smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001266577094 1081599592 /nfs/dbraw/zinc/59/95/92/1081599592.db2.gz WKUSMBUSDZRPBD-UHFFFAOYSA-N -1 1 355.272 4.040 20 5 FIBDMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1ccccc1[N+](=O)[O-] ZINC000065813456 1083538238 /nfs/dbraw/zinc/53/82/38/1083538238.db2.gz OXWFZBAOTBPFKN-UHFFFAOYSA-N -1 1 360.782 4.019 20 5 FIBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668624 1085761453 /nfs/dbraw/zinc/76/14/53/1085761453.db2.gz PHSRGOPNJBLHDU-SECBINFHSA-N -1 1 352.799 4.073 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1occc1COc1ccccc1 ZINC000066961075 1086559206 /nfs/dbraw/zinc/55/92/06/1086559206.db2.gz YHLIVASXGDZVCB-UHFFFAOYSA-N -1 1 374.299 4.297 20 5 FIBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000122694211 1089926945 /nfs/dbraw/zinc/92/69/45/1089926945.db2.gz NSWKVFALOLXCCJ-UHFFFAOYSA-N -1 1 357.753 4.464 20 5 FIBDMM Cc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cs2)o1 ZINC000123345418 1091148156 /nfs/dbraw/zinc/14/81/56/1091148156.db2.gz VJGATDRRLUDSDV-UHFFFAOYSA-N -1 1 365.317 4.150 20 5 FIBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000016722143 1096342871 /nfs/dbraw/zinc/34/28/71/1096342871.db2.gz HXVRVYUFVMYZBQ-UHFFFAOYSA-N -1 1 366.830 4.400 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000018228374 1102901829 /nfs/dbraw/zinc/90/18/29/1102901829.db2.gz KNHWVKYXOPEUJP-UHFFFAOYSA-N -1 1 366.468 4.153 20 5 FIBDMM CC(C)(C)CC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426740646 1102958014 /nfs/dbraw/zinc/95/80/14/1102958014.db2.gz BTIGWHVFVGZQLL-MRXNPFEDSA-N -1 1 360.410 4.224 20 5 FIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000597871286 1115689345 /nfs/dbraw/zinc/68/93/45/1115689345.db2.gz FAZASFTUGGVXDF-UHFFFAOYSA-N -1 1 368.846 4.249 20 5 FIBDMM CCOc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cc1 ZINC000604038783 1115842577 /nfs/dbraw/zinc/84/25/77/1115842577.db2.gz WVTZGSFEMMLUOD-UHFFFAOYSA-N -1 1 367.361 4.366 20 5 FIBDMM C[C@@H](Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)c1ccccc1 ZINC000609071774 1116269286 /nfs/dbraw/zinc/26/92/86/1116269286.db2.gz ACCGFFLLJQBFMR-CYBMUJFWSA-N -1 1 350.378 4.348 20 5 FIBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000030529763 1119017731 /nfs/dbraw/zinc/01/77/31/1119017731.db2.gz CYZYQEAKHRRQKO-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000154150637 1121826731 /nfs/dbraw/zinc/82/67/31/1121826731.db2.gz FYPFINUUHSCISZ-UHFFFAOYSA-N -1 1 355.272 4.040 20 5 FIBDMM CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F)C1CCCCC1 ZINC000918656308 1122737978 /nfs/dbraw/zinc/73/79/78/1122737978.db2.gz LCWOVADBQFBDPP-UHFFFAOYSA-N -1 1 360.389 4.083 20 5 FIBDMM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1 ZINC000499172473 1123305368 /nfs/dbraw/zinc/30/53/68/1123305368.db2.gz UWMFFTTUIMPBDC-BBRMVZONSA-N -1 1 357.410 4.271 20 5 FIBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000180174990 1124253378 /nfs/dbraw/zinc/25/33/78/1124253378.db2.gz PRZWNCLKJKRELX-UHFFFAOYSA-N -1 1 374.394 4.137 20 5 FIBDMM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001212478379 1125289052 /nfs/dbraw/zinc/28/90/52/1125289052.db2.gz WLOUUTVEGIHPCQ-MRVPVSSYSA-N -1 1 369.270 4.005 20 5 FIBDMM O=C(c1cc2ccccc2cc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000436593310 567946613 /nfs/dbraw/zinc/94/66/13/567946613.db2.gz DEOJJRVOJPVRHK-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175614136 1080790863 /nfs/dbraw/zinc/79/08/63/1080790863.db2.gz VKOSGKDRWLJBHL-UHFFFAOYSA-N -1 1 360.675 4.225 20 5 FIBDMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000613112002 1084357487 /nfs/dbraw/zinc/35/74/87/1084357487.db2.gz GWTFJWITBSDPHJ-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM CCOc1ccc(F)c([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000438944156 1092622407 /nfs/dbraw/zinc/62/24/07/1092622407.db2.gz CYLOUGDOFUVQRZ-UHFFFAOYSA-N -1 1 370.739 4.486 20 5 FIBDMM COc1ccc2nc(-c3nc4cc5ccccc5cc4c(=O)[n-]3)ccc2c1 ZINC000614116002 1092948129 /nfs/dbraw/zinc/94/81/29/1092948129.db2.gz WTIRRPSHJVMOHO-UHFFFAOYSA-N -1 1 353.381 4.300 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1C ZINC000433110817 1093263146 /nfs/dbraw/zinc/26/31/46/1093263146.db2.gz CIUOWTJROXNDNU-UHFFFAOYSA-N -1 1 372.805 4.113 20 5 FIBDMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000436811828 1099337953 /nfs/dbraw/zinc/33/79/53/1099337953.db2.gz KNGFGAZZAOMYRX-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM CSc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000537195998 1101529451 /nfs/dbraw/zinc/52/94/51/1101529451.db2.gz KRGJSJXPEJUHNI-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000477730686 1103824991 /nfs/dbraw/zinc/82/49/91/1103824991.db2.gz HKFLFXJWUJEEMF-UHFFFAOYSA-N -1 1 370.796 4.441 20 5 FIBDMM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629092 1108022244 /nfs/dbraw/zinc/02/22/44/1108022244.db2.gz LONXTWRHLQBNSG-UHFFFAOYSA-N -1 1 351.815 4.396 20 5 FIBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1[O-] ZINC000445432167 1108743260 /nfs/dbraw/zinc/74/32/60/1108743260.db2.gz SYAKXCUBZFAVRL-UHFFFAOYSA-N -1 1 361.741 4.070 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncoc1-c1ccccc1Cl ZINC000172688125 1115974370 /nfs/dbraw/zinc/97/43/70/1115974370.db2.gz DGIGHFABSGWVMJ-UHFFFAOYSA-N -1 1 361.716 4.295 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000540212089 1117938680 /nfs/dbraw/zinc/93/86/80/1117938680.db2.gz OLHRCEWSQMNUJC-UHFFFAOYSA-N -1 1 362.451 4.310 20 5 FIBDMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001212478380 1125289210 /nfs/dbraw/zinc/28/92/10/1125289210.db2.gz WLOUUTVEGIHPCQ-QMMMGPOBSA-N -1 1 369.270 4.005 20 5 FIBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109127316 1085591888 /nfs/dbraw/zinc/59/18/88/1085591888.db2.gz VGSAEPWGSBPMBG-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518692588 1101432686 /nfs/dbraw/zinc/43/26/86/1101432686.db2.gz KPYAQNCDIMXLJQ-UHFFFAOYSA-N -1 1 368.418 4.178 20 5 FIBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C(F)(F)F ZINC000519041235 1101874071 /nfs/dbraw/zinc/87/40/71/1101874071.db2.gz HFALQCQHDWZSRM-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=C([O-])[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000426804652 1103002263 /nfs/dbraw/zinc/00/22/63/1103002263.db2.gz VNRGPYMVTVGVES-INIZCTEOSA-N -1 1 374.443 4.300 20 5 FIBDMM CCC[C@@H](C)C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426817633 1103013745 /nfs/dbraw/zinc/01/37/45/1103013745.db2.gz CMCIGWKZROLSIM-CZUORRHYSA-N -1 1 360.410 4.224 20 5 FIBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000543746708 1103474345 /nfs/dbraw/zinc/47/43/45/1103474345.db2.gz LSQKNHHPYAQTTD-UHFFFAOYSA-N -1 1 350.371 4.194 20 5 FIBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000445008729 1108372397 /nfs/dbraw/zinc/37/23/97/1108372397.db2.gz QTPXBWFNOLUXQG-MRXNPFEDSA-N -1 1 357.410 4.089 20 5 FIBDMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445450671 1108752721 /nfs/dbraw/zinc/75/27/21/1108752721.db2.gz UVSMNCJYXGTPES-UHFFFAOYSA-N -1 1 359.769 4.330 20 5 FIBDMM O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444927 1108771482 /nfs/dbraw/zinc/77/14/82/1108771482.db2.gz HUOXHTBEQQKVAB-KXFIGUGUSA-N -1 1 361.716 4.313 20 5 FIBDMM O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445452305 1108786325 /nfs/dbraw/zinc/78/63/25/1108786325.db2.gz QDAAPBWRELCBPJ-UHFFFAOYSA-N -1 1 374.784 4.049 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000446961687 1109400030 /nfs/dbraw/zinc/40/00/30/1109400030.db2.gz BOBIYRDFJMHSAP-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM CCOc1ccc(F)c([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])c1F ZINC000486432442 1113566972 /nfs/dbraw/zinc/56/69/72/1113566972.db2.gz IFCHBHLNEMYJBP-UHFFFAOYSA-N -1 1 368.361 4.246 20 5 FIBDMM Cc1csc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c(C)c2)n1 ZINC000608879338 1116133560 /nfs/dbraw/zinc/13/35/60/1116133560.db2.gz RAHHSXPOZRLTFN-UHFFFAOYSA-N -1 1 374.447 4.400 20 5 FIBDMM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609762325 1123835522 /nfs/dbraw/zinc/83/55/22/1123835522.db2.gz BPBWXEZRFVETRC-UHFFFAOYSA-N -1 1 351.362 4.063 20 5 FIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000216131000 1080210481 /nfs/dbraw/zinc/21/04/81/1080210481.db2.gz BBEOTGGJPWCQTO-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000125974690 1086759993 /nfs/dbraw/zinc/75/99/93/1086759993.db2.gz FLVCGEBTIOEWSN-UHFFFAOYSA-N -1 1 365.317 4.150 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3OCc3ccccc3)no2)[n-]1 ZINC000504848043 1087916765 /nfs/dbraw/zinc/91/67/65/1087916765.db2.gz YJOPVAWMNBCBAT-UHFFFAOYSA-N -1 1 362.345 4.219 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)[n-]1 ZINC000504858066 1087927669 /nfs/dbraw/zinc/92/76/69/1087927669.db2.gz LVIATNMESQAMMF-UHFFFAOYSA-N -1 1 362.345 4.219 20 5 FIBDMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000436815493 1099328865 /nfs/dbraw/zinc/32/88/65/1099328865.db2.gz WMQMMZFSQOROOO-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM O=C([O-])C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000426755360 1102971284 /nfs/dbraw/zinc/97/12/84/1102971284.db2.gz YQPVLYWLEJXZTL-OAHLLOKOSA-N -1 1 369.204 4.207 20 5 FIBDMM CCC[C@@H](C)C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426817632 1103012710 /nfs/dbraw/zinc/01/27/10/1103012710.db2.gz CMCIGWKZROLSIM-CJNGLKHVSA-N -1 1 360.410 4.224 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000536458037 1105142690 /nfs/dbraw/zinc/14/26/90/1105142690.db2.gz CTMNKZQCWWMFDI-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=[N+]([O-])c1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c(Cl)c1 ZINC000445447807 1108773933 /nfs/dbraw/zinc/77/39/33/1108773933.db2.gz QGFKANWJPRARDZ-UHFFFAOYSA-N -1 1 366.160 4.248 20 5 FIBDMM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000445580476 1108886507 /nfs/dbraw/zinc/88/65/07/1108886507.db2.gz WDISAWWKIMKMLT-UHFFFAOYSA-N -1 1 369.377 4.073 20 5 FIBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3csc([N+](=O)[O-])c3)s2)c1 ZINC000524508596 1109049381 /nfs/dbraw/zinc/04/93/81/1109049381.db2.gz KCWDOMIXSJYADG-UHFFFAOYSA-N -1 1 360.420 4.044 20 5 FIBDMM O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000446236952 1109155781 /nfs/dbraw/zinc/15/57/81/1109155781.db2.gz XKJGOJPGQBPCEH-UHFFFAOYSA-N -1 1 353.382 4.099 20 5 FIBDMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc([N+](=O)[O-])c1 ZINC000056249041 1114676658 /nfs/dbraw/zinc/67/66/58/1114676658.db2.gz WYARTGHTUZXLPP-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000915834823 1121123578 /nfs/dbraw/zinc/12/35/78/1121123578.db2.gz RWWQIJHCWONXJJ-UHFFFAOYSA-N -1 1 372.406 4.493 20 5 FIBDMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000064848737 1081106742 /nfs/dbraw/zinc/10/67/42/1081106742.db2.gz ZRUJMLMXTLUZGB-UHFFFAOYSA-N -1 1 367.770 4.131 20 5 FIBDMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cc(F)cc([N+](=O)[O-])c1 ZINC001167439632 1082239935 /nfs/dbraw/zinc/23/99/35/1082239935.db2.gz BZRNGQXODIRWJC-UHFFFAOYSA-N -1 1 360.728 4.498 20 5 FIBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500316402 1091272784 /nfs/dbraw/zinc/27/27/84/1091272784.db2.gz NQRQGTVCUKAUOJ-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1[nH]nc(C(=O)[N-]c2ccccc2SCc2ccccc2)c1[N+](=O)[O-] ZINC000729305875 1093959323 /nfs/dbraw/zinc/95/93/23/1093959323.db2.gz PFMSCXMPGRBZLI-UHFFFAOYSA-N -1 1 368.418 4.171 20 5 FIBDMM CC(C)(C)CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426738163 1102955999 /nfs/dbraw/zinc/95/59/99/1102955999.db2.gz TYJKYCPVQGWGPY-MRXNPFEDSA-N -1 1 360.410 4.224 20 5 FIBDMM CSc1cccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c1[N+](=O)[O-] ZINC000486431796 1113566749 /nfs/dbraw/zinc/56/67/49/1113566749.db2.gz DJUKXKGKZCQCEV-UHFFFAOYSA-N -1 1 366.345 4.050 20 5 FIBDMM CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000463522675 1118202877 /nfs/dbraw/zinc/20/28/77/1118202877.db2.gz WJWNKSFDKGDOEW-UHFFFAOYSA-N -1 1 372.855 4.079 20 5 FIBDMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491609879 1118970814 /nfs/dbraw/zinc/97/08/14/1118970814.db2.gz LNJZMLAKBBQOIJ-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761505134 1119406655 /nfs/dbraw/zinc/40/66/55/1119406655.db2.gz GHFYDAFXWZMQMA-UHFFFAOYSA-N -1 1 374.824 4.049 20 5 FIBDMM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1 ZINC000499172479 1123305350 /nfs/dbraw/zinc/30/53/50/1123305350.db2.gz UWMFFTTUIMPBDC-CZUORRHYSA-N -1 1 357.410 4.271 20 5 FIBDMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541794168 567832511 /nfs/dbraw/zinc/83/25/11/567832511.db2.gz PKCPFGLRABSWMV-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609034834 1080249391 /nfs/dbraw/zinc/24/93/91/1080249391.db2.gz AVWRIQMNXGHTPA-UHFFFAOYSA-N -1 1 364.386 4.452 20 5 FIBDMM CCCCc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000477611088 1082924879 /nfs/dbraw/zinc/92/48/79/1082924879.db2.gz KVCFYWCKOQDEJJ-UHFFFAOYSA-N -1 1 354.819 4.003 20 5 FIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(CC)CC)s2)c1 ZINC000548960217 1084097353 /nfs/dbraw/zinc/09/73/53/1084097353.db2.gz ABCKDJCESOWKKQ-UHFFFAOYSA-N -1 1 364.427 4.001 20 5 FIBDMM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000472359562 1087791659 /nfs/dbraw/zinc/79/16/59/1087791659.db2.gz GIOYUCMUOVFELJ-UHFFFAOYSA-N -1 1 351.362 4.063 20 5 FIBDMM CN(CCCc1cc(-c2ccccc2)no1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092664023 1091074443 /nfs/dbraw/zinc/07/44/43/1091074443.db2.gz DWYLAJRTKZJCGG-UHFFFAOYSA-N -1 1 367.405 4.020 20 5 FIBDMM COCCCOc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000473462698 1092913993 /nfs/dbraw/zinc/91/39/93/1092913993.db2.gz PMVMRMWCWAXOJI-UHFFFAOYSA-N -1 1 360.413 4.159 20 5 FIBDMM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000474842758 1094745113 /nfs/dbraw/zinc/74/51/13/1094745113.db2.gz AZYLGRGIYOJQTC-UHFFFAOYSA-N -1 1 361.279 4.260 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000185971859 1095145998 /nfs/dbraw/zinc/14/59/98/1095145998.db2.gz BENGCHKQWVJPPZ-UHFFFAOYSA-N -1 1 366.468 4.153 20 5 FIBDMM Cc1csc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000487472593 1106976358 /nfs/dbraw/zinc/97/63/58/1106976358.db2.gz CQOCFOLGICYKSA-UHFFFAOYSA-N -1 1 360.420 4.091 20 5 FIBDMM CCOc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445413021 1108723526 /nfs/dbraw/zinc/72/35/26/1108723526.db2.gz WGRVQGKQSRGTJD-UHFFFAOYSA-N -1 1 361.741 4.070 20 5 FIBDMM O=[N+]([O-])c1ccc2c(-c3nc(-c4ccc([O-])cc4Cl)no3)c[nH]c2c1 ZINC000445445648 1108771134 /nfs/dbraw/zinc/77/11/34/1108771134.db2.gz JVUJHNKDNNQCNN-UHFFFAOYSA-N -1 1 356.725 4.152 20 5 FIBDMM CC(C)c1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000482750828 1113350768 /nfs/dbraw/zinc/35/07/68/1113350768.db2.gz WKQKHOXGBBFFNE-UHFFFAOYSA-N -1 1 373.800 4.138 20 5 FIBDMM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001212162011 1114884651 /nfs/dbraw/zinc/88/46/51/1114884651.db2.gz KEDPCPBLYZVFHI-CHWSQXEVSA-N -1 1 374.890 4.133 20 5 FIBDMM C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738872 1115811286 /nfs/dbraw/zinc/81/12/86/1115811286.db2.gz MNXGRLOVKXJQEY-GFCCVEGCSA-N -1 1 362.813 4.009 20 5 FIBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000491312597 1118442716 /nfs/dbraw/zinc/44/27/16/1118442716.db2.gz PBWKMAKVKPSVOL-UHFFFAOYSA-N -1 1 366.358 4.112 20 5 FIBDMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ccccc1[N+](=O)[O-] ZINC000191839103 1119998541 /nfs/dbraw/zinc/99/85/41/1119998541.db2.gz RDMOOPMHTAVHSI-UHFFFAOYSA-N -1 1 366.358 4.112 20 5 FIBDMM Cc1cccc(COc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)c1 ZINC000609533545 1123745476 /nfs/dbraw/zinc/74/54/76/1123745476.db2.gz STUXXVJWJUKSOQ-UHFFFAOYSA-N -1 1 351.362 4.063 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000585731803 1086674348 /nfs/dbraw/zinc/67/43/48/1086674348.db2.gz CQGJAECKWZUYKS-OAHLLOKOSA-N -1 1 372.402 4.222 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)[n-]1 ZINC000504846379 1087913608 /nfs/dbraw/zinc/91/36/08/1087913608.db2.gz NHKLDVZJQJMRNK-UHFFFAOYSA-N -1 1 362.345 4.219 20 5 FIBDMM CC[C@@H](c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000521632041 1092805714 /nfs/dbraw/zinc/80/57/14/1092805714.db2.gz YROPQQQADVNZNX-GFCCVEGCSA-N -1 1 374.447 4.302 20 5 FIBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436871337 1099385601 /nfs/dbraw/zinc/38/56/01/1099385601.db2.gz HDONPWSFSQBGQU-GFCCVEGCSA-N -1 1 357.341 4.226 20 5 FIBDMM Cc1cccc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c(C)c2)c1 ZINC000518490973 1101240667 /nfs/dbraw/zinc/24/06/67/1101240667.db2.gz ZDWWWBUWKRSOCT-UHFFFAOYSA-N -1 1 365.389 4.371 20 5 FIBDMM O=C([O-])C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000426755359 1102971665 /nfs/dbraw/zinc/97/16/65/1102971665.db2.gz YQPVLYWLEJXZTL-HNNXBMFYSA-N -1 1 369.204 4.207 20 5 FIBDMM CCC[C@H](C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426795794 1102996295 /nfs/dbraw/zinc/99/62/95/1102996295.db2.gz YOOYKMLXSSOSDF-GUYCJALGSA-N -1 1 360.410 4.224 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000026561856 1107592046 /nfs/dbraw/zinc/59/20/46/1107592046.db2.gz FYRRWPJFWWLPBO-UHFFFAOYSA-N -1 1 354.819 4.256 20 5 FIBDMM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629170 1108021759 /nfs/dbraw/zinc/02/17/59/1108021759.db2.gz XCKMNHGHASMDBY-UHFFFAOYSA-N -1 1 351.815 4.396 20 5 FIBDMM C[C@@H](Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000523718318 1108476086 /nfs/dbraw/zinc/47/60/86/1108476086.db2.gz OEFVMMUESLJEIG-CYBMUJFWSA-N -1 1 351.362 4.315 20 5 FIBDMM CC(C)c1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1Cl ZINC000482726211 1113340712 /nfs/dbraw/zinc/34/07/12/1113340712.db2.gz ZUCOBHVFYFSWRX-UHFFFAOYSA-N -1 1 373.800 4.138 20 5 FIBDMM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111665967 1119329934 /nfs/dbraw/zinc/32/99/34/1119329934.db2.gz BGTDSTNBMNZUKI-MRVPVSSYSA-N -1 1 371.176 4.013 20 5 FIBDMM O=C([N-]c1cccc(Cl)c1SC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000762188144 1120766919 /nfs/dbraw/zinc/76/69/19/1120766919.db2.gz SVTQAJTWWBSUSH-UHFFFAOYSA-N -1 1 359.741 4.210 20 5 FIBDMM COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)oc1ccccc12 ZINC000917953130 1122495460 /nfs/dbraw/zinc/49/54/60/1122495460.db2.gz SNNCGOYHKAHJJI-UHFFFAOYSA-N -1 1 351.318 4.083 20 5 FIBDMM CSc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000541791473 567821287 /nfs/dbraw/zinc/82/12/87/567821287.db2.gz FVYQUKQOBFXRRO-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C([N-]c1cc(F)cc(F)c1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000569034186 568273122 /nfs/dbraw/zinc/27/31/22/568273122.db2.gz GVDLGGXSAZJLKB-UHFFFAOYSA-N -1 1 373.290 4.326 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(-c2ccccc2)s1 ZINC000120088594 1079568751 /nfs/dbraw/zinc/56/87/51/1079568751.db2.gz MERUAGGAKOKPRM-UHFFFAOYSA-N -1 1 361.329 4.249 20 5 FIBDMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000512128293 1086798127 /nfs/dbraw/zinc/79/81/27/1086798127.db2.gz GMDWLSWRNNJPJM-UHFFFAOYSA-N -1 1 358.741 4.016 20 5 FIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(F)(F)F ZINC000512568850 1092943536 /nfs/dbraw/zinc/94/35/36/1092943536.db2.gz MZJUGERCHFYHIU-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1c(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000185049868 1093333968 /nfs/dbraw/zinc/33/39/68/1093333968.db2.gz QTQOIWYARRZXOB-UHFFFAOYSA-N -1 1 367.430 4.254 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000474310822 1093667216 /nfs/dbraw/zinc/66/72/16/1093667216.db2.gz YFPYHDAGLYRURS-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000438268961 1100559114 /nfs/dbraw/zinc/55/91/14/1100559114.db2.gz SSEJLPFWHQRAAH-QGZVFWFLSA-N -1 1 372.812 4.167 20 5 FIBDMM CCC[C@H](C)C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426817631 1103012182 /nfs/dbraw/zinc/01/21/82/1103012182.db2.gz CMCIGWKZROLSIM-BBRMVZONSA-N -1 1 360.410 4.224 20 5 FIBDMM CSc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000018707140 1104053661 /nfs/dbraw/zinc/05/36/61/1104053661.db2.gz SPQYREAUVYVYAT-UHFFFAOYSA-N -1 1 372.855 4.079 20 5 FIBDMM CCOc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000590551415 1114945492 /nfs/dbraw/zinc/94/54/92/1114945492.db2.gz YWDWTGCVNYOHBZ-UHFFFAOYSA-N -1 1 364.785 4.222 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000010514361 204398146 /nfs/dbraw/zinc/39/81/46/204398146.db2.gz FYTGEKCALGFQRC-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000436601307 567983067 /nfs/dbraw/zinc/98/30/67/567983067.db2.gz JSCFZKSUTJBWRJ-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167441217 1082267987 /nfs/dbraw/zinc/26/79/87/1082267987.db2.gz ZUTVJDKIWAYKHM-UHFFFAOYSA-N -1 1 356.765 4.288 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000180160192 1084754740 /nfs/dbraw/zinc/75/47/40/1084754740.db2.gz PCDHOUYHAZXHSG-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000514066020 1088710562 /nfs/dbraw/zinc/71/05/62/1088710562.db2.gz IUVSHXJABYXDRV-UHFFFAOYSA-N -1 1 360.395 4.178 20 5 FIBDMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000515016974 1089718833 /nfs/dbraw/zinc/71/88/33/1089718833.db2.gz YWWBGQYZTFAGHN-UHFFFAOYSA-N -1 1 368.414 4.371 20 5 FIBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000504088717 1096659502 /nfs/dbraw/zinc/65/95/02/1096659502.db2.gz KCCJBWKMKPVPQR-UHFFFAOYSA-N -1 1 374.394 4.138 20 5 FIBDMM Cc1[nH]c(SCc2cc([O-])ccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000436473078 1099049401 /nfs/dbraw/zinc/04/94/01/1099049401.db2.gz DRFWWZZDSGJGIQ-UHFFFAOYSA-N -1 1 355.419 4.215 20 5 FIBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000476254864 1102065098 /nfs/dbraw/zinc/06/50/98/1102065098.db2.gz XTQIMLVTBUVORE-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(F)c1F ZINC000461086683 1104070256 /nfs/dbraw/zinc/07/02/56/1104070256.db2.gz LXSKRKTZSWOPIB-UHFFFAOYSA-N -1 1 372.686 4.120 20 5 FIBDMM O=[N+]([O-])c1cc(Cl)cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450376 1108753974 /nfs/dbraw/zinc/75/39/74/1108753974.db2.gz YFMUTTMWWLYPQM-UHFFFAOYSA-N -1 1 352.133 4.324 20 5 FIBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478559 1108797737 /nfs/dbraw/zinc/79/77/37/1108797737.db2.gz HFBXITHIYUWYLD-SECBINFHSA-N -1 1 361.354 4.343 20 5 FIBDMM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000524123674 1108844865 /nfs/dbraw/zinc/84/48/65/1108844865.db2.gz VHSDBOSYHGJEJX-UHFFFAOYSA-N -1 1 369.352 4.202 20 5 FIBDMM Cc1cc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1C ZINC000524577170 1109083736 /nfs/dbraw/zinc/08/37/36/1109083736.db2.gz DHQVXZVRKNSBDT-UHFFFAOYSA-N -1 1 356.407 4.224 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000555393394 1112811052 /nfs/dbraw/zinc/81/10/52/1112811052.db2.gz WGJZITJOBMNADI-CYBMUJFWSA-N -1 1 373.478 4.015 20 5 FIBDMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000059742038 1115555500 /nfs/dbraw/zinc/55/55/00/1115555500.db2.gz BHKVUVCZOYGFSU-UHFFFAOYSA-N -1 1 359.288 4.089 20 5 FIBDMM Cc1sc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000913687188 1118970652 /nfs/dbraw/zinc/97/06/52/1118970652.db2.gz ZKMULCDHXHLFAZ-UHFFFAOYSA-N -1 1 352.441 4.116 20 5 FIBDMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000436607982 568032983 /nfs/dbraw/zinc/03/29/83/568032983.db2.gz SZKLPKLVPBBATF-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000175748899 1079983220 /nfs/dbraw/zinc/98/32/20/1079983220.db2.gz IBYZFZJDJKPSIR-UHFFFAOYSA-N -1 1 354.819 4.085 20 5 FIBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120653630 1080369305 /nfs/dbraw/zinc/36/93/05/1080369305.db2.gz WTNRYNVQWDWXAV-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM CCc1nc(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]c(=O)c1C ZINC000580096950 1081588014 /nfs/dbraw/zinc/58/80/14/1081588014.db2.gz UTOXCAUYKUOSGQ-UHFFFAOYSA-N -1 1 373.356 4.272 20 5 FIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000439137995 1093012393 /nfs/dbraw/zinc/01/23/93/1093012393.db2.gz UOWDVJCRJKIQED-UHFFFAOYSA-N -1 1 374.809 4.327 20 5 FIBDMM Cc1c(=O)[n-]c(SCc2c(F)cccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000185054737 1093350205 /nfs/dbraw/zinc/35/02/05/1093350205.db2.gz YUUZOMLQUPIXSZ-UHFFFAOYSA-N -1 1 371.393 4.085 20 5 FIBDMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2cc3ccccc3cc21 ZINC000187767669 1102309561 /nfs/dbraw/zinc/30/95/61/1102309561.db2.gz JJMADVGZAQNUPJ-UHFFFAOYSA-N -1 1 356.410 4.262 20 5 FIBDMM CC(C)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000536454223 1105133443 /nfs/dbraw/zinc/13/34/43/1105133443.db2.gz SOACGAWKKYYUEB-UHFFFAOYSA-N -1 1 352.188 4.061 20 5 FIBDMM O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445445602 1108770934 /nfs/dbraw/zinc/77/09/34/1108770934.db2.gz JPJQQRDEKOOMTC-UHFFFAOYSA-N -1 1 352.133 4.324 20 5 FIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000491059397 1114368148 /nfs/dbraw/zinc/36/81/48/1114368148.db2.gz ZSGUOJDUNOJHJC-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM C[C@H](Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)c1ccccc1 ZINC000609071775 1116269409 /nfs/dbraw/zinc/26/94/09/1116269409.db2.gz ACCGFFLLJQBFMR-ZDUSSCGKSA-N -1 1 350.378 4.348 20 5 FIBDMM CSc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000540498773 1118094705 /nfs/dbraw/zinc/09/47/05/1118094705.db2.gz MYWTXYMNJVXZMY-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000122707776 1121043591 /nfs/dbraw/zinc/04/35/91/1121043591.db2.gz YVYSPLUPWKABSR-UHFFFAOYSA-N -1 1 374.315 4.483 20 5 FIBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)cc1C(F)(F)F ZINC000916108933 1121416700 /nfs/dbraw/zinc/41/67/00/1121416700.db2.gz CNBWGWORCPIPPV-HJWRWDBZSA-N -1 1 372.324 4.026 20 5 FIBDMM Cc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)s2)c(C)c1 ZINC000065085826 1083316909 /nfs/dbraw/zinc/31/69/09/1083316909.db2.gz JNLWIWYCIFVGBM-UHFFFAOYSA-N -1 1 372.381 4.122 20 5 FIBDMM CC(C)COc1ccc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000549536781 1085466112 /nfs/dbraw/zinc/46/61/12/1085466112.db2.gz XSYZVUHYTHXAHJ-UHFFFAOYSA-N -1 1 358.438 4.360 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000512010683 1086643460 /nfs/dbraw/zinc/64/34/60/1086643460.db2.gz RYQFMZNJOBYRJA-LLVKDONJSA-N -1 1 356.235 4.051 20 5 FIBDMM CSc1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1[N+](=O)[O-] ZINC000188165328 1087709399 /nfs/dbraw/zinc/70/93/99/1087709399.db2.gz NVZAFLKRVCPPIO-UHFFFAOYSA-N -1 1 352.799 4.236 20 5 FIBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000564702364 1089083490 /nfs/dbraw/zinc/08/34/90/1089083490.db2.gz NVWQKYNUBRPTBQ-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000417607634 1090937568 /nfs/dbraw/zinc/93/75/68/1090937568.db2.gz GVGHDZBDHYNLSD-GOSISDBHSA-N -1 1 372.421 4.368 20 5 FIBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869835 1099381573 /nfs/dbraw/zinc/38/15/73/1099381573.db2.gz BZJDEKAICIQLQA-LBPRGKRZSA-N -1 1 357.341 4.226 20 5 FIBDMM CC(C)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000440319198 1102205779 /nfs/dbraw/zinc/20/57/79/1102205779.db2.gz URPZIYCQHMLJHW-UHFFFAOYSA-N -1 1 366.377 4.066 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccsc1 ZINC000426684296 1102919806 /nfs/dbraw/zinc/91/98/06/1102919806.db2.gz ZATUFJLQZCVAHX-INIZCTEOSA-N -1 1 372.402 4.222 20 5 FIBDMM CCC[C@@H](C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426795792 1102995873 /nfs/dbraw/zinc/99/58/73/1102995873.db2.gz YOOYKMLXSSOSDF-CXAGYDPISA-N -1 1 360.410 4.224 20 5 FIBDMM CCC[C@@H](C)C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426823618 1103020813 /nfs/dbraw/zinc/02/08/13/1103020813.db2.gz JSAKCECBGAGUKY-DYVFJYSZSA-N -1 1 360.410 4.224 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC000843771659 1104504843 /nfs/dbraw/zinc/50/48/43/1104504843.db2.gz JXQBKFULISWDJB-UHFFFAOYSA-N -1 1 352.391 4.050 20 5 FIBDMM O=[N+]([O-])c1ccc(SCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450247 1108755288 /nfs/dbraw/zinc/75/52/88/1108755288.db2.gz XIHQFSCNKFSGCA-UHFFFAOYSA-N -1 1 363.782 4.296 20 5 FIBDMM CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000539192035 1111473519 /nfs/dbraw/zinc/47/35/19/1111473519.db2.gz YHQKWHDQVVFRAM-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C(Nc1ccccc1NCCCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000480816241 1112620487 /nfs/dbraw/zinc/62/04/87/1112620487.db2.gz XMAGILWQPXUOFV-UHFFFAOYSA-N -1 1 364.405 4.220 20 5 FIBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000603573771 1115793665 /nfs/dbraw/zinc/79/36/65/1115793665.db2.gz REBRNOBNKFRKJN-UHFFFAOYSA-N -1 1 368.370 4.295 20 5 FIBDMM O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000494298456 1119823347 /nfs/dbraw/zinc/82/33/47/1119823347.db2.gz CAGIYQQVSFYCPI-UHFFFAOYSA-N -1 1 358.304 4.197 20 5 FIBDMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001212478475 1125290052 /nfs/dbraw/zinc/29/00/52/1125290052.db2.gz YLTDCJDANNHBFS-QMMMGPOBSA-N -1 1 369.270 4.005 20 5 FIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000471137151 1079804216 /nfs/dbraw/zinc/80/42/16/1079804216.db2.gz NSMKQIDGGXURDD-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM CC[C@H](c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000521632042 1092805140 /nfs/dbraw/zinc/80/51/40/1092805140.db2.gz YROPQQQADVNZNX-LBPRGKRZSA-N -1 1 374.447 4.302 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000509628765 1093797851 /nfs/dbraw/zinc/79/78/51/1093797851.db2.gz MZSFJSXLFWLXGT-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000517249314 