107 /nfs/dbraw/zinc/35/91/07/476359107.db2.gz DKTWAWOBWVJZGT-UHFFFAOYSA-N -1 0 339.307 2.697 10 5 EFBERM CCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000360800979 476397230 /nfs/dbraw/zinc/39/72/30/476397230.db2.gz JRESBVMDMNBJJC-UHFFFAOYSA-N -1 0 333.416 2.784 10 5 EFBERM COc1cccc2c1CC[C@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354083029 476413682 /nfs/dbraw/zinc/41/36/82/476413682.db2.gz MHHFYFPBBKCCDA-CQSZACIVSA-N -1 0 328.324 2.726 10 5 EFBERM COc1cccc2c1CC[C@@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354083028 476413782 /nfs/dbraw/zinc/41/37/82/476413782.db2.gz MHHFYFPBBKCCDA-AWEZNQCLSA-N -1 0 328.324 2.726 10 5 EFBERM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000360898365 476464413 /nfs/dbraw/zinc/46/44/13/476464413.db2.gz CJYCZULGVFFJCP-UHFFFAOYSA-N -1 0 334.353 2.721 10 5 EFBERM Cn1ccnc1-c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000377661746 476504999 /nfs/dbraw/zinc/50/49/99/476504999.db2.gz IZPACBFDOYWQTO-UHFFFAOYSA-N -1 0 338.323 2.953 10 5 EFBERM O=C(Nc1cccc(-c2nnco2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352218303 476560115 /nfs/dbraw/zinc/56/01/15/476560115.db2.gz MHMBLHBIRXNYEW-UHFFFAOYSA-N -1 0 326.268 2.603 10 5 EFBERM O=C(NCCc1c[nH]c2ccccc12)c1cccc([O-])c1[N+](=O)[O-] ZINC000354290611 476564669 /nfs/dbraw/zinc/56/46/69/476564669.db2.gz WOIFRGKBAPPJPT-UHFFFAOYSA-N -1 0 325.324 2.754 10 5 EFBERM CN(CCN(C)c1ccccc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352247425 476583760 /nfs/dbraw/zinc/58/37/60/476583760.db2.gz YKVFFCUWEFKOIB-UHFFFAOYSA-N -1 0 329.356 2.509 10 5 EFBERM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443419035 476714870 /nfs/dbraw/zinc/71/48/70/476714870.db2.gz UIFMIDOJGNFOOV-UHFFFAOYSA-N -1 0 327.387 2.976 10 5 EFBERM CC(C)[C@H]1N(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000413977710 476818144 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0 336.388 2.995 10 5 EFBERM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000436673798 477554235 /nfs/dbraw/zinc/55/42/35/477554235.db2.gz MLZABDNQUGRQRK-VIFPVBQESA-N -1 0 334.303 2.939 10 5 EFBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000367537359 477563082 /nfs/dbraw/zinc/56/30/82/477563082.db2.gz FDAZMGJNTSFWRP-MRXNPFEDSA-N -1 0 334.372 2.722 10 5 EFBERM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2c(c1)OCO2 ZINC000436860938 477617355 /nfs/dbraw/zinc/61/73/55/477617355.db2.gz RFSHSZALAOLNSV-VIFPVBQESA-N -1 0 330.296 2.520 10 5 EFBERM COc1cc2c(cc1F)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000436979515 477656083 /nfs/dbraw/zinc/65/60/83/477656083.db2.gz MGNLNNBCAKWMMD-UHFFFAOYSA-N -1 0 346.314 2.647 10 5 EFBERM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436989083 477658186 /nfs/dbraw/zinc/65/81/86/477658186.db2.gz LPOSALWZVIIDHC-SJLPKXTDSA-N -1 0 342.351 2.769 10 5 EFBERM CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436992883 477660008 /nfs/dbraw/zinc/66/00/08/477660008.db2.gz XIHVUKXUFCNMJC-UHFFFAOYSA-N -1 0 329.312 2.535 10 5 EFBERM CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436994687 477660747 /nfs/dbraw/zinc/66/07/47/477660747.db2.gz FBJOYAKYMQXQLV-UHFFFAOYSA-N -1 0 330.340 2.672 10 5 EFBERM C[C@@H](C(=O)N=c1nc(C2(C)CC2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000600228247 478298810 /nfs/dbraw/zinc/29/88/10/478298810.db2.gz TYELTFOGUCWIAV-SECBINFHSA-N -1 0 332.385 2.662 10 5 EFBERM O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600299528 478327626 /nfs/dbraw/zinc/32/76/26/478327626.db2.gz VEBJVDHNEIQFOW-HNNXBMFYSA-N -1 0 327.340 2.967 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(Cc2ccco2)C1 ZINC000600370051 478356934 /nfs/dbraw/zinc/35/69/34/478356934.db2.gz IVAMJSVRQQIDJU-UHFFFAOYSA-N -1 0 336.731 2.862 10 5 EFBERM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000594413484 478371083 /nfs/dbraw/zinc/37/10/83/478371083.db2.gz ZNEWEISPTWPEMC-CABZTGNLSA-N -1 0 348.277 2.530 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594413620 478372618 /nfs/dbraw/zinc/37/26/18/478372618.db2.gz DQTCFUCYURHDPS-GFCCVEGCSA-N -1 0 334.372 2.864 10 5 EFBERM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC2(CCCCC2)O1 ZINC000594417805 478373767 /nfs/dbraw/zinc/37/37/67/478373767.db2.gz XYVKCLZJKILHPE-LBPRGKRZSA-N -1 0 334.372 2.864 10 5 EFBERM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000597491567 478376748 /nfs/dbraw/zinc/37/67/48/478376748.db2.gz NWLCAJKFWGABOU-ZDUSSCGKSA-N -1 0 336.344 2.607 10 5 EFBERM O=C(NC1CCC(OC(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000590883954 478382905 /nfs/dbraw/zinc/38/29/05/478382905.db2.gz LGGURQYSVWNJKT-UHFFFAOYSA-N -1 0 330.287 2.581 10 5 EFBERM Cc1sc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-] ZINC000594462725 478398338 /nfs/dbraw/zinc/39/83/38/478398338.db2.gz PHUSGJXWPQQOOS-UJNFCWOMSA-N -1 0 340.401 2.830 10 5 EFBERM CC(C)(CO)[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000597584811 478422090 /nfs/dbraw/zinc/42/20/90/478422090.db2.gz XXLCHOQTYHHTEW-MRXNPFEDSA-N -1 0 344.367 2.790 10 5 EFBERM CCO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1CC)C1CC1 ZINC000600653302 478455883 /nfs/dbraw/zinc/45/58/83/478455883.db2.gz GCJXUAWAXJRYKQ-HNNXBMFYSA-N -1 0 342.417 2.714 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)n1 ZINC000594736935 478522336 /nfs/dbraw/zinc/52/23/36/478522336.db2.gz TZCDCOHKHGSNAJ-ZJUUUORDSA-N -1 0 347.293 2.696 10 5 EFBERM CCC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594746067 478527409 /nfs/dbraw/zinc/52/74/09/478527409.db2.gz XQDMJTRGBFPFGO-CYBMUJFWSA-N -1 0 335.385 2.810 10 5 EFBERM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772895 478536541 /nfs/dbraw/zinc/53/65/41/478536541.db2.gz ZJIYVHHJJVDXLL-LLVKDONJSA-N -1 0 327.406 2.627 10 5 EFBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000594776250 478538547 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O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Cc2nccs2)CC1 ZINC000601742400 478980354 /nfs/dbraw/zinc/98/03/54/478980354.db2.gz ASBNYWNFZHTGIB-UHFFFAOYSA-N -1 0 347.396 2.852 10 5 EFBERM CC(C)[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592785952 479043278 /nfs/dbraw/zinc/04/32/78/479043278.db2.gz YENVIDZZAQUZJA-CYBMUJFWSA-N -1 0 338.360 2.853 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC[C@H]1CCO ZINC000592798122 479048438 /nfs/dbraw/zinc/04/84/38/479048438.db2.gz QEGJRLYFTKXGNV-NSHDSACASA-N -1 0 342.779 2.721 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000592797596 479048870 /nfs/dbraw/zinc/04/88/70/479048870.db2.gz FHKWWBVHGNMOIQ-OAHLLOKOSA-N -1 0 340.763 2.597 10 5 EFBERM CCCc1nc(=NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s[n-]1 ZINC000546672323 479054802 /nfs/dbraw/zinc/05/48/02/479054802.db2.gz DOJFMPDUDHNQLS-UHFFFAOYSA-N -1 0 334.401 2.998 10 5 EFBERM CC(C)NC(=O)c1ccc(NC[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000595978571 479087285 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479275906 /nfs/dbraw/zinc/27/59/06/479275906.db2.gz HJOACBIJFZQIPG-UHFFFAOYSA-N -1 0 335.385 2.970 10 5 EFBERM CCc1ccncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000593284337 479276041 /nfs/dbraw/zinc/27/60/41/479276041.db2.gz JUFBNUDINAXJJH-UHFFFAOYSA-N -1 0 335.385 2.970 10 5 EFBERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000599521264 479320640 /nfs/dbraw/zinc/32/06/40/479320640.db2.gz UOKPKTAMPVQIGT-JTQLQIEISA-N -1 0 328.365 2.593 10 5 EFBERM CCc1nc([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000611263235 479329230 /nfs/dbraw/zinc/32/92/30/479329230.db2.gz FZODGJRYQCAXAL-AWEZNQCLSA-N -1 0 332.360 2.973 10 5 EFBERM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC000586754645 479344139 /nfs/dbraw/zinc/34/41/39/479344139.db2.gz BUOOIPKXUVYANK-UHFFFAOYSA-N -1 0 349.324 2.545 10 5 EFBERM CCN1CCc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc21 ZINC000586772881 479349412 /nfs/dbraw/zinc/34/94/12/479349412.db2.gz SDUHTBPXZXIHDQ-UHFFFAOYSA-N -1 0 327.340 2.935 10 5 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CCCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000786266440 1275359533 /nfs/dbraw/zinc/35/95/33/1275359533.db2.gz CHFLWRXZZZZCSF-UHFFFAOYSA-N -1 0 342.417 2.757 10 5 EFBERM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000786879128 1275564098 /nfs/dbraw/zinc/56/40/98/1275564098.db2.gz DEQKHXVDBOBAAA-UHFFFAOYSA-N -1 0 333.778 2.814 10 5 EFBERM CCC1(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000789475210 1276725455 /nfs/dbraw/zinc/72/54/55/1276725455.db2.gz HVSHIPYVRXQVPN-UHFFFAOYSA-N -1 0 340.401 2.679 10 5 EFBERM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789482166 1276746744 /nfs/dbraw/zinc/74/67/44/1276746744.db2.gz BHRADQJDBFNKNG-KTKRTIGZSA-N -1 0 340.401 2.701 10 5 EFBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@H]1CC[C@H](C)C1 ZINC000789481471 1276746911 /nfs/dbraw/zinc/74/69/11/1276746911.db2.gz UXLVCDSSLXWCKM-JQWIXIFHSA-N -1 0 340.401 2.534 10 5 EFBERM C/C(=C\C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000789485470 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ZWJUFZLCFMTLGP-PBHICJAKSA-N -1 0 327.340 2.977 10 5 EFBERM O=C([O-])c1cnc(N2CC[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000871868501 1287331785 /nfs/dbraw/zinc/33/17/85/1287331785.db2.gz XBDFMCKOPJDQPG-SFHVURJKSA-N -1 0 339.351 2.782 10 5 EFBERM O=C([O-])[C@]12CCC[C@H]1N(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC000871868746 1287331828 /nfs/dbraw/zinc/33/18/28/1287331828.db2.gz JKHHBKAMLIFADA-PBHICJAKSA-N -1 0 327.340 2.977 10 5 EFBERM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000747105811 1279434809 /nfs/dbraw/zinc/43/48/09/1279434809.db2.gz YXAZYBADUYCTBS-UHFFFAOYSA-N -1 0 348.380 2.584 10 5 EFBERM COc1ccccc1CN(OC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000794140171 1280042735 /nfs/dbraw/zinc/04/27/35/1280042735.db2.gz GEUCEGKUEQKXBG-UHFFFAOYSA-N -1 0 332.312 2.513 10 5 EFBERM CO[C@H](C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000872007350 1287395197 /nfs/dbraw/zinc/39/51/97/1287395197.db2.gz PDTQGGNVKUGMSW-SNVBAGLBSA-N -1 0 330.406 2.669 10 5 EFBERM 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329.312 2.546 10 5 EFBERM O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc(F)c(F)c1[O-] ZINC001161073898 1311852694 /nfs/dbraw/zinc/85/26/94/1311852694.db2.gz QVGFGEDPCGCTMI-UHFFFAOYSA-N -1 0 326.230 2.899 10 5 EFBERM C[S@](=N)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001161511684 1311904537 /nfs/dbraw/zinc/90/45/37/1311904537.db2.gz KACJCBJTWJFAPX-QHCPKHFHSA-N -1 0 335.341 2.588 10 5 EFBERM Cc1cc(C)c2c(c1)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCO2 ZINC001164516283 1312530738 /nfs/dbraw/zinc/53/07/38/1312530738.db2.gz POUBNKVBDBEQAW-UHFFFAOYSA-N -1 0 328.324 2.956 10 5 EFBERM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001261630143 1316422198 /nfs/dbraw/zinc/42/21/98/1316422198.db2.gz CHNRGSZPWYALDN-HNNXBMFYSA-N -1 0 338.385 2.536 10 5 EFBERM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c([O-])c1 ZINC001290274848 1321893886 /nfs/dbraw/zinc/89/38/86/1321893886.db2.gz HROACMOLXOPAQA-UHFFFAOYSA-N -1 0 335.747 2.796 10 5 EFBERM 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ZINC000021028334 212202502 /nfs/dbraw/zinc/20/25/02/212202502.db2.gz XNTJSOYBTBMETM-SNVBAGLBSA-N -1 0 332.312 2.715 10 5 EFBERM Cc1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(C)cc1[N+](=O)[O-] ZINC000414381341 244119998 /nfs/dbraw/zinc/11/99/98/244119998.db2.gz LMXFIMNAEMVQGX-UHFFFAOYSA-N -1 0 346.315 2.604 10 5 EFBERM C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1C(=O)[O-] ZINC000262906147 245242783 /nfs/dbraw/zinc/24/27/83/245242783.db2.gz IJRVHJUIRLEIKQ-BXKDBHETSA-N -1 0 348.380 2.992 10 5 EFBERM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000421800358 296208285 /nfs/dbraw/zinc/20/82/85/296208285.db2.gz CMXDRTMSKPIPBK-ZJUUUORDSA-N -1 0 338.360 2.709 10 5 EFBERM C[C@H](O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000421800356 246121763 /nfs/dbraw/zinc/12/17/63/246121763.db2.gz CMXDRTMSKPIPBK-UWVGGRQHSA-N -1 0 338.360 2.709 10 5 EFBERM CN(C)c1ccccc1CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000425965295 247219052 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2.779 10 5 EFBERM O=C(NCc1ccccc1OC(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346019825 142134018 /nfs/dbraw/zinc/13/40/18/142134018.db2.gz QIDNYYDEEYEHMY-UHFFFAOYSA-N -1 0 338.266 2.832 10 5 EFBERM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000346178247 142161982 /nfs/dbraw/zinc/16/19/82/142161982.db2.gz FFCDOOHCCPZLLQ-SNVBAGLBSA-N -1 0 343.339 2.750 10 5 EFBERM O=C(NCc1coc(-c2cccs2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349446869 142330285 /nfs/dbraw/zinc/33/02/85/142330285.db2.gz IPOICQZZZJGXSF-UHFFFAOYSA-N -1 0 345.336 2.947 10 5 EFBERM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000350063671 142395584 /nfs/dbraw/zinc/39/55/84/142395584.db2.gz GAXRFMVVVKEZDJ-UHFFFAOYSA-N -1 0 345.336 2.597 10 5 EFBERM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000342465750 145132115 /nfs/dbraw/zinc/13/21/15/145132115.db2.gz OKBPAIWANWLFEO-UHFFFAOYSA-N -1 0 347.274 2.809 10 5 EFBERM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000342797163 145195682 /nfs/dbraw/zinc/19/56/82/145195682.db2.gz DZTBPJJSQRRKDQ-UHFFFAOYSA-N -1 0 325.371 2.730 10 5 EFBERM Cc1nc2sccn2c1CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343737098 145282631 /nfs/dbraw/zinc/28/26/31/145282631.db2.gz IDCZJRAHUWDLJW-UHFFFAOYSA-N -1 0 346.368 2.590 10 5 EFBERM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343797984 145297595 /nfs/dbraw/zinc/29/75/95/145297595.db2.gz XIWXSSQOBMSLKN-NSHDSACASA-N -1 0 328.324 2.692 10 5 EFBERM CCC1(CC)[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000343853433 145308918 /nfs/dbraw/zinc/30/89/18/145308918.db2.gz ONSXTDNTJJCVMT-VCTAVGKDSA-N -1 0 336.388 2.870 10 5 EFBERM O=C(NCCOc1ccc(Cl)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351504574 146133139 /nfs/dbraw/zinc/13/31/39/146133139.db2.gz BGTLORHNEOKNOU-UHFFFAOYSA-N -1 0 336.731 2.763 10 5 EFBERM O=C(NCCc1ccc2ccccc2n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351589810 146153336 /nfs/dbraw/zinc/15/33/36/146153336.db2.gz OWLDHBMAYMQZLT-UHFFFAOYSA-N -1 0 337.335 2.821 10 5 EFBERM C[C@@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000351750450 146194533 /nfs/dbraw/zinc/19/45/33/146194533.db2.gz WWTFDNCHIJPWEC-ZCFIWIBFSA-N -1 0 346.240 2.640 10 5 EFBERM O=C(NCCc1nc2c(s1)CCCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351833286 146214167 /nfs/dbraw/zinc/21/41/67/146214167.db2.gz UTXURYPWEUUBDM-UHFFFAOYSA-N -1 0 347.396 2.608 10 5 EFBERM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353099240 146396315 /nfs/dbraw/zinc/39/63/15/146396315.db2.gz RKTLGWUERUNPLT-UHFFFAOYSA-N -1 0 343.314 2.893 10 5 EFBERM CN(CCCOCc1ccccc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355690578 147036140 /nfs/dbraw/zinc/03/61/40/147036140.db2.gz CIDYZZTVFLAPJK-UHFFFAOYSA-N -1 0 344.367 2.979 10 5 EFBERM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000356640300 147298081 /nfs/dbraw/zinc/29/80/81/147298081.db2.gz ZSYWLLCIYQPSHI-CQSZACIVSA-N -1 0 332.360 2.532 10 5 EFBERM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356686775 147309314 /nfs/dbraw/zinc/30/93/14/147309314.db2.gz DGCSKJNCMLYURP-OAHLLOKOSA-N -1 0 328.324 2.862 10 5 EFBERM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798375 147338217 /nfs/dbraw/zinc/33/82/17/147338217.db2.gz XSCBSZBUWSMLLS-CXAGYDPISA-N -1 0 342.351 2.808 10 5 EFBERM Cc1nc2ccccc2n1CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000357653761 147585277 /nfs/dbraw/zinc/58/52/77/147585277.db2.gz KCNRXBIMCAUUKI-UHFFFAOYSA-N -1 0 340.339 2.987 10 5 EFBERM CCOc1ccc([N+](=O)[O-])cc1CN=c1ccc(OC(C)C)n[n-]1 ZINC000357707992 147599669 /nfs/dbraw/zinc/59/96/69/147599669.db2.gz KVNCDEPBSOITCB-UHFFFAOYSA-N -1 0 332.360 2.605 10 5 EFBERM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000359163408 148012282 /nfs/dbraw/zinc/01/22/82/148012282.db2.gz FRACDIHKMWAKEG-UHFFFAOYSA-N -1 0 334.641 2.664 10 5 EFBERM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364378459 149139259 /nfs/dbraw/zinc/13/92/59/149139259.db2.gz KSGHCTOIUQTZTH-APPDUMDISA-N -1 0 342.351 2.765 10 5 EFBERM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364378462 149139264 /nfs/dbraw/zinc/13/92/64/149139264.db2.gz KSGHCTOIUQTZTH-PIGZYNQJSA-N -1 0 342.351 2.765 10 5 EFBERM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C12CCCC2 ZINC000370220542 286485690 /nfs/dbraw/zinc/48/56/90/286485690.db2.gz FGOSGPWZCFAMMS-CABCVRRESA-N -1 0 334.372 2.768 10 5 EFBERM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339009774 287181099 /nfs/dbraw/zinc/18/10/99/287181099.db2.gz JHGHLTVLESNPIM-CABCVRRESA-N -1 0 335.404 2.522 10 5 EFBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccs2)C1 ZINC000272667224 266345161 /nfs/dbraw/zinc/34/51/61/266345161.db2.gz JHLKHDLRXSZUNY-ZDUSSCGKSA-N -1 0 334.353 2.576 10 5 EFBERM CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000161625223 273022268 /nfs/dbraw/zinc/02/22/68/273022268.db2.gz NSZHUKCVAOXYSF-UHFFFAOYSA-N -1 0 330.340 2.672 10 5 EFBERM C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000280772146 273365157 /nfs/dbraw/zinc/36/51/57/273365157.db2.gz MQOIRPMIAFYHTI-WBMJQRKESA-N -1 0 342.351 2.903 10 5 EFBERM C[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000280772140 273365161 /nfs/dbraw/zinc/36/51/61/273365161.db2.gz MQOIRPMIAFYHTI-BLLLJJGKSA-N -1 0 342.351 2.903 10 5 EFBERM CN(CC(=O)Nc1cccc(F)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338905815 276824175 /nfs/dbraw/zinc/82/41/75/276824175.db2.gz NONFTGUZWJTCGE-UHFFFAOYSA-N -1 0 333.319 2.510 10 5 EFBERM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000345634981 288055788 /nfs/dbraw/zinc/05/57/88/288055788.db2.gz UHUPTJRUJWBNIH-QMMMGPOBSA-N -1 0 346.714 2.867 10 5 EFBERM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC12CCOCC2 ZINC000413969620 280061632 /nfs/dbraw/zinc/06/16/32/280061632.db2.gz FFYIUTJQWSXFDV-HNNXBMFYSA-N -1 0 334.372 2.578 10 5 EFBERM CCCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000127324129 293065413 /nfs/dbraw/zinc/06/54/13/293065413.db2.gz LEUUXTGQXCHRMA-UHFFFAOYSA-N -1 0 333.416 2.866 10 5 EFBERM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000131395610 293195578 /nfs/dbraw/zinc/19/55/78/293195578.db2.gz KAZWJDIZUNQWAP-UHFFFAOYSA-N -1 0 326.305 2.549 10 5 EFBERM CC(=O)N(C)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152432974 293333757 /nfs/dbraw/zinc/33/37/57/293333757.db2.gz VGISCPYUOFNHJP-UHFFFAOYSA-N -1 0 329.312 2.535 10 5 EFBERM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354559201 294480475 /nfs/dbraw/zinc/48/04/75/294480475.db2.gz DGURYFJMKQVXFD-QFYYESIMSA-N -1 0 348.330 2.946 10 5 EFBERM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC000189245681 301558584 /nfs/dbraw/zinc/55/85/84/301558584.db2.gz GCAGINGXFMDDFM-UHFFFAOYSA-N -1 0 348.380 2.947 10 5 EFBERM Cc1cccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000237606565 301955728 /nfs/dbraw/zinc/95/57/28/301955728.db2.gz MZPBHHLFDBVADF-AWEZNQCLSA-N -1 0 342.351 2.577 10 5 EFBERM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000191454769 302062014 /nfs/dbraw/zinc/06/20/14/302062014.db2.gz CBFOIYYLBNYAGB-CYBMUJFWSA-N -1 0 328.324 2.862 10 5 EFBERM O=C(Nc1ncc(C2CCOCC2)s1)c1cccc([O-])c1[N+](=O)[O-] ZINC000296974499 310837437 /nfs/dbraw/zinc/83/74/37/310837437.db2.gz QCLVCGWSUUCDJO-UHFFFAOYSA-N -1 0 349.368 2.903 10 5 EFBERM COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1 ZINC000439084323 312632271 /nfs/dbraw/zinc/63/22/71/312632271.db2.gz GQBBDJKOIWFWSR-CYBMUJFWSA-N -1 0 334.303 2.557 10 5 EFBERM O=c1[n-]c([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000450984945 312790967 /nfs/dbraw/zinc/79/09/67/312790967.db2.gz HGEPYZZQINUJBH-GFCCVEGCSA-N -1 0 337.767 2.799 10 5 EFBERM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000532393423 317395283 /nfs/dbraw/zinc/39/52/83/317395283.db2.gz YSRLOHOUAPHKSM-UHFFFAOYSA-N -1 0 347.400 2.638 10 5 EFBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnn(-c2ccccc2F)c1 ZINC000548518851 318117130 /nfs/dbraw/zinc/11/71/30/318117130.db2.gz YZENTZOVTJKCEG-UHFFFAOYSA-N -1 0 342.286 2.878 10 5 EFBERM Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000565041730 318926560 /nfs/dbraw/zinc/92/65/60/318926560.db2.gz ULQSRYWJIFWQKA-CQSZACIVSA-N -1 0 329.356 2.962 10 5 EFBERM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566238608 319051159 /nfs/dbraw/zinc/05/11/59/319051159.db2.gz FMEYKXITBPDMOT-SKDRFNHKSA-N -1 0 335.360 2.786 10 5 EFBERM O=C([O-])C1CCC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000566287983 319057751 /nfs/dbraw/zinc/05/77/51/319057751.db2.gz WOTCOSNICRRZKS-UHFFFAOYSA-N -1 0 346.383 2.761 10 5 EFBERM C[C@]1(c2ccc(F)cc2)CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000566290387 319058081 /nfs/dbraw/zinc/05/80/81/319058081.db2.gz GGSSFIATUFSOAW-KRWDZBQOSA-N -1 0 345.330 2.995 10 5 EFBERM Cc1ccnc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c1[N+](=O)[O-] ZINC000566296703 319059285 /nfs/dbraw/zinc/05/92/85/319059285.db2.gz 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/nfs/dbraw/zinc/55/48/06/1394554806.db2.gz BJEFNHSAXPVOML-VIFPVBQESA-N -1 0 327.296 2.933 10 5 EFBERM CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC001455180797 1394573123 /nfs/dbraw/zinc/57/31/23/1394573123.db2.gz WZLPUGARDQDDJL-SKDRFNHKSA-N -1 0 342.779 2.889 10 5 EFBERM C[S@@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(F)c1 ZINC001457091010 1394965828 /nfs/dbraw/zinc/96/58/28/1394965828.db2.gz JGBMNGRHWRVNLO-QHCPKHFHSA-N -1 0 338.316 2.737 10 5 EFBERM O=c1[n-]c(CCCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC001458212847 1395425436 /nfs/dbraw/zinc/42/54/36/1395425436.db2.gz UEGWOMJROIIZEG-UHFFFAOYSA-N -1 0 332.147 2.770 10 5 EFBERM Cc1cnccc1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466146701 1396740962 /nfs/dbraw/zinc/74/09/62/1396740962.db2.gz SQSYXXSAPSCWSC-UHFFFAOYSA-N -1 0 335.747 2.630 10 5 EFBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(CC2CCCC2)c1 ZINC001466628248 1396766511 /nfs/dbraw/zinc/76/65/11/1396766511.db2.gz AEGCGXDRBGSOQG-UHFFFAOYSA-N -1 0 330.344 2.939 10 5 EFBERM COc1ccccc1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001467636465 1396878569 /nfs/dbraw/zinc/87/85/69/1396878569.db2.gz SPQIMRVAAVTBDT-NSHDSACASA-N -1 0 330.340 2.670 10 5 EFBERM O=C(NCc1cccc(C(F)(F)F)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001468209740 1396933959 /nfs/dbraw/zinc/93/39/59/1396933959.db2.gz ZTLXWTHEFPYZJE-UHFFFAOYSA-N -1 0 341.245 2.644 10 5 EFBERM Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2[O-])ccc1[N+](=O)[O-] ZINC001468788020 1396984681 /nfs/dbraw/zinc/98/46/81/1396984681.db2.gz BVBSNFXZSJUYBF-UHFFFAOYSA-N -1 0 338.266 2.905 10 5 EFBERM Cc1ccncc1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001469934369 1397060321 /nfs/dbraw/zinc/06/03/21/1397060321.db2.gz VBNRDXBYIFNUCU-UHFFFAOYSA-N -1 0 335.747 2.630 10 5 EFBERM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)OCCc2ccccc21 ZINC001471553997 1397184264 /nfs/dbraw/zinc/18/42/64/1397184264.db2.gz UJICAEHELLRFTQ-GOSISDBHSA-N -1 0 342.351 2.518 10 5 EFBERM COc1ccc(O)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001546334382 1413460726 /nfs/dbraw/zinc/46/07/26/1413460726.db2.gz JQGDVSDPXCBOTB-UHFFFAOYSA-N -1 0 338.703 2.920 10 5 EFBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccn(CCC(F)(F)F)n1 ZINC001556081005 1415051782 /nfs/dbraw/zinc/05/17/82/1415051782.db2.gz CXKRDBBAQYATAY-UHFFFAOYSA-N -1 0 344.249 2.702 10 5 EFBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@H](CO)c2ccccc21 ZINC001556719442 1415084404 /nfs/dbraw/zinc/08/44/04/1415084404.db2.gz HYAPUQARSGIMJC-SECBINFHSA-N -1 0 348.742 2.690 10 5 EFBERM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCc1ccccn1 ZINC001556952647 1415097884 /nfs/dbraw/zinc/09/78/84/1415097884.db2.gz WVJODCXYWDVMRQ-LLVKDONJSA-N -1 0 333.369 2.718 10 5 EFBERM CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001557275656 1415117493 /nfs/dbraw/zinc/11/74/93/1415117493.db2.gz PFPLPFSJLVFXSU-WCQYABFASA-N -1 0 342.779 2.719 10 5 EFBERM C[C@H]1c2ccccc2OCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001557573888 1415131874 /nfs/dbraw/zinc/13/18/74/1415131874.db2.gz YRYICRMREAYPET-NSHDSACASA-N -1 0 328.324 2.896 10 5 EFBERM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCOC2(CCC2)C1 ZINC001558416300 1415178725 /nfs/dbraw/zinc/17/87/25/1415178725.db2.gz KTIVGCDYIQFKLX-MRXNPFEDSA-N -1 0 334.372 2.770 10 5 EFBERM O=C(Nc1cncc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001558821579 1415204465 /nfs/dbraw/zinc/20/44/65/1415204465.db2.gz DCEZHZPURYALGU-UHFFFAOYSA-N -1 0 327.218 2.967 10 5 EFBERM O=C(NCc1cccc(N2CC=CC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001565870985 1415439972 /nfs/dbraw/zinc/43/99/72/1415439972.db2.gz RRSJHGVEZGVAJG-UHFFFAOYSA-N -1 0 339.351 2.607 10 5 EFBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(Cc2c(F)cccc2F)C1 ZINC001566157488 1415532584 /nfs/dbraw/zinc/53/25/84/1415532584.db2.gz NKBRHTVVDJKJRO-UHFFFAOYSA-N -1 0 348.305 2.893 10 5 EFBERM CCOc1cc(C)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001566388835 1415544714 /nfs/dbraw/zinc/54/47/14/1415544714.db2.gz XRXNQKXCFMIULJ-UHFFFAOYSA-N -1 0 330.340 2.938 10 5 EFBERM O=C(NC[C@]1(c2ccccc2)CCCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001646187215 1416627643 /nfs/dbraw/zinc/62/76/43/1416627643.db2.gz NOYFWSHHKGWPTG-SFHVURJKSA-N -1 0 342.351 2.736 10 5 EFBERM O=C([O-])C1(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000262441353 715211558 /nfs/dbraw/zinc/21/15/58/715211558.db2.gz CSSIKNIVLILEER-UHFFFAOYSA-N -1 0 334.372 2.679 10 5 EFBERM CC(C)c1nnc2n1CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]2C ZINC000339113648 722030637 /nfs/dbraw/zinc/03/06/37/722030637.db2.gz GWHIRERXZNQFLK-NSHDSACASA-N -1 0 331.376 2.592 10 5 EFBERM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000130111854 725579870 /nfs/dbraw/zinc/57/98/70/725579870.db2.gz IFRPKJZHCRQVLF-UHFFFAOYSA-N -1 0 348.380 2.837 10 5 EFBERM O=C([O-])/C=C/c1ccc(NC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000920957498 729246333 /nfs/dbraw/zinc/24/63/33/729246333.db2.gz IPHCOOBKPWGCDC-DYLHUKMJSA-N -1 0 328.324 2.838 10 5 EFBERM Cc1nc([C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])sc1C(=O)[O-] ZINC000237616118 729585988 /nfs/dbraw/zinc/58/59/88/729585988.db2.gz LRBJCMRKJBDGAD-VIFPVBQESA-N -1 0 349.368 2.857 10 5 EFBERM