smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000426565214 533793390 /nfs/dbraw/zinc/79/33/90/533793390.db2.gz MJJRZKWTQPQHFY-AWEZNQCLSA-N 1 1 294.351 2.842 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000426565214 533793396 /nfs/dbraw/zinc/79/33/96/533793396.db2.gz MJJRZKWTQPQHFY-AWEZNQCLSA-N 1 1 294.351 2.842 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000426525981 533821323 /nfs/dbraw/zinc/82/13/23/533821323.db2.gz SWYHZUTVVMQOAS-QWHCGFSZSA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)n1 ZINC000413345837 534326166 /nfs/dbraw/zinc/32/61/66/534326166.db2.gz GPQJXDSWXVAOSY-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000305721129 519836096 /nfs/dbraw/zinc/83/60/96/519836096.db2.gz BJUWHHVJRXJDKK-ZDUSSCGKSA-N 1 1 278.352 2.675 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172955784 520644838 /nfs/dbraw/zinc/64/48/38/520644838.db2.gz XGVXKZSRNOYAON-TXEJJXNPSA-N 1 1 276.336 2.561 20 5 CFBDMO CCOc1cc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000360114698 520762285 /nfs/dbraw/zinc/76/22/85/520762285.db2.gz IINMYRBMRKFICH-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000075757158 520860094 /nfs/dbraw/zinc/86/00/94/520860094.db2.gz CWORDBNLUSQFEQ-CYBMUJFWSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000233496251 521658818 /nfs/dbraw/zinc/65/88/18/521658818.db2.gz HZNZLUPGGHORHF-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ncccc2C1 ZINC000366375415 522976487 /nfs/dbraw/zinc/97/64/87/522976487.db2.gz CBBBWPHOSWKXIJ-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ncccc2C1 ZINC000366375415 522976496 /nfs/dbraw/zinc/97/64/96/522976496.db2.gz CBBBWPHOSWKXIJ-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000220301325 523923454 /nfs/dbraw/zinc/92/34/54/523923454.db2.gz GTUPGTPTZBKKLE-NSHDSACASA-N 1 1 281.356 2.746 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000061555336 524037067 /nfs/dbraw/zinc/03/70/67/524037067.db2.gz YAQCLYRFVRAZTR-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068838187 524086360 /nfs/dbraw/zinc/08/63/60/524086360.db2.gz RBNMEEGRZAGYAM-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068838187 524086364 /nfs/dbraw/zinc/08/63/64/524086364.db2.gz RBNMEEGRZAGYAM-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248358401 524290306 /nfs/dbraw/zinc/29/03/06/524290306.db2.gz QSTVUNCGAJUJCI-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361155519 524917662 /nfs/dbraw/zinc/91/76/62/524917662.db2.gz UJNUEFITCQXQMN-RTIZMKJZSA-N 1 1 289.379 2.632 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173493000 524954486 /nfs/dbraw/zinc/95/44/86/524954486.db2.gz NZFJUCVOPVEUMX-LBPRGKRZSA-N 1 1 294.351 2.714 20 5 CFBDMO CC(=O)c1cc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000342087325 534823867 /nfs/dbraw/zinc/82/38/67/534823867.db2.gz BEWCLQXDWODICH-UHFFFAOYSA-N 1 1 279.340 2.550 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000338646560 525451418 /nfs/dbraw/zinc/45/14/18/525451418.db2.gz IGMIZSFNTJTLQN-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO COc1cccc(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312692466 526211696 /nfs/dbraw/zinc/21/16/96/526211696.db2.gz ONQVAGVSDGRHOI-NSHDSACASA-N 1 1 281.356 2.744 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428078030 527364268 /nfs/dbraw/zinc/36/42/68/527364268.db2.gz QKZJZAWXNUTYTQ-GTBONMDNSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364806830 527386564 /nfs/dbraw/zinc/38/65/64/527386564.db2.gz WSTKUFASPCKHPU-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CCCO)CC1 ZINC000360089036 527389688 /nfs/dbraw/zinc/38/96/88/527389688.db2.gz PBLMRNKSRWPFFS-UHFFFAOYSA-N 1 1 296.342 2.718 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000062351277 527394116 /nfs/dbraw/zinc/39/41/16/527394116.db2.gz COCPRXXFTQSDMN-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO CCC[C@H]([NH2+][C@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283829 528240722 /nfs/dbraw/zinc/24/07/22/528240722.db2.gz WJCLEXUBNHUYJE-LSDHHAIUSA-N 1 1 277.368 2.763 20 5 CFBDMO CC[NH2+]CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847520 528332979 /nfs/dbraw/zinc/33/29/79/528332979.db2.gz OWAVEXIBXCIJES-UKRRQHHQSA-N 1 1 291.395 2.505 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413303789 528359145 /nfs/dbraw/zinc/35/91/45/528359145.db2.gz QSXGIINZZVPGJM-JTQLQIEISA-N 1 1 284.