smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c([O-])c12 ZINC000016682629 568937323 /nfs/dbraw/zinc/93/73/23/568937323.db2.gz QLVUYWXSVLLTJQ-WBVHZDCISA-N -1 3 442.815 2.546 40 5 IFBBHM CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c([O-])c12 ZINC000016682630 568937465 /nfs/dbraw/zinc/93/74/65/568937465.db2.gz QLVUYWXSVLLTJQ-RDJZCZTQSA-N -1 3 442.815 2.546 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000139115743 569138516 /nfs/dbraw/zinc/13/85/16/569138516.db2.gz IYRIBJQGEJMMKT-CHWSQXEVSA-N -1 3 440.460 2.512 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000139115875 569138579 /nfs/dbraw/zinc/13/85/79/569138579.db2.gz IYRIBJQGEJMMKT-QWHCGFSZSA-N -1 3 440.460 2.512 40 5 IFBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253566645 569284274 /nfs/dbraw/zinc/28/42/74/569284274.db2.gz JENKXOHFQZBZKO-TZMCWYRMSA-N -1 3 440.460 2.842 40 5 IFBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253566644 569284322 /nfs/dbraw/zinc/28/43/22/569284322.db2.gz JENKXOHFQZBZKO-OCCSQVGLSA-N -1 3 440.460 2.842 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000040390473 569501131 /nfs/dbraw/zinc/50/11/31/569501131.db2.gz CJOBDRHFBIITQY-HIFRSBDPSA-N -1 3 440.460 2.512 40 5 IFBBHM O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399726 569501164 /nfs/dbraw/zinc/50/11/64/569501164.db2.gz BXWJDFVZYPXCED-AWEZNQCLSA-N -1 3 438.375 2.625 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000040390574 569501173 /nfs/dbraw/zinc/50/11/73/569501173.db2.gz IYRIBJQGEJMMKT-STQMWFEESA-N -1 3 440.460 2.512 40 5 IFBBHM Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000071980637 557333683 /nfs/dbraw/zinc/33/36/83/557333683.db2.gz YCPAQARGPCXWQT-HXUWFJFHSA-N -1 3 439.468 2.821 40 5 IFBBHM Cc1ccc([N-]C(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000014269620 557428907 /nfs/dbraw/zinc/42/89/07/557428907.db2.gz QSJMENGNNYFLDD-UHFFFAOYSA-N -1 3 445.457 2.775 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000139111653 569138507 /nfs/dbraw/zinc/13/85/07/569138507.db2.gz PRLYQHUUWUJINA-UKRRQHHQSA-N -1 3 440.460 2.512 40 5 IFBBHM Cc1ccc([N-]C(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000019643227 569325027 /nfs/dbraw/zinc/32/50/27/569325027.db2.gz DXOZANGTEHLSLS-UHFFFAOYSA-N -1 3 445.457 2.775 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000040390509 569501159 /nfs/dbraw/zinc/50/11/59/569501159.db2.gz PRLYQHUUWUJINA-HIFRSBDPSA-N -1 3 440.460 2.512 40 5 IFBBHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071980578 557333591 /nfs/dbraw/zinc/33/35/91/557333591.db2.gz BHCYLYKRQYAGFW-IBGZPJMESA-N -1 3 425.441 2.513 40 5 IFBBHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)OC ZINC000006544837 568930921 /nfs/dbraw/zinc/93/09/21/568930921.db2.gz RJHDBUKBZGYCHB-UHFFFAOYSA-N -1 3 435.414 2.505 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 ZINC000040400489 569501584 /nfs/dbraw/zinc/50/15/84/569501584.db2.gz HVRUGPKJVTYOSP-OAHLLOKOSA-N -1 3 434.412 2.795 40 5 IFBBHM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000038828494 569469094 /nfs/dbraw/zinc/46/90/94/569469094.db2.gz VAFJVBLMCARFIL-JMSVASOKSA-N -1 3 440.460 2.510 40 5 IFBBHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1[N+](=O)[O-] ZINC000040399227 