1100225933 /nfs/dbraw/zinc/22/59/33/1100225933.db2.gz XGPVAMUVIDONAV-ZDUSSCGKSA-N -1 1 369.446 4.290 20 5 FIBDMM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518693713 1101434756 /nfs/dbraw/zinc/43/47/56/1101434756.db2.gz ZPIASOCEHFYTSP-UHFFFAOYSA-N -1 1 364.386 4.452 20 5 FIBDMM CCC[C@H](C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426795795 1102995861 /nfs/dbraw/zinc/99/58/61/1102995861.db2.gz YOOYKMLXSSOSDF-SUMWQHHRSA-N -1 1 360.410 4.224 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000006646595 1104039034 /nfs/dbraw/zinc/03/90/34/1104039034.db2.gz MXUIWOULZNQALQ-UHFFFAOYSA-N -1 1 354.819 4.085 20 5 FIBDMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1ccc([N+](=O)[O-])cc1F ZINC000445449877 1108752395 /nfs/dbraw/zinc/75/23/95/1108752395.db2.gz QEWPCOXSYSXTHY-MRVPVSSYSA-N -1 1 363.732 4.295 20 5 FIBDMM CSc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000445444457 1108769098 /nfs/dbraw/zinc/76/90/98/1108769098.db2.gz FYUKNDXOLGDRPS-UHFFFAOYSA-N -1 1 363.782 4.393 20 5 FIBDMM Cc1noc(C)c1[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447345995 1109520566 /nfs/dbraw/zinc/52/05/66/1109520566.db2.gz ATFBAYRASJSIID-UHFFFAOYSA-N -1 1 367.361 4.031 20 5 FIBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000023323962 1109964908 /nfs/dbraw/zinc/96/49/08/1109964908.db2.gz JYGUQWGOWASQDC-UHFFFAOYSA-N -1 1 368.842 4.228 20 5 FIBDMM CCOc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C)cc1 ZINC000604046644 1115844104 /nfs/dbraw/zinc/84/41/04/1115844104.db2.gz HKDMLBYJLQVRPX-UHFFFAOYSA-N -1 1 372.406 4.006 20 5 FIBDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000460829310 1119064378 /nfs/dbraw/zinc/06/43/78/1119064378.db2.gz FHYGEWCAUKYPMC-UHFFFAOYSA-N -1 1 373.434 4.069 20 5 FIBDMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000190947306 1119955213 /nfs/dbraw/zinc/95/52/13/1119955213.db2.gz HFHORZNJEJBRKR-UHFFFAOYSA-N -1 1 373.699 4.199 20 5 FIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccc2SC)c1 ZINC000064847900 1125085498 /nfs/dbraw/zinc/08/54/98/1125085498.db2.gz NFGOBWRYZOHFRO-UHFFFAOYSA-N -1 1 352.799 4.231 20 5 FIBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414679608 1088923975 /nfs/dbraw/zinc/92/39/75/1088923975.db2.gz KFTIECQCWWXZIJ-LLVKDONJSA-N -1 1 366.801 4.193 20 5 FIBDMM CCc1[nH]nc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)c1[N+](=O)[O-] ZINC000444167645 1095807441 /nfs/dbraw/zinc/80/74/41/1095807441.db2.gz FQMMGGUMRNPKFT-UHFFFAOYSA-N -1 1 370.340 4.064 20 5 FIBDMM CSc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1[N+](=O)[O-] ZINC000436870681 1099381969 /nfs/dbraw/zinc/38/19/69/1099381969.db2.gz HWRKUCOYSMHDIX-UHFFFAOYSA-N -1 1 363.782 4.393 20 5 FIBDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000536894488 1101314524 /nfs/dbraw/zinc/31/45/24/1101314524.db2.gz VJGCMLSDVPOUNT-UHFFFAOYSA-N -1 1 362.451 4.246 20 5 FIBDMM O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4Cl)no3)c2c1 ZINC000445445260 1108770699 /nfs/dbraw/zinc/77/06/99/1108770699.db2.gz IRELRBDXOOFTGT-UHFFFAOYSA-N -1 1 370.752 4.076 20 5 FIBDMM O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446368 1108773454 /nfs/dbraw/zinc/77/34/54/1108773454.db2.gz DGDAHHHRTUWJHX-UHFFFAOYSA-N -1 1 367.695 4.144 20 5 FIBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445460892 1108793515 /nfs/dbraw/zinc/79/35/15/1108793515.db2.gz DGDDYUDLVHNHDV-SECBINFHSA-N -1 1 361.354 4.343 20 5 FIBDMM O=C([N-]c1scnc1C1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486441429 1113568799 /nfs/dbraw/zinc/56/87/99/1113568799.db2.gz HARXLSNAOLQVHN-UHFFFAOYSA-N -1 1 374.241 4.005 20 5 FIBDMM CC(C)CCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000597871075 1115689369 /nfs/dbraw/zinc/68/93/69/1115689369.db2.gz VIFRVTVFMFWQQU-UHFFFAOYSA-N -1 1 360.395 4.033 20 5 FIBDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000063476135 1116072114 /nfs/dbraw/zinc/07/21/14/1116072114.db2.gz OGWPBJQUDNKJMG-UHFFFAOYSA-N -1 1 373.434 4.069 20 5 FIBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000608871755 1116132970 /nfs/dbraw/zinc/13/29/70/1116132970.db2.gz ZRIFXMDBCWEPLX-UHFFFAOYSA-N -1 1 361.716 4.295 20 5 FIBDMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1csc([N+](=O)[O-])c1 ZINC000170803738 1123389560 /nfs/dbraw/zinc/38/95/60/1123389560.db2.gz LICSCPQHKCWODZ-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000609913742 1123878353 /nfs/dbraw/zinc/87/83/53/1123878353.db2.gz WCSRWLIMIWHAHY-UHFFFAOYSA-N -1 1 359.329 4.138 20 5 FIBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000182025563 1125218043 /nfs/dbraw/zinc/21/80/43/1125218043.db2.gz JPJDMVBCVQZLOA-UHFFFAOYSA-N -1 1 350.371 4.192 20 5 FIBDMM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000165037562 1080312014 /nfs/dbraw/zinc/31/20/14/1080312014.db2.gz BRDFJXQNAXXZIF-UHFFFAOYSA-N -1 1 373.390 4.427 20 5 FIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000071974113 1084484186 /nfs/dbraw/zinc/48/41/86/1084484186.db2.gz ZDZGEDJKBMZPLQ-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=C([N-]c1nc(C2CC2)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000277681112 1085107877 /nfs/dbraw/zinc/10/78/77/1085107877.db2.gz FPQYCYKBVULEBB-UHFFFAOYSA-N -1 1 374.241 4.005 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccs1 ZINC000585731877 1086674548 /nfs/dbraw/zinc/67/45/48/1086674548.db2.gz YXKHDYUAYYLFLA-HNNXBMFYSA-N -1 1 372.402 4.222 20 5 FIBDMM CCc1nc(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[n-]c(=O)c1C ZINC000583575416 1086814769 /nfs/dbraw/zinc/81/47/69/1086814769.db2.gz DZIWZQUBYVGZPI-UHFFFAOYSA-N -1 1 373.356 4.272 20 5 FIBDMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000616340065 1089932189 /nfs/dbraw/zinc/93/21/89/1089932189.db2.gz GOZJRYVMJYXCNO-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000443178702 1092972294 /nfs/dbraw/zinc/97/22/94/1092972294.db2.gz ZNLGZKISGOOBLN-UHFFFAOYSA-N -1 1 351.362 4.063 20 5 FIBDMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1[N+](=O)[O-] ZINC000436784291 1099317257 /nfs/dbraw/zinc/31/72/57/1099317257.db2.gz PIDBFQCOPJUHIT-UHFFFAOYSA-N -1 1 359.769 4.330 20 5 FIBDMM CCOc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cc(Br)c1[O-] ZINC000439537345 1101548756 /nfs/dbraw/zinc/54/87/56/1101548756.db2.gz YPVSCSOXMRJJPC-ONEGZZNKSA-N -1 1 365.183 4.027 20 5 FIBDMM COc1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])c1 ZINC000121835108 1102068512 /nfs/dbraw/zinc/06/85/12/1102068512.db2.gz KXAOUWXJJCUFEI-UHFFFAOYSA-N -1 1 373.752 4.164 20 5 FIBDMM C[C@H](Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000523718319 1108476911 /nfs/dbraw/zinc/47/69/11/1108476911.db2.gz OEFVMMUESLJEIG-ZDUSSCGKSA-N -1 1 351.362 4.315 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(Cl)c1 ZINC000445445795 1108770537 /nfs/dbraw/zinc/77/05/37/1108770537.db2.gz BIOSSVSYDKYPLW-UHFFFAOYSA-N -1 1 352.133 4.324 20 5 FIBDMM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000063447150 1116068449 /nfs/dbraw/zinc/06/84/49/1116068449.db2.gz GZUGIBOARPEZJA-UHFFFAOYSA-N -1 1 353.334 4.244 20 5 FIBDMM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000496614429 1121480981 /nfs/dbraw/zinc/48/09/81/1121480981.db2.gz IFYVUISAQMNACL-UHFFFAOYSA-N -1 1 364.398 4.440 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001167318812 1081362969 /nfs/dbraw/zinc/36/29/69/1081362969.db2.gz UTCMYKFNZHEWMV-UHFFFAOYSA-N -1 1 368.433 4.180 20 5 FIBDMM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000065069868 1083296119 /nfs/dbraw/zinc/29/61/19/1083296119.db2.gz WYYUQTONZFPBLC-UHFFFAOYSA-N -1 1 373.434 4.069 20 5 FIBDMM Cc1ccc(-c2nnc([N-]C(=O)c3csc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000065085620 1083314267 /nfs/dbraw/zinc/31/42/67/1083314267.db2.gz NKJPRDFHNTUDDD-UHFFFAOYSA-N -1 1 360.420 4.044 20 5 FIBDMM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([O-])c(F)c1 ZINC000613510040 1084883388 /nfs/dbraw/zinc/88/33/88/1084883388.db2.gz BVUYGTAENCSORF-UHFFFAOYSA-N -1 1 368.320 4.484 20 5 FIBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109111280 1085590394 /nfs/dbraw/zinc/59/03/94/1085590394.db2.gz HVMHOTSPJXOTNS-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 ZINC000585731793 1086674700 /nfs/dbraw/zinc/67/47/00/1086674700.db2.gz BABIMHLTGKEEFY-CQSZACIVSA-N -1 1 372.402 4.222 20 5 FIBDMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414679613 1088923209 /nfs/dbraw/zinc/92/32/09/1088923209.db2.gz KFTIECQCWWXZIJ-NSHDSACASA-N -1 1 366.801 4.193 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000502748922 1095782761 /nfs/dbraw/zinc/78/27/61/1095782761.db2.gz CWENNJXQPJZUKI-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM CCc1[nH]nc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)c1[N+](=O)[O-] ZINC000444260006 1095913648 /nfs/dbraw/zinc/91/36/48/1095913648.db2.gz ZSPUYCBAYGTVDT-UHFFFAOYSA-N -1 1 368.846 4.287 20 5 FIBDMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428583682 1099797142 /nfs/dbraw/zinc/79/71/42/1099797142.db2.gz NDYFVTRPPAXLIK-UHFFFAOYSA-N -1 1 358.741 4.016 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccsc1 ZINC000426692195 1102935966 /nfs/dbraw/zinc/93/59/66/1102935966.db2.gz PNJHBZAZWYVDKM-OAHLLOKOSA-N -1 1 372.402 4.222 20 5 FIBDMM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000120882081 1103605415 /nfs/dbraw/zinc/60/54/15/1103605415.db2.gz QYPXTHGJBLGCSE-UHFFFAOYSA-N -1 1 367.361 4.498 20 5 FIBDMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531628879 1108021700 /nfs/dbraw/zinc/02/17/00/1108021700.db2.gz YTRTVHFYDHGTJV-UHFFFAOYSA-N -1 1 373.768 4.253 20 5 FIBDMM O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444928 1108772553 /nfs/dbraw/zinc/77/25/53/1108772553.db2.gz HUOXHTBEQQKVAB-QHHAFSJGSA-N -1 1 361.716 4.313 20 5 FIBDMM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1 ZINC000499172476 1123305640 /nfs/dbraw/zinc/30/56/40/1123305640.db2.gz UWMFFTTUIMPBDC-CJNGLKHVSA-N -1 1 357.410 4.271 20 5 FIBDMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1F ZINC000763532395 1125546698 /nfs/dbraw/zinc/54/66/98/1125546698.db2.gz ZNYQTSQHEGBPJX-UHFFFAOYSA-N -1 1 362.666 4.365 20 5 FIBDMM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000504843101 1087930590 /nfs/dbraw/zinc/93/05/90/1087930590.db2.gz OHRYZRMIZBGSLS-UHFFFAOYSA-N -1 1 358.741 4.016 20 5 FIBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC2CCCC2)n1 ZINC000191526334 1102273680 /nfs/dbraw/zinc/27/36/80/1102273680.db2.gz ZIIWIAOQVMBLOP-UHFFFAOYSA-N -1 1 360.439 4.098 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccsc1 ZINC000426692194 1102936417 /nfs/dbraw/zinc/93/64/17/1102936417.db2.gz PNJHBZAZWYVDKM-HNNXBMFYSA-N -1 1 372.402 4.222 20 5 FIBDMM CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(Cl)c1[O-] ZINC000192729600 1103365159 /nfs/dbraw/zinc/36/51/59/1103365159.db2.gz WHHHTBMXAGXTLU-UHFFFAOYSA-N -1 1 364.785 4.222 20 5 FIBDMM COC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCC(c2ccccc2)CC1 ZINC000508592514 1109498565 /nfs/dbraw/zinc/49/85/65/1109498565.db2.gz ASAVXAZEXZVQMF-UHFFFAOYSA-N -1 1 368.393 4.172 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000539106311 1111425452 /nfs/dbraw/zinc/42/54/52/1111425452.db2.gz USVWCWNBDFWMKW-UHFFFAOYSA-N -1 1 362.451 4.211 20 5 FIBDMM CCc1nc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)[n-]c(=O)c1C ZINC000572976233 1114940195 /nfs/dbraw/zinc/94/01/95/1114940195.db2.gz MWNNNYZRCVRGNX-UHFFFAOYSA-N -1 1 363.439 4.041 20 5 FIBDMM C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738873 1115811102 /nfs/dbraw/zinc/81/11/02/1115811102.db2.gz MNXGRLOVKXJQEY-LBPRGKRZSA-N -1 1 362.813 4.009 20 5 FIBDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000443459851 1118377461 /nfs/dbraw/zinc/37/74/61/1118377461.db2.gz HPHOLFCEMAJYQX-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130870796 1124466698 /nfs/dbraw/zinc/46/66/98/1124466698.db2.gz NFKGBFSUQMCGAU-UHFFFAOYSA-N -1 1 357.753 4.464 20 5 FIBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000436508048 1099069448 /nfs/dbraw/zinc/06/94/48/1099069448.db2.gz YVTSAIDACYUSRH-UHFFFAOYSA-N -1 1 372.380 4.133 20 5 FIBDMM CC(C)(C)CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426738162 1102955489 /nfs/dbraw/zinc/95/54/89/1102955489.db2.gz TYJKYCPVQGWGPY-INIZCTEOSA-N -1 1 360.410 4.224 20 5 FIBDMM CCC[C@H](C)C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426817634 1103013622 /nfs/dbraw/zinc/01/36/22/1103013622.db2.gz CMCIGWKZROLSIM-XJKSGUPXSA-N -1 1 360.410 4.224 20 5 FIBDMM CCOC(=O)COc1cccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000481546805 1112977507 /nfs/dbraw/zinc/97/75/07/1112977507.db2.gz MOPKIDZXJLZLTG-UHFFFAOYSA-N -1 1 374.396 4.098 20 5 FIBDMM CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491611218 1118968797 /nfs/dbraw/zinc/96/87/97/1118968797.db2.gz YEKJNJMUAGLDCT-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000615705604 1124109976 /nfs/dbraw/zinc/10/99/76/1124109976.db2.gz XLMJRCOFQDAEPX-UHFFFAOYSA-N -1 1 360.797 4.053 20 5 FIBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000512010687 1086643639 /nfs/dbraw/zinc/64/36/39/1086643639.db2.gz RYQFMZNJOBYRJA-NSHDSACASA-N -1 1 356.235 4.051 20 5 FIBDMM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1ccccc1[N+](=O)[O-] ZINC000110380689 1091256525 /nfs/dbraw/zinc/25/65/25/1091256525.db2.gz REOQQHHRELBWRM-UHFFFAOYSA-N -1 1 360.782 4.019 20 5 FIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182150743 1091978093 /nfs/dbraw/zinc/97/80/93/1091978093.db2.gz DUUIDGQOORAHDE-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM CCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000520864937 1092329621 /nfs/dbraw/zinc/32/96/21/1092329621.db2.gz VUARLCFLSHJKTL-UHFFFAOYSA-N -1 1 372.406 4.088 20 5 FIBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869833 1099382295 /nfs/dbraw/zinc/38/22/95/1099382295.db2.gz BZJDEKAICIQLQA-GFCCVEGCSA-N -1 1 357.341 4.226 20 5 FIBDMM CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436870494 1099383793 /nfs/dbraw/zinc/38/37/93/1099383793.db2.gz PVNOOPCXOJVWCP-UHFFFAOYSA-N -1 1 361.741 4.070 20 5 FIBDMM COCc1c2ccccc2oc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000897481707 1102970815 /nfs/dbraw/zinc/97/08/15/1102970815.db2.gz VPRIQEXFFOIQDO-UHFFFAOYSA-N -1 1 362.288 4.018 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000006646667 1104038553 /nfs/dbraw/zinc/03/85/53/1104038553.db2.gz RLCBGNVFZZOZIQ-UHFFFAOYSA-N -1 1 354.819 4.085 20 5 FIBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540587375 1118131142 /nfs/dbraw/zinc/13/11/42/1118131142.db2.gz CRUONXOUBUBZGY-UHFFFAOYSA-N -1 1 369.764 4.268 20 5 FIBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(F)cc(C(F)(F)F)cc1F ZINC000463672850 1118274533 /nfs/dbraw/zinc/27/45/33/1118274533.db2.gz LZHGIVXOLSPPBB-UHFFFAOYSA-N -1 1 364.201 4.283 20 5 FIBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000918146076 1122566322 /nfs/dbraw/zinc/56/63/22/1122566322.db2.gz NEQHYOAFNJSILA-UHFFFAOYSA-N -1 1 372.377 4.202 20 5 FIBDMM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001212478474 1125289243 /nfs/dbraw/zinc/28/92/43/1125289243.db2.gz YLTDCJDANNHBFS-MRVPVSSYSA-N -1 1 369.270 4.005 20 5 FIBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007428298 210094592 /nfs/dbraw/zinc/09/45/92/210094592.db2.gz GRHNIQJNJZSDHK-UHFFFAOYSA-N -1 1 354.815 4.002 20 5 FIBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C(F)(F)F ZINC000058725416 212013315 /nfs/dbraw/zinc/01/33/15/212013315.db2.gz RSZAGXSOUIJQHL-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000471133459 1079778880 /nfs/dbraw/zinc/77/88/80/1079778880.db2.gz OKQAHGFGEBPHIT-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2scc(-c3ccccc3)c21 ZINC000165037091 1080311547 /nfs/dbraw/zinc/31/15/47/1080311547.db2.gz KZDKFSMHAMINCI-UHFFFAOYSA-N -1 1 355.400 4.288 20 5 FIBDMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1csc([N+](=O)[O-])c1 ZINC000065813607 1083537979 /nfs/dbraw/zinc/53/79/79/1083537979.db2.gz FVPWQLOEIKAGGK-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1C ZINC000014253988 1084380145 /nfs/dbraw/zinc/38/01/45/1084380145.db2.gz JDOQJDYADYHPFQ-UHFFFAOYSA-N -1 1 362.451 4.246 20 5 FIBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000216142017 1094768806 /nfs/dbraw/zinc/76/88/06/1094768806.db2.gz LDHFFBCBINJKDJ-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1cc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)ccc1[N+](=O)[O-] ZINC000436951780 1099470257 /nfs/dbraw/zinc/47/02/57/1099470257.db2.gz RWUQWTTVTNSFAL-UHFFFAOYSA-N -1 1 361.357 4.403 20 5 FIBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000438780658 1100914814 /nfs/dbraw/zinc/91/48/14/1100914814.db2.gz RUTIGEZHKJSYOZ-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000018231961 1103263055 /nfs/dbraw/zinc/26/30/55/1103263055.db2.gz ADPBWBLMTHIRJP-UHFFFAOYSA-N -1 1 372.431 4.088 20 5 FIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000536460204 1105139897 /nfs/dbraw/zinc/13/98/97/1105139897.db2.gz RVEOXGWWPKLTMX-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000006202991 1107079936 /nfs/dbraw/zinc/07/99/36/1107079936.db2.gz HTRFWQQFJWUPBN-UHFFFAOYSA-N -1 1 354.819 4.256 20 5 FIBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000445008728 1108371684 /nfs/dbraw/zinc/37/16/84/1108371684.db2.gz QTPXBWFNOLUXQG-INIZCTEOSA-N -1 1 357.410 4.089 20 5 FIBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Cl)cc1F ZINC000445594145 1108908716 /nfs/dbraw/zinc/90/87/16/1108908716.db2.gz TUULPWBPVIXFPE-UHFFFAOYSA-N -1 1 350.737 4.091 20 5 FIBDMM O=C(c1ccc([O-])cc1)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590083636 1114888211 /nfs/dbraw/zinc/88/82/11/1114888211.db2.gz BCKOTNSWVKMOGY-UHFFFAOYSA-N -1 1 360.797 4.053 20 5 FIBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129713455 1115023889 /nfs/dbraw/zinc/02/38/89/1115023889.db2.gz IESYPIDNLXTNGC-UHFFFAOYSA-N -1 1 360.782 4.019 20 5 FIBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000593736339 1115811749 /nfs/dbraw/zinc/81/17/49/1115811749.db2.gz DUYKAJHZJPTWGD-UHFFFAOYSA-N -1 1 374.824 4.326 20 5 FIBDMM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609531602 1123743663 /nfs/dbraw/zinc/74/36/63/1123743663.db2.gz YDVRHQBNQUCQQJ-UHFFFAOYSA-N -1 1 371.780 4.408 20 5 FIBDMM O=C(Nc1ccc(Br)c2ccccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000317648441 1082796028 /nfs/dbraw/zinc/79/60/28/1082796028.db2.gz BDJUOVNCJIOWEG-UHFFFAOYSA-N -1 1 360.167 4.091 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)sc1Cl ZINC000066960991 1086558926 /nfs/dbraw/zinc/55/89/26/1086558926.db2.gz MZNFCVGSMYIVSQ-UHFFFAOYSA-N -1 1 353.133 4.494 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000474317370 1093673388 /nfs/dbraw/zinc/67/33/88/1093673388.db2.gz MEJPDQHQQMAKOT-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000438777681 1100913051 /nfs/dbraw/zinc/91/30/51/1100913051.db2.gz PPERIVGUHHKGQC-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000466959710 1101942085 /nfs/dbraw/zinc/94/20/85/1101942085.db2.gz MMWICLVLEGGPHJ-UHFFFAOYSA-N -1 1 367.235 4.072 20 5 FIBDMM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000076448061 1118985718 /nfs/dbraw/zinc/98/57/18/1118985718.db2.gz CLKJYYYKMKTMKP-UHFFFAOYSA-N -1 1 360.313 4.403 20 5 FIBDMM COc1cccc(C(=O)[N-]c2cc(Cl)ccc2SC)c1[N+](=O)[O-] ZINC000194150567 1121222386 /nfs/dbraw/zinc/22/23/86/1121222386.db2.gz OSEKNTMDMRHRMQ-UHFFFAOYSA-N -1 1 352.799 4.231 20 5 FIBDMM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)c(C)c1 ZINC000124508341 1121699968 /nfs/dbraw/zinc/69/99/68/1121699968.db2.gz KPIXQLWEMZEMRS-UHFFFAOYSA-N -1 1 372.381 4.122 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000091054680 1122119464 /nfs/dbraw/zinc/11/94/64/1122119464.db2.gz BXTRYEKJKBRTFH-UHFFFAOYSA-N -1 1 356.403 4.166 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000033745402 1122992143 /nfs/dbraw/zinc/99/21/43/1122992143.db2.gz YFKAAMXHIUQGBQ-UHFFFAOYSA-N -1 1 354.819 4.256 20 5 FIBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000128566474 568015906 /nfs/dbraw/zinc/01/59/06/568015906.db2.gz DLRDFVLYQIHGEF-UHFFFAOYSA-N -1 1 368.320 4.484 20 5 FIBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001648850818 1081297809 /nfs/dbraw/zinc/29/78/09/1081297809.db2.gz NYNNQJSTUYLQEX-UHFFFAOYSA-N -1 1 350.371 4.194 20 5 FIBDMM O=[N+]([O-])c1cc(Nc2c(Cl)ccc(Br)c2O)ccc1[O-] ZINC001210398956 1081358306 /nfs/dbraw/zinc/35/83/06/1081358306.db2.gz LKKUGMZZUXUHOD-UHFFFAOYSA-N -1 1 359.563 4.166 20 5 FIBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1C ZINC000433122366 1093273757 /nfs/dbraw/zinc/27/37/57/1093273757.db2.gz QDIBOSAZYFPFJK-UHFFFAOYSA-N -1 1 372.805 4.113 20 5 FIBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1[N+](=O)[O-] ZINC000433177567 1093370283 /nfs/dbraw/zinc/37/02/83/1093370283.db2.gz UUVPFRZKDVWNFG-UHFFFAOYSA-N -1 1 372.805 4.113 20 5 FIBDMM CCC[C@@H](C)C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426823617 1103021252 /nfs/dbraw/zinc/02/12/52/1103021252.db2.gz JSAKCECBGAGUKY-CXAGYDPISA-N -1 1 360.410 4.224 20 5 FIBDMM O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445442303 1108766569 /nfs/dbraw/zinc/76/65/69/1108766569.db2.gz BQINPIXYTPSVGC-UHFFFAOYSA-N -1 1 370.752 4.007 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 ZINC000585731792 1109830630 /nfs/dbraw/zinc/83/06/30/1109830630.db2.gz BABIMHLTGKEEFY-AWEZNQCLSA-N -1 1 372.402 4.222 20 5 FIBDMM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000552759458 1111800096 /nfs/dbraw/zinc/80/00/96/1111800096.db2.gz FBUGCHRVUGQTGH-UHFFFAOYSA-N -1 1 360.732 4.030 20 5 FIBDMM Cc1cc(C)cc(C2=CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000593745152 1115812082 /nfs/dbraw/zinc/81/20/82/1115812082.db2.gz ZYTGANGXHFBGCH-UHFFFAOYSA-N -1 1 366.417 4.199 20 5 FIBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(F)(F)F ZINC000534205774 1116169156 /nfs/dbraw/zinc/16/91/56/1116169156.db2.gz ZWXPAYSLFQZPLX-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c1 ZINC000534925417 1116253060 /nfs/dbraw/zinc/25/30/60/1116253060.db2.gz HYXCPEFVDLIFQV-UHFFFAOYSA-N -1 1 356.712 4.096 20 5 FIBDMM CCOc1ccc(F)c([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1F ZINC000535483915 1116312679 /nfs/dbraw/zinc/31/26/79/1116312679.db2.gz TVFCUBXBXDYNFO-UHFFFAOYSA-N -1 1 368.361 4.246 20 5 FIBDMM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000464156668 1118460689 /nfs/dbraw/zinc/46/06/89/1118460689.db2.gz BQSQBVPNHXHOLO-UHFFFAOYSA-N -1 1 358.741 4.016 20 5 FIBDMM Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000460454254 1118532522 /nfs/dbraw/zinc/53/25/22/1118532522.db2.gz ZSMIOIJOJHFRES-UHFFFAOYSA-N -1 1 371.393 4.497 20 5 FIBDMM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1ccc([O-])c(Cl)c1 ZINC000921265211 1123607106 /nfs/dbraw/zinc/60/71/06/1123607106.db2.gz AXYMYVBCPYTRBC-YCRREMRBSA-N -1 1 351.145 4.100 20 5 FIBDMM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609531080 1123743617 /nfs/dbraw/zinc/74/36/17/1123743617.db2.gz KMWRSSQAAVBWIP-UHFFFAOYSA-N -1 1 366.308 4.123 20 5 FIBDMM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175311188 1079851707 /nfs/dbraw/zinc/85/17/07/1079851707.db2.gz GVBMKOWUVCNOAR-UHFFFAOYSA-N -1 1 364.201 4.283 20 5 FIBDMM Cc1sc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000065085079 1083314437 /nfs/dbraw/zinc/31/44/37/1083314437.db2.gz YHVUSTLKRCYCOT-UHFFFAOYSA-N -1 1 374.447 4.352 20 5 FIBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000005598816 1083869545 /nfs/dbraw/zinc/86/95/45/1083869545.db2.gz COQLWUCCSVOKML-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000613112130 1084361038 /nfs/dbraw/zinc/36/10/38/1084361038.db2.gz QRZAATGRORUVSD-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000006050997 1093575076 /nfs/dbraw/zinc/57/50/76/1093575076.db2.gz FXLXEXBBYMNKNS-UHFFFAOYSA-N -1 1 354.819 4.085 20 5 FIBDMM O=C(Nc1cccc([O-])c1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000129055324 1093773504 /nfs/dbraw/zinc/77/35/04/1093773504.db2.gz PGMCPCUNNSQNGO-UHFFFAOYSA-N -1 1 367.336 4.435 20 5 FIBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000007405674 1095242276 /nfs/dbraw/zinc/24/22/76/1095242276.db2.gz MEMFYYJZMJRDCZ-NSHDSACASA-N -1 1 352.387 4.048 20 5 FIBDMM O=C([N-]c1c(F)cccc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439292727 1101314899 /nfs/dbraw/zinc/31/48/99/1101314899.db2.gz IQUXASJNWZCKIE-UHFFFAOYSA-N -1 1 355.300 4.187 20 5 FIBDMM CC(C)(C)CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426754803 1102970194 /nfs/dbraw/zinc/97/01/94/1102970194.db2.gz UFRURLOIEQLXOR-HNNXBMFYSA-N -1 1 360.410 4.224 20 5 FIBDMM O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2c1 ZINC000445443368 1108768463 /nfs/dbraw/zinc/76/84/63/1108768463.db2.gz GKXRCMMTPGRDDW-UHFFFAOYSA-N -1 1 357.709 4.417 20 5 FIBDMM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(C(F)(F)F)c1 ZINC000445459822 1108793383 /nfs/dbraw/zinc/79/33/83/1108793383.db2.gz HYSHIEUVPSYNRR-UHFFFAOYSA-N -1 1 369.230 4.175 20 5 FIBDMM CSc1cc(Cl)ccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000597896201 1115694382 /nfs/dbraw/zinc/69/43/82/1115694382.db2.gz MYJFGVKOBHZESS-UHFFFAOYSA-N -1 1 354.819 4.069 20 5 FIBDMM CCOc1ccc(F)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1F ZINC000534034787 1116148501 /nfs/dbraw/zinc/14/85/01/1116148501.db2.gz LALKRXKRTDXEFY-UHFFFAOYSA-N -1 1 362.288 4.270 20 5 FIBDMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000915837893 1121122985 /nfs/dbraw/zinc/12/29/85/1121122985.db2.gz OIEPBJLXVFFKSR-UHFFFAOYSA-N -1 1 365.317 4.150 20 5 FIBDMM O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000609913235 1123878752 /nfs/dbraw/zinc/87/87/52/1123878752.db2.gz UQSCLEALHSMVGF-UHFFFAOYSA-N -1 1 361.757 4.186 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccccc2F)n1 ZINC000064781165 1123953691 /nfs/dbraw/zinc/95/36/91/1123953691.db2.gz BYLNTOJBUUUTCN-UHFFFAOYSA-N -1 1 361.329 4.249 20 5 FIBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1csc([N+](=O)[O-])c1 ZINC000178568429 1084955119 /nfs/dbraw/zinc/95/51/19/1084955119.db2.gz WWFUTZKCTUTQCR-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000534941704 1087413021 /nfs/dbraw/zinc/41/30/21/1087413021.db2.gz YWBNBRIPIVXBDE-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1C ZINC000015243676 1092224696 /nfs/dbraw/zinc/22/46/96/1092224696.db2.gz ZMNRDGSEMJVOLR-UHFFFAOYSA-N -1 1 362.451 4.444 20 5 FIBDMM O=C([O-])CC/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000433804548 1094115084 /nfs/dbraw/zinc/11/50/84/1094115084.db2.gz ZLKAGHSZEQSYGD-LUAWRHEFSA-N -1 1 370.386 4.316 20 5 FIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC001212013291 1099376338 /nfs/dbraw/zinc/37/63/38/1099376338.db2.gz QWIWSTAZBURDJD-AWEZNQCLSA-N -1 1 372.874 4.030 20 5 FIBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436871339 1099384906 /nfs/dbraw/zinc/38/49/06/1099384906.db2.gz HDONPWSFSQBGQU-LBPRGKRZSA-N -1 1 357.341 4.226 20 5 FIBDMM CC(C)(C)CC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426740644 1102958107 /nfs/dbraw/zinc/95/81/07/1102958107.db2.gz BTIGWHVFVGZQLL-INIZCTEOSA-N -1 1 360.410 4.224 20 5 FIBDMM O=C([O-])[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000426804653 1103003056 /nfs/dbraw/zinc/00/30/56/1103003056.db2.gz VNRGPYMVTVGVES-MRXNPFEDSA-N -1 1 374.443 4.300 20 5 FIBDMM CCC[C@H](C)C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426823620 1103020876 /nfs/dbraw/zinc/02/08/76/1103020876.db2.gz JSAKCECBGAGUKY-SUMWQHHRSA-N -1 1 360.410 4.224 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000446960059 1109399602 /nfs/dbraw/zinc/39/96/02/1109399602.db2.gz MNPDJCZKCMWUFS-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM CCCCc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000448760174 1109888759 /nfs/dbraw/zinc/88/87/59/1109888759.db2.gz LVQUXIYDZMDGEC-UHFFFAOYSA-N -1 1 374.344 4.060 20 5 FIBDMM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001212162021 1114884729 /nfs/dbraw/zinc/88/47/29/1114884729.db2.gz KEDPCPBLYZVFHI-STQMWFEESA-N -1 1 374.890 4.133 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000590549461 1114945393 /nfs/dbraw/zinc/94/53/93/1114945393.db2.gz HFCCRSGZBDXOLP-UHFFFAOYSA-N -1 1 354.284 4.188 20 5 FIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000175837147 1082116604 /nfs/dbraw/zinc/11/66/04/1082116604.db2.gz MLGQBFDDRADWAQ-UHFFFAOYSA-N -1 1 352.799 4.236 20 5 FIBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109010570 1085579144 /nfs/dbraw/zinc/57/91/44/1085579144.db2.gz WFOSECKOVZQAFW-UHFFFAOYSA-N -1 1 360.782 4.019 20 5 FIBDMM CCOc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(Cl)c1[O-] ZINC000443085696 1092931578 /nfs/dbraw/zinc/93/15/78/1092931578.db2.gz CQZJNDCWKCDAAU-UHFFFAOYSA-N -1 1 361.741 4.070 20 5 FIBDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1C ZINC000007405686 1095242820 /nfs/dbraw/zinc/24/28/20/1095242820.db2.gz UMGWCMJXQFOJPM-UHFFFAOYSA-N -1 1 366.414 4.077 20 5 FIBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC001212013292 1099376882 /nfs/dbraw/zinc/37/68/82/1099376882.db2.gz QWIWSTAZBURDJD-CQSZACIVSA-N -1 1 372.874 4.030 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000426678935 1102924222 /nfs/dbraw/zinc/92/42/22/1102924222.db2.gz SJIZJCLJGRGZMC-INIZCTEOSA-N -1 1 372.402 4.222 20 5 FIBDMM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000127288855 1107897402 /nfs/dbraw/zinc/89/74/02/1107897402.db2.gz UJPFGBOFNJSZSY-UHFFFAOYSA-N -1 1 364.398 4.440 20 5 FIBDMM CSc1cccc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1[N+](=O)[O-] ZINC000597873831 1115691373 /nfs/dbraw/zinc/69/13/73/1115691373.db2.gz WWOLVLVARZMXMX-UHFFFAOYSA-N -1 1 366.468 4.009 20 5 FIBDMM O=C(Nc1ccccc1Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000494148714 1119546908 /nfs/dbraw/zinc/54/69/08/1119546908.db2.gz KHHTWTSXJRQXPA-UHFFFAOYSA-N -1 1 358.304 4.197 20 5 FIBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000542712000 1122313105 /nfs/dbraw/zinc/31/31/05/1122313105.db2.gz OLFKWHOJNAUGMF-UHFFFAOYSA-N -1 1 362.451 4.444 20 5 FIBDMM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C1 ZINC000499172825 1123306739 /nfs/dbraw/zinc/30/67/39/1123306739.db2.gz UWMFFTTUIMPBDC-XJKSGUPXSA-N -1 1 357.410 4.271 20 5 FIBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000007418207 568505468 /nfs/dbraw/zinc/50/54/68/568505468.db2.gz SPMJTYPKVZTRBL-UHFFFAOYSA-N -1 1 368.842 4.481 20 5 FIBDMM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cccc1C(F)(F)F ZINC000471127177 1079759639 /nfs/dbraw/zinc/75/96/39/1079759639.db2.gz JKGGFAHSWJTKQC-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=C([N-]c1nc2c(cccc2C(F)(F)F)s1)c1ccc([N+](=O)[O-])o1 ZINC000120330872 1079967578 /nfs/dbraw/zinc/96/75/78/1079967578.db2.gz HNAMACWVTMYPIU-UHFFFAOYSA-N -1 1 357.269 4.069 20 5 FIBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175764165 1081125413 /nfs/dbraw/zinc/12/54/13/1081125413.db2.gz UGDBTJKSEWFCDE-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000610412077 1081809693 /nfs/dbraw/zinc/80/96/93/1081809693.db2.gz DRKZLYUCJIWFOZ-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625893368 1089950726 /nfs/dbraw/zinc/95/07/26/1089950726.db2.gz HYTTZSYGIDRJTM-UHFFFAOYSA-N -1 1 368.361 4.331 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000426759583 1102973352 /nfs/dbraw/zinc/97/33/52/1102973352.db2.gz NSNCDFGLIUHVCI-HNNXBMFYSA-N -1 1 369.204 4.207 20 5 FIBDMM CCC[C@@H](C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426795793 1102996245 /nfs/dbraw/zinc/99/62/45/1102996245.db2.gz YOOYKMLXSSOSDF-DYVFJYSZSA-N -1 1 360.410 4.224 20 5 FIBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000843772623 1104593158 /nfs/dbraw/zinc/59/31/58/1104593158.db2.gz XSVLCEMECAKQCK-UHFFFAOYSA-N -1 1 364.402 4.194 20 5 FIBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000603969816 1115834761 /nfs/dbraw/zinc/83/47/61/1115834761.db2.gz UMXOQAWRDOSTCM-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604118701 1115850072 /nfs/dbraw/zinc/85/00/72/1115850072.db2.gz DEXXBUSBBQPWJR-UHFFFAOYSA-N -1 1 372.387 4.173 20 5 FIBDMM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000534207638 1116169400 /nfs/dbraw/zinc/16/94/00/1116169400.db2.gz WVHYEZUHIGUSFV-UHFFFAOYSA-N -1 1 368.414 4.371 20 5 FIBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1C(F)(F)F ZINC000916108932 1121416319 /nfs/dbraw/zinc/41/63/19/1121416319.db2.gz CNBWGWORCPIPPV-CMDGGOBGSA-N -1 1 372.324 4.026 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(-c2ccccc2F)s1 ZINC000920277958 1123430847 /nfs/dbraw/zinc/43/08/47/1123430847.db2.gz MLZOQSLUEKCWHA-UHFFFAOYSA-N -1 1 361.329 4.249 20 5 FIBDMM O=C(Nc1c([O-])cccc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609851185 1123859483 /nfs/dbraw/zinc/85/94/83/1123859483.db2.gz QLNFYJBFMSOMHT-UHFFFAOYSA-N -1 1 367.336 4.435 20 5 FIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(F)c1F ZINC000763550674 1125556085 /nfs/dbraw/zinc/55/60/85/1125556085.db2.gz PPKPMXFIVNDDMY-UHFFFAOYSA-N -1 1 372.686 4.120 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000175748975 1079984744 /nfs/dbraw/zinc/98/47/44/1079984744.db2.gz YBPKHIZIAHTJFQ-UHFFFAOYSA-N -1 1 354.819 4.256 20 5 FIBDMM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000610786160 1083506210 /nfs/dbraw/zinc/50/62/10/1083506210.db2.gz NUJXJHMQHHDROS-UHFFFAOYSA-N -1 1 365.227 4.088 20 5 FIBDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071974316 1084483646 /nfs/dbraw/zinc/48/36/46/1084483646.db2.gz CPYKKBQSNDGBNV-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c1 ZINC000549007987 1084488279 /nfs/dbraw/zinc/48/82/79/1084488279.db2.gz ZVLZHSPJYRXYPD-UHFFFAOYSA-N -1 1 370.739 4.486 20 5 FIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000180160248 1084755269 /nfs/dbraw/zinc/75/52/69/1084755269.db2.gz ZFJNIAHTQHMEDL-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc([N+](=O)[O-])ccc1Cl ZINC000109109120 1085588231 /nfs/dbraw/zinc/58/82/31/1085588231.db2.gz WFIMRNNSWKNBJJ-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668621 1085762222 /nfs/dbraw/zinc/76/22/22/1085762222.db2.gz PHSRGOPNJBLHDU-VIFPVBQESA-N -1 1 352.799 4.073 20 5 FIBDMM O=C([O-])C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000585731802 1086674612 /nfs/dbraw/zinc/67/46/12/1086674612.db2.gz CQGJAECKWZUYKS-HNNXBMFYSA-N -1 1 372.402 4.222 20 5 FIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000182134336 1091901456 /nfs/dbraw/zinc/90/14/56/1091901456.db2.gz DFIJPNXTDWKYLP-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000521508170 1092730129 /nfs/dbraw/zinc/73/01/29/1092730129.db2.gz MHPRTEIOONKXAV-UHFFFAOYSA-N -1 1 358.357 4.390 20 5 FIBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C(F)(F)F ZINC000438780288 1100914014 /nfs/dbraw/zinc/91/40/14/1100914014.db2.gz WXQRXFOREQQPBX-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM COc1ccc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c([N+](=O)[O-])c1 ZINC000506621951 1101592712 /nfs/dbraw/zinc/59/27/12/1101592712.db2.gz XWEGETHPBNMTPN-UHFFFAOYSA-N -1 1 373.752 4.164 20 5 FIBDMM CCOc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000445446823 1108772193 /nfs/dbraw/zinc/77/21/93/1108772193.db2.gz NARLXRVKDPORLF-UHFFFAOYSA-N -1 1 361.741 4.070 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccs1 ZINC000585731878 1110333118 /nfs/dbraw/zinc/33/31/18/1110333118.db2.gz YXKHDYUAYYLFLA-OAHLLOKOSA-N -1 1 372.402 4.222 20 5 FIBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028280858 1113901861 /nfs/dbraw/zinc/90/18/61/1113901861.db2.gz CTRBOUVGZDHOMT-UHFFFAOYSA-N -1 1 360.782 4.019 20 5 FIBDMM O=C([O-])c1ccccc1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000591270561 1115052630 /nfs/dbraw/zinc/05/26/30/1115052630.db2.gz QACHLZXJJORMCP-UHFFFAOYSA-N -1 1 374.824 4.326 20 5 FIBDMM O=C(Nc1ccccc1NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000462839648 1117798657 /nfs/dbraw/zinc/79/86/57/1117798657.db2.gz OHCSWQVETMOBDW-UHFFFAOYSA-N -1 1 370.796 4.441 20 5 FIBDMM CSc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000540291112 1117978562 /nfs/dbraw/zinc/97/85/62/1117978562.db2.gz FTCBCESEHLLYAE-UHFFFAOYSA-N -1 1 366.464 4.043 20 5 FIBDMM CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000463526664 1118193396 /nfs/dbraw/zinc/19/33/96/1118193396.db2.gz HCDCVLFBKGJQEP-UHFFFAOYSA-N -1 1 372.855 4.079 20 5 FIBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)c1 ZINC000130692380 1123618367 /nfs/dbraw/zinc/61/83/67/1123618367.db2.gz AEQMXRQGBHFULE-UHFFFAOYSA-N -1 1 372.381 4.122 20 5 FIBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1C ZINC000015243444 220150802 /nfs/dbraw/zinc/15/08/02/220150802.db2.gz BOCCQNGMCCCIBX-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM O=C(c1ccc2ccccc2c1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000436594893 567995994 /nfs/dbraw/zinc/99/59/94/567995994.db2.gz KFHPZNDQACNMDT-UHFFFAOYSA-N -1 1 362.385 4.258 20 5 FIBDMM COc1ccc(CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC001167129712 1080656001 /nfs/dbraw/zinc/65/60/01/1080656001.db2.gz BFEGVDIDQWGTOO-AWEZNQCLSA-N -1 1 356.422 4.110 20 5 FIBDMM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000583110313 1086202899 /nfs/dbraw/zinc/20/28/99/1086202899.db2.gz XWVRPHNVTZPPKD-UHFFFAOYSA-N -1 1 371.780 4.408 20 5 FIBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])cc1Cl ZINC000182156661 1091987965 /nfs/dbraw/zinc/98/79/65/1091987965.db2.gz JLGLBLPCAWDCRV-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM Cc1c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000506591983 1101487364 /nfs/dbraw/zinc/48/73/64/1101487364.db2.gz DYILYFUFZGIYLB-UHFFFAOYSA-N -1 1 368.414 4.371 20 5 FIBDMM CCC[C@H](C)C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426823619 1103021600 /nfs/dbraw/zinc/02/16/00/1103021600.db2.gz JSAKCECBGAGUKY-GUYCJALGSA-N -1 1 360.410 4.224 20 5 FIBDMM CSc1ccc(-c2nsc([N-]C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000440474860 1108005954 /nfs/dbraw/zinc/00/59/54/1108005954.db2.gz RVTWSVGGFOKTET-UHFFFAOYSA-N -1 1 372.431 4.088 20 5 FIBDMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1ccc([N+](=O)[O-])cc1F ZINC000445449878 1108751415 /nfs/dbraw/zinc/75/14/15/1108751415.db2.gz QEWPCOXSYSXTHY-QMMMGPOBSA-N -1 1 363.732 4.295 20 5 FIBDMM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000490653008 1114315788 /nfs/dbraw/zinc/31/57/88/1114315788.db2.gz SHGFXDSYOKTWDK-UHFFFAOYSA-N -1 1 371.780 4.408 20 5 FIBDMM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001212162018 1114884512 /nfs/dbraw/zinc/88/45/12/1114884512.db2.gz KEDPCPBLYZVFHI-OLZOCXBDSA-N -1 1 374.890 4.133 20 5 FIBDMM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604045688 1115845511 /nfs/dbraw/zinc/84/55/11/1115845511.db2.gz DLIAPIHHWAAVEG-UHFFFAOYSA-N -1 1 367.205 4.213 20 5 FIBDMM O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000608962272 1116138417 /nfs/dbraw/zinc/13/84/17/1116138417.db2.gz AYOPRWFSUFKOOP-UHFFFAOYSA-N -1 1 373.372 4.028 20 5 FIBDMM O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000557025163 1123320894 /nfs/dbraw/zinc/32/08/94/1123320894.db2.gz GCQJPYNXACWLLL-UHFFFAOYSA-N -1 1 374.356 4.096 20 5 FIBDMM O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000549551391 1085677069 /nfs/dbraw/zinc/67/70/69/1085677069.db2.gz WBFFCPPTZOLSTF-UHFFFAOYSA-N -1 1 365.393 4.019 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000514071024 1088689654 /nfs/dbraw/zinc/68/96/54/1088689654.db2.gz GDGREUHQSKZFCX-UHFFFAOYSA-N -1 1 360.395 4.348 20 5 FIBDMM CSc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000521297827 1092627811 /nfs/dbraw/zinc/62/78/11/1092627811.db2.gz ADAKYCZGDHRWEA-UHFFFAOYSA-N -1 1 360.420 4.021 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000517249313 1100226391 /nfs/dbraw/zinc/22/63/91/1100226391.db2.gz XGPVAMUVIDONAV-CYBMUJFWSA-N -1 1 369.446 4.290 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000438268947 1100558924 /nfs/dbraw/zinc/55/89/24/1100558924.db2.gz SSEJLPFWHQRAAH-KRWDZBQOSA-N -1 1 372.812 4.167 20 5 FIBDMM CC(C)(C)CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426754804 1102970259 /nfs/dbraw/zinc/97/02/59/1102970259.db2.gz UFRURLOIEQLXOR-OAHLLOKOSA-N -1 1 360.410 4.224 20 5 FIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c1 ZINC000551304394 1103060685 /nfs/dbraw/zinc/06/06/85/1103060685.db2.gz XJIOMMICDGBXNB-UHFFFAOYSA-N -1 1 366.345 4.050 20 5 FIBDMM Cc1c(=O)[n-]c(SCc2csc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000163895429 1114409814 /nfs/dbraw/zinc/40/98/14/1114409814.db2.gz NRMZNRIZFYOROL-UHFFFAOYSA-N -1 1 359.432 4.007 20 5 FIBDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc21 ZINC000460824000 1119064803 /nfs/dbraw/zinc/06/48/03/1119064803.db2.gz MPEONYGZXWQBTF-UHFFFAOYSA-N -1 1 373.434 4.069 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1scnc1C1CCCC1 ZINC000273501296 1124184300 /nfs/dbraw/zinc/18/43/00/1124184300.db2.gz RXLQQROSBGRSQU-UHFFFAOYSA-N -1 1 353.350 4.239 20 5 FIBDMM COc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000510252634 1080908367 /nfs/dbraw/zinc/90/83/67/1080908367.db2.gz BVTCBKRQYUIJFW-UHFFFAOYSA-N -1 1 371.324 4.115 20 5 FIBDMM CCC(CC)c1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000185972302 1095146063 /nfs/dbraw/zinc/14/60/63/1095146063.db2.gz YCIXFRMHQQOAKV-UHFFFAOYSA-N -1 1 366.468 4.324 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000426678936 1102924001 /nfs/dbraw/zinc/92/40/01/1102924001.db2.gz SJIZJCLJGRGZMC-MRXNPFEDSA-N -1 1 372.402 4.222 20 5 FIBDMM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001212162019 1114884713 /nfs/dbraw/zinc/88/47/13/1114884713.db2.gz KEDPCPBLYZVFHI-QWHCGFSZSA-N -1 1 374.890 4.133 20 5 FIBDMM CC(C)(C)c1ccc([N-]C(=O)c2ocnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000602150775 1115683916 /nfs/dbraw/zinc/68/39/16/1115683916.db2.gz JDCVHJRNCMDKIU-UHFFFAOYSA-N -1 1 357.288 4.151 20 5 FIBDMM Cc1ccccc1CNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000542086455 1118783135 /nfs/dbraw/zinc/78/31/35/1118783135.db2.gz PVYGJMVDMZJVBA-UHFFFAOYSA-N -1 1 350.378 4.096 20 5 FIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC000120391619 568261972 /nfs/dbraw/zinc/26/19/72/568261972.db2.gz ZVZFRLMYZNBVTE-UHFFFAOYSA-N -1 1 372.431 4.088 20 5 FIBDMM O=C([N-]c1cc(F)cc(F)c1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570234693 568464836 /nfs/dbraw/zinc/46/48/36/568464836.db2.gz UPEWWUQANRGWQC-UHFFFAOYSA-N -1 1 364.201 4.283 20 5 FIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](Cc1ccccc1)c1cccs1 ZINC000559149622 1082928078 /nfs/dbraw/zinc/92/80/78/1082928078.db2.gz LYLHWISZRKHEGQ-QGZVFWFLSA-N -1 1 354.431 4.436 20 5 FIBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120152963 1088495688 /nfs/dbraw/zinc/49/56/88/1088495688.db2.gz TZSUGVPYWCBKSG-UHFFFAOYSA-N -1 1 366.811 4.081 20 5 FIBDMM O=c1cc(C(F)(F)F)nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000522829110 1095755261 /nfs/dbraw/zinc/75/52/61/1095755261.db2.gz PCIIUWGQFNFVLY-UHFFFAOYSA-N -1 1 365.720 4.055 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccccc2)n1 ZINC000897537799 1099610178 /nfs/dbraw/zinc/61/01/78/1099610178.db2.gz LVAMYSHODBMBQP-UHFFFAOYSA-N -1 1 361.329 4.249 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccsc1 ZINC000426684297 1102919564 /nfs/dbraw/zinc/91/95/64/1102919564.db2.gz ZATUFJLQZCVAHX-MRXNPFEDSA-N -1 1 372.402 4.222 20 5 FIBDMM O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000524023719 1108740477 /nfs/dbraw/zinc/74/04/77/1108740477.db2.gz FXUNRLVLEHEVSK-UHFFFAOYSA-N -1 1 353.382 4.030 20 5 FIBDMM COc1cc(-c2nc3cc4ccccc4cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000193911098 1108797949 /nfs/dbraw/zinc/79/79/49/1108797949.db2.gz UIIHSHLWRZWDDU-UHFFFAOYSA-N -1 1 352.777 4.111 20 5 FIBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478560 1108798549 /nfs/dbraw/zinc/79/85/49/1108798549.db2.gz HFBXITHIYUWYLD-VIFPVBQESA-N -1 1 361.354 4.343 20 5 FIBDMM COc1ccc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cc1 ZINC000609111287 1117983488 /nfs/dbraw/zinc/98/34/88/1117983488.db2.gz NWLYWLADPITRAM-UHFFFAOYSA-N -1 1 369.402 4.335 20 5 FIBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccc2c(c1)CCC2 ZINC000464093129 1118436894 /nfs/dbraw/zinc/43/68/94/1118436894.db2.gz YQCWUUOYSWPVLX-UHFFFAOYSA-N -1 1 368.418 4.096 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000761907560 1120574861 /nfs/dbraw/zinc/57/48/61/1120574861.db2.gz CSRZYSKUOWSDTM-UHFFFAOYSA-N -1 1 361.206 4.011 20 5 FIBDMM O=C(Nc1ccccc1SCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917955157 1122497073 /nfs/dbraw/zinc/49/70/73/1122497073.db2.gz WWNGXCDDMGAAJC-UHFFFAOYSA-N -1 1 353.403 4.468 20 5 FIBDMM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609448033 1123715854 /nfs/dbraw/zinc/71/58/54/1123715854.db2.gz MSZAIZCCTQJXQZ-UHFFFAOYSA-N -1 1 370.796 4.441 20 5 FIBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894238 1090031340 /nfs/dbraw/zinc/03/13/40/1090031340.db2.gz TXUOXHQBDMOTBW-UHFFFAOYSA-N -1 1 368.361 4.333 20 5 FIBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000007405673 1095242227 /nfs/dbraw/zinc/24/22/27/1095242227.db2.gz MEMFYYJZMJRDCZ-LLVKDONJSA-N -1 1 352.387 4.048 20 5 FIBDMM Cc1c(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cccc1[N+](=O)[O-] ZINC000436942328 1099453491 /nfs/dbraw/zinc/45/34/91/1099453491.db2.gz GQAHMGVGWCLREE-UHFFFAOYSA-N -1 1 361.357 4.403 20 5 FIBDMM CC(=O)c1cc(F)c([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000438948306 1101040330 /nfs/dbraw/zinc/04/03/30/1101040330.db2.gz MRDYPXVPNVLWJN-UHFFFAOYSA-N -1 1 368.723 4.290 20 5 FIBDMM O=C([O-])C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000426759584 1102973412 /nfs/dbraw/zinc/97/34/12/1102973412.db2.gz NSNCDFGLIUHVCI-OAHLLOKOSA-N -1 1 369.204 4.207 20 5 FIBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1cccc(Cl)c1F ZINC000445586388 1108891408 /nfs/dbraw/zinc/89/14/08/1108891408.db2.gz ADCZAVJHEFBENO-UHFFFAOYSA-N -1 1 350.737 4.091 20 5 FIBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCC(C)C)s2)c1 ZINC000597870101 1115689092 /nfs/dbraw/zinc/68/90/92/1115689092.db2.gz LMXJOSBXMFBVPO-UHFFFAOYSA-N -1 1 366.468 4.009 20 5 FIBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000539852838 1116393365 /nfs/dbraw/zinc/39/33/65/1116393365.db2.gz VSYDEUXKLQVMAP-UHFFFAOYSA-N -1 1 374.340 4.031 20 5 FIBDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493132839 1119310040 /nfs/dbraw/zinc/31/00/40/1119310040.db2.gz NVHFUJPTDKDGTO-UHFFFAOYSA-N -1 1 362.451 4.444 20 5 FIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(COc2ccc(F)cc2)o1 ZINC000069524883 1124933707 /nfs/dbraw/zinc/93/37/07/1124933707.db2.gz SRRVRRNFJLPPBF-UHFFFAOYSA-N -1 1 374.299 4.297 20 5 FIBDMM COc1ccc(CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC001167129713 1080655475 /nfs/dbraw/zinc/65/54/75/1080655475.db2.gz BFEGVDIDQWGTOO-CQSZACIVSA-N -1 1 356.422 4.110 20 5 FIBDMM Cc1ccc(Sc2nsc([N-]C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000174555007 1084788058 /nfs/dbraw/zinc/78/80/58/1084788058.db2.gz NUBWOBSLAQANAF-UHFFFAOYSA-N -1 1 372.431 4.158 20 5 FIBDMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611790911 1085618358 /nfs/dbraw/zinc/61/83/58/1085618358.db2.gz AUCLDDCLALICDL-UHFFFAOYSA-N -1 1 374.824 4.049 20 5 FIBDMM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000417616393 1090944865 /nfs/dbraw/zinc/94/48/65/1090944865.db2.gz YXGCVLPSSSLAKP-GOSISDBHSA-N -1 1 372.421 4.368 20 5 FIBDMM CCOc1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000515531251 1098669166 /nfs/dbraw/zinc/66/91/66/1098669166.db2.gz LQYNKDNYVWTIHK-UHFFFAOYSA-N -1 1 367.361 4.366 20 5 FIBDMM Cc1cc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)ccc1[N+](=O)[O-] ZINC000436950156 1099444388 /nfs/dbraw/zinc/44/43/88/1099444388.db2.gz MJTATHUBFXNKJM-UHFFFAOYSA-N -1 1 361.357 4.403 20 5 FIBDMM O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc([O-])cc4Cl)no3)c2c1 ZINC000445448018 1108750275 /nfs/dbraw/zinc/75/02/75/1108750275.db2.gz KFFNYPNXZFPMRS-UHFFFAOYSA-N -1 1 356.725 4.152 20 5 FIBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445460896 1108793738 /nfs/dbraw/zinc/79/37/38/1108793738.db2.gz DGDDYUDLVHNHDV-VIFPVBQESA-N -1 1 361.354 4.343 20 5 FIBDMM O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2c1 ZINC000445479238 1108799253 /nfs/dbraw/zinc/79/92/53/1108799253.db2.gz JGEWSMGYEJQFRQ-UHFFFAOYSA-N -1 1 357.322 4.371 20 5 FIBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000446957057 1109398799 /nfs/dbraw/zinc/39/87/99/1109398799.db2.gz KHIYYZGBHVAYOY-UHFFFAOYSA-N -1 1 368.842 4.283 20 5 FIBDMM O=c1cc(C(F)(F)F)nc(SCc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC000488749867 1113989358 /nfs/dbraw/zinc/98/93/58/1113989358.db2.gz SIJIPKKQBINUHC-UHFFFAOYSA-N -1 1 365.720 4.055 20 5 FIBDMM CCCCCc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000460463620 1118542517 /nfs/dbraw/zinc/54/25/17/1118542517.db2.gz UXNNLCQQZVMOTQ-UHFFFAOYSA-N -1 1 368.846 4.393 20 5 FIBDMM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111665966 1119327036 /nfs/dbraw/zinc/32/70/36/1119327036.db2.gz BGTDSTNBMNZUKI-QMMMGPOBSA-N -1 1 371.176 4.013 20 5 FIBDMM CSc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000007746007 1123018418 /nfs/dbraw/zinc/01/84/18/1123018418.db2.gz PELYZDNZXSFXMR-UHFFFAOYSA-N -1 1 372.855 4.079 20 5 FIBDMM