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449785927 535224752 /nfs/dbraw/zinc/22/47/52/535224752.db2.gz JYBLRBOZOVYYOI-CQSZACIVSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCC1 ZINC000744410270 574072778 /nfs/dbraw/zinc/07/27/78/574072778.db2.gz YNXRHZITGVFFSO-UHFFFAOYSA-N 1 1 291.351 2.634 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cccn3)CC2)cs1 ZINC000731355448 574117817 /nfs/dbraw/zinc/11/78/17/574117817.db2.gz JVAAUZQEPLXQMB-UHFFFAOYSA-N 1 1 292.364 2.690 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954844 574317762 /nfs/dbraw/zinc/31/77/62/574317762.db2.gz ZRYQDHBQMPRXPK-SNVBAGLBSA-N 1 1 291.355 2.583 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095492 574324025 /nfs/dbraw/zinc/32/40/25/574324025.db2.gz ZCJXVTIHTBZHDM-UKRRQHHQSA-N 1 1 278.352 2.606 20 5 CFBDMO COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752088694 574387929 /nfs/dbraw/zinc/38/79/29/574387929.db2.gz NUMHFVDVVGSMBA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752088694 574387930 /nfs/dbraw/zinc/38/79/30/574387930.db2.gz NUMHFVDVVGSMBA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121251191 617609180 /nfs/dbraw/zinc/60/91/80/617609180.db2.gz WHOAVTNTFUQTGM-LBPRGKRZSA-N 1 1 288.351 2.942 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932348537 617679187 /nfs/dbraw/zinc/67/91/87/617679187.db2.gz GNDHEGYWVXCRIR-NWDGAFQWSA-N 1 1 264.325 2.767 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000891604815 617683852 /nfs/dbraw/zinc/68/38/52/617683852.db2.gz PZVHRIXLZZUHIF-SNVBAGLBSA-N 1 1 282.340 2.785 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000891863079 617791208 /nfs/dbraw/zinc/79/12/08/617791208.db2.gz ULOVEZYERZMWBB-QWRGUYRKSA-N 1 1 294.351 2.929 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933913202 617815113 /nfs/dbraw/zinc/81/51/13/617815113.db2.gz RPCDSLQBNRJAQI-ZDUSSCGKSA-N 1 1 293.392 2.707 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892066274 617934357 /nfs/dbraw/zinc/93/43/57/617934357.db2.gz TUYKISXJSJGUBM-MNOVXSKESA-N 1 1 294.351 2.787 20 5 CFBDMO CC[N@@H+]1[C@H](C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895099535 618291937 /nfs/dbraw/zinc/29/19/37/618291937.db2.gz IUPWSHXPCDYWID-AOOOYVTPSA-N 1 1 298.774 2.562 20 5 CFBDMO CC1=NO[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895427675 618576656 /nfs/dbraw/zinc/57/66/56/618576656.db2.gz CXKDRABMXZKYFT-LLVKDONJSA-N 1 1 283.715 2.503 20 5 CFBDMO C[C@H](N)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516136 618855169 /nfs/dbraw/zinc/85/51/69/618855169.db2.gz VOZQLPZZYGCFQW-GUYCJALGSA-N 1 1 299.374 2.815 20 5 CFBDMO CC[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925540486 618899127 /nfs/dbraw/zinc/89/91/27/618899127.db2.gz CKEMFCYNTDTHFP-SOUVJXGZSA-N 1 1 289.379 2.905 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000930686497 618921973 /nfs/dbraw/zinc/92/19/73/618921973.db2.gz HHUVNRMOUQMXIK-CQSZACIVSA-N 1 1 260.337 2.880 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000930686497 618921977 /nfs/dbraw/zinc/92/19/77/618921977.db2.gz HHUVNRMOUQMXIK-CQSZACIVSA-N 1 1 260.337 2.880 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587262 618932048 /nfs/dbraw/zinc/93/20/48/618932048.db2.gz VPEDVQLJDUGYOS-WDMOLILDSA-N 1 1 264.325 2.501 20 5 CFBDMO COc1cccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2(C)C)c1 ZINC000931688089 619087505 /nfs/dbraw/zinc/08/75/05/619087505.db2.gz CLOQODDXBQFPOF-AWEZNQCLSA-N 1 1 278.352 2.540 