569501156 /nfs/dbraw/zinc/50/11/56/569501156.db2.gz GUCKOSCRJKMBHL-CQSZACIVSA-N -1 3 434.412 2.795 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 ZINC000040400488 569501557 /nfs/dbraw/zinc/50/15/57/569501557.db2.gz HVRUGPKJVTYOSP-HNNXBMFYSA-N -1 3 434.412 2.795 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 ZINC000040400484 569501621 /nfs/dbraw/zinc/50/16/21/569501621.db2.gz HLMPNDDBVHXHEF-HNNXBMFYSA-N -1 3 434.412 2.795 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 ZINC000040400480 569501633 /nfs/dbraw/zinc/50/16/33/569501633.db2.gz RJEAIQSHXUMIAS-ZDUSSCGKSA-N -1 3 434.412 2.795 40 5 IFBBHM CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c([O-])c12 ZINC000100942492 557203167 /nfs/dbraw/zinc/20/31/67/557203167.db2.gz QLVUYWXSVLLTJQ-NVXWUHKLSA-N -1 3 442.815 2.546 40 5 IFBBHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000071980581 557333552 /nfs/dbraw/zinc/33/35/52/557333552.db2.gz WGKSXUKKMXHEIF-LJQANCHMSA-N -1 3 425.441 2.513 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000139109297 569138510 /nfs/dbraw/zinc/13/85/10/569138510.db2.gz CJOBDRHFBIITQY-UKRRQHHQSA-N -1 3 440.460 2.512 40 5 IFBBHM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000059816848 569249762 /nfs/dbraw/zinc/24/97/62/569249762.db2.gz LCOBDVHVBIWIHU-TYNCELHUSA-N -1 3 440.460 2.510 40 5 IFBBHM CCOC(=O)c1[n-]c(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C ZINC000003100841 569440240 /nfs/dbraw/zinc/44/02/40/569440240.db2.gz FRBPFBZSOHGTKR-UHFFFAOYSA-N -1 3 449.372 2.850 40 5 IFBBHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000408611842 557421973 /nfs/dbraw/zinc/42/19/73/557421973.db2.gz WZIXLKOUECCILB-LLVKDONJSA-N -1 3 427.866 2.871 40 5 IFBBHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223761212 568877060 /nfs/dbraw/zinc/87/70/60/568877060.db2.gz BBFNLOJNEDXPQG-UHFFFAOYSA-N -1 3 439.247 2.886 40 5 IFBBHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1[N+](=O)[O-] ZINC000253572495 569284281 /nfs/dbraw/zinc/28/42/81/569284281.db2.gz QGFBQMYDZCAACH-OCCSQVGLSA-N -1 3 440.460 2.842 40 5 IFBBHM C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000038828430 569469111 /nfs/dbraw/zinc/46/91/11/569469111.db2.gz LCOBDVHVBIWIHU-HUBLWGQQSA-N -1 3 440.460 2.510 40 5 IFBBHM O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399730 569501143 /nfs/dbraw/zinc/50/11/43/569501143.db2.gz LIUCDDYBCBCMGW-AWEZNQCLSA-N -1 3 438.375 2.625 40 5 IFBBHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000408611843 557421923 /nfs/dbraw/zinc/42/19/23/557421923.db2.gz WZIXLKOUECCILB-NSHDSACASA-N -1 3 427.866 2.871 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000040390475 569501119 /nfs/dbraw/zinc/50/11/19/569501119.db2.gz CJOBDRHFBIITQY-ZFWWWQNUSA-N -1 3 440.460 2.512 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000040390511 569501147 /nfs/dbraw/zinc/50/11/47/569501147.db2.gz PRLYQHUUWUJINA-ZFWWWQNUSA-N -1 3 440.460 2.512 40 5 IFBBHM O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399724 569501175 /nfs/dbraw/zinc/50/11/75/569501175.db2.gz BXWJDFVZYPXCED-CQSZACIVSA-N -1 3 438.375 2.625 40 5 IFBBHM CCOc1c([O-])ccc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-] ZINC000261362828 568733033 /nfs/dbraw/zinc/73/30/33/568733033.db2.gz MPBIAYHLZUSVPN-KRWDZBQOSA-O -1 3 428.450 2.844 40 5 IFBBHM CCOc1c([O-])ccc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-] ZINC000261362829 568733050 /nfs/dbraw/zinc/73/30/50/568733050.db2.gz MPBIAYHLZUSVPN-QGZVFWFLSA-O -1 3 428.450 2.844 40 5 IFBBHM COc1ccc(C([O-])=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915360 569292351 /nfs/dbraw/zinc/29/23/51/569292351.db2.gz KBQZNKGWZLRXRM-IIDMSEBBSA-N -1 3 439.346 2.707 40 5 IFBBHM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000038828428 569469135 /nfs/dbraw/zinc/46/91/35/569469135.db2.gz LCOBDVHVBIWIHU-ZOWXZIJZSA-N -1 3 440.460 2.510 40 5 IFBBHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000020451938 527388212 /nfs/dbraw/zinc/38/82/12/527388212.db2.gz OZSVAYHWVVYMKV-UHFFFAOYSA-N -1 3 448.482 2.733 40 5 IFBBHM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000038828490 569469089 /nfs/dbraw/zinc/46/90/89/569469089.db2.gz VAFJVBLMCARFIL-ZOWXZIJZSA-N -1 3 440.460 2.510 40 5 IFBBHM COc1ccc(C([O-])=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001464500 568819678 /nfs/dbraw/zinc/81/96/78/568819678.db2.gz KBQZNKGWZLRXRM-RVKKMQEKSA-N -1 3 439.346 2.707 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000139109399 569138534 /nfs/dbraw/zinc/13/85/34/569138534.db2.gz CJOBDRHFBIITQY-DZGCQCFKSA-N -1 3 440.460 2.512 40 5 IFBBHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017100808 569173389 /nfs/dbraw/zinc/17/33/89/569173389.db2.gz VJNWJIDRACRWIP-UHFFFAOYSA-N -1 3 436.877 2.917 40 5 IFBBHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1[N+](=O)[O-] ZINC000253572496 569284265 /nfs/dbraw/zinc/28/42/65/569284265.db2.gz QGFBQMYDZCAACH-TZMCWYRMSA-N -1 3 440.460 2.842 40 5 IFBBHM COc1ccc(C([O-])=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013563161 556697413 /nfs/dbraw/zinc/69/74/13/556697413.db2.gz KBQZNKGWZLRXRM-RKVPGOIHSA-N -1 3 439.346 2.707 40 5 IFBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399220 569501126 /nfs/dbraw/zinc/50/11/26/569501126.db2.gz FUAQWZZJVXHZGH-AWEZNQCLSA-N -1 3 434.412 2.795 40 5 IFBBHM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000059816942 569249754 /nfs/dbraw/zinc/24/97/54/569249754.db2.gz VAFJVBLMCARFIL-TYNCELHUSA-N -1 3 440.460 2.510 40 5 IFBBHM Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253565085 569284173 /nfs/dbraw/zinc/28/41/73/569284173.db2.gz HHCKIJBCQHWYSX-OCCSQVGLSA-N -1 3 440.460 2.842 40 5 IFBBHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000261361633 569315646 /nfs/dbraw/zinc/31/56/46/569315646.db2.gz AHGZILGXRIYPSB-QGZVFWFLSA-O -1 3 428.450 2.844 40 5 IFBBHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000040390572 569501123 /nfs/dbraw/zinc/50/11/23/569501123.db2.gz IYRIBJQGEJMMKT-OLZOCXBDSA-N -1 3 440.460 2.512 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 ZINC000040400482 569501575 /nfs/dbraw/zinc/50/15/75/569501575.db2.gz RJEAIQSHXUMIAS-CYBMUJFWSA-N -1 3 434.412 2.795 40 5 IFBBHM COc1ccc(C([O-])=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013563166 556697442 /nfs/dbraw/zinc/69/74/42/556697442.db2.gz KBQZNKGWZLRXRM-VKJFTORMSA-N -1 3 439.346 2.707 40 5 IFBBHM Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253565086 569284288 /nfs/dbraw/zinc/28/42/88/569284288.db2.gz HHCKIJBCQHWYSX-TZMCWYRMSA-N -1 3 440.460 2.842 40 5 IFBBHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000261361630 569315668 /nfs/dbraw/zinc/31/56/68/569315668.db2.gz AHGZILGXRIYPSB-KRWDZBQOSA-O -1 3 428.450 2.844 40 5 IFBBHM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000038828432 569469162 /nfs/dbraw/zinc/46/91/62/569469162.db2.gz LCOBDVHVBIWIHU-JMSVASOKSA-N -1 3 440.460 2.510 40 5 IFBBHM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000071980636 557333565 /nfs/dbraw/zinc/33/35/65/557333565.db2.gz YCPAQARGPCXWQT-FQEVSTJZSA-N -1 3 439.468 2.821 40 5 IFBBHM C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000038828492 569469157 /nfs/dbraw/zinc/46/91/57/569469157.db2.gz VAFJVBLMCARFIL-HUBLWGQQSA-N -1 3 440.460 2.510 40 5 IFBBHM O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399728 569501187 /nfs/dbraw/zinc/50/11/87/569501187.db2.gz LIUCDDYBCBCMGW-CQSZACIVSA-N -1 3 438.375 2.625 40 5 IFBBHM CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c([O-])c12 ZINC000100942496 557203082 /nfs/dbraw/zinc/20/30/82/557203082.db2.gz QLVUYWXSVLLTJQ-DOTOQJQBSA-N -1 3 442.815 2.546 40 5 IFBBHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071980579 557333526 /nfs/dbraw/zinc/33/35/26/557333526.db2.gz BHCYLYKRQYAGFW-LJQANCHMSA-N -1 3 425.441 2.513 40 5 IFBBHM COc1ccc(S(=O)(=O)[N-]CC(=O)OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000016215655 568873006 /nfs/dbraw/zinc/87/30/06/568873006.db2.gz AWROYLYBIQQQNY-UHFFFAOYSA-N -1 3 449.268 2.932 40 5 IFBBHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000139111752 569138568 /nfs/dbraw/zinc/13/85/68/569138568.db2.gz PRLYQHUUWUJINA-DZGCQCFKSA-N -1 3 440.460 2.512 40 5 IFBBHM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000059816861 569249683 /nfs/dbraw/zinc/24/96/83/569249683.db2.gz LCOBDVHVBIWIHU-LALPHHSUSA-N -1 3 440.460 2.510 40 5 IFBBHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1[N+](=O)[O-] ZINC000040399228 569501182 /nfs/dbraw/zinc/50/11/82/569501182.db2.gz GUCKOSCRJKMBHL-AWEZNQCLSA-N -1 3 434.412 2.795 40 5 IFBBHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000071980580 557333697 /nfs/dbraw/zinc/33/36/97/557333697.db2.gz WGKSXUKKMXHEIF-IBGZPJMESA-N -1 3 425.441 2.513 40 5 IFBBHM COc1c([N+](=O)[O-])cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000103934063 557442770 /nfs/dbraw/zinc/44/27/70/557442770.db2.gz MGAUXUDXRNUQGN-UHFFFAOYSA-N -1 3 447.360 2.509 40 5 IFBBHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1N1C(=O)CCC1=O ZINC000223073482 568778850 /nfs/dbraw/zinc/77/88/50/568778850.db2.gz NQJQYZINEOLRKM-UHFFFAOYSA-N -1 3 439.833 2.711 40 5 IFBBHM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000059816949 569249757 /nfs/dbraw/zinc/24/97/57/569249757.db2.gz VAFJVBLMCARFIL-LALPHHSUSA-N -1 3 440.460 2.510 40 5 IFBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399219 569501136 /nfs/dbraw/zinc/50/11/36/569501136.db2.gz FUAQWZZJVXHZGH-CQSZACIVSA-N -1 3 434.412 2.795 40 5 IFBBHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 ZINC000040400486 569501581 /nfs/dbraw/zinc/50/15/81/569501581.db2.gz HLMPNDDBVHXHEF-OAHLLOKOSA-N -1 3 434.412 2.795 40 5 IFBBHM