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000895572117 619556797 /nfs/dbraw/zinc/55/67/97/619556797.db2.gz SKCSIEYESODLPI-NXEZZACHSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)s1 ZINC000895572117 619556799 /nfs/dbraw/zinc/55/67/99/619556799.db2.gz SKCSIEYESODLPI-NXEZZACHSA-N 1 1 299.421 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738279 619598016 /nfs/dbraw/zinc/59/80/16/619598016.db2.gz UKJPBPJHQJIYFK-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565053 625417230 /nfs/dbraw/zinc/41/72/30/625417230.db2.gz NGIKUIUUUAWWNS-BXUZGUMPSA-N 1 1 278.352 2.891 20 5 CFBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000899870101 620607265 /nfs/dbraw/zinc/60/72/65/620607265.db2.gz DMILCVAZWQNAFJ-UHFFFAOYSA-N 1 1 286.331 2.632 20 5 CFBDMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000899910551 620611963 /nfs/dbraw/zinc/61/19/63/620611963.db2.gz HLRKYGSFIDESCU-GFCCVEGCSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000899910551 620611964 /nfs/dbraw/zinc/61/19/64/620611964.db2.gz HLRKYGSFIDESCU-GFCCVEGCSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1OCCCc1c[nH+]cn1C ZINC000902309140 621028885 /nfs/dbraw/zinc/02/88/85/621028885.db2.gz JEPIUROLQLHPLX-UHFFFAOYSA-N 1 1 275.308 2.648 20 5 CFBDMO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432730 621078266 /nfs/dbraw/zinc/07/82/66/621078266.db2.gz XAMDMSRMMSPFIP-VNHYZAJKSA-N 1 1 291.395 2.819 20 5 CFBDMO CC[C@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902487716 621112674 /nfs/dbraw/zinc/11/26/74/621112674.db2.gz CZBQJKCTSTULNZ-LBPRGKRZSA-N 1 1 292.364 2.874 20 5 CFBDMO C[C@@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287949 621318985 /nfs/dbraw/zinc/31/89/85/621318985.db2.gz UJIRTFZIOFBGBM-BZPMIXESSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287949 621318989 /nfs/dbraw/zinc/31/89/89/621318989.db2.gz UJIRTFZIOFBGBM-BZPMIXESSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411995 621593377 /nfs/dbraw/zinc/59/33/77/621593377.db2.gz YUXCITHDBUVPSA-CMPLNLGQSA-N 1 1 297.786 2.665 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832740174 625503944 /nfs/dbraw/zinc/50/39/44/625503944.db2.gz TWRYBXDNFQYMHM-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000832744524 625505521 /nfs/dbraw/zinc/50/55/21/625505521.db2.gz DWZQMRCWPQKWQI-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000045704820 623013942 /nfs/dbraw/zinc/01/39/42/623013942.db2.gz WXVYMSCTJKTSAH-GFCCVEGCSA-N 1 1 279.384 2.723 20 5 CFBDMO COCC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171832209 623244867 /nfs/dbraw/zinc/24/48/67/623244867.db2.gz VFBPPXSBXZJLHP-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388082 623344910 /nfs/dbraw/zinc/34/49/10/623344910.db2.gz IMYUSFVQJGUGGB-RYUDHWBXSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[C@@]1(C)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173422837 623347998 /nfs/dbraw/zinc/34/79/98/623347998.db2.gz DIULUBMAAJARRK-AWEZNQCLSA-N 1 1 280.372 2.878 20 5 CFBDMO CC[C@@]1(C)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173422837 623348004 /nfs/dbraw/zinc/34/80/04/623348004.db2.gz DIULUBMAAJARRK-AWEZNQCLSA-N 1 1 280.372 2.878 20 5 CFBDMO CC1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173438365 623350509 /nfs/dbraw/zinc/35/05/09/623350509.db2.gz ZTHZFHUCTNCDSQ-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635570 623536186 /nfs/dbraw/zinc/53/61/86/623536186.db2.gz IGBQLNBTBVFSOH-DGCLKSJQSA-N 1 1 298.770 2.841 20 5 CFBDMO COCCC1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826899204 623905092 /nfs/dbraw/zinc/90/50/92/623905092.db2.gz GAKXJJSEPBUKDI-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915208020 623998604 /nfs/dbraw/zinc/99/86/04/623998604.db2.gz BKKYWBVHVMKFEI-NSHDSACASA-N 1 1 276.340 2.878 20 5 CFBDMO CCC[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519948 624021704 /nfs/dbraw/zinc/02/17/04/624021704.db2.gz XIPBXGSRUVULNS-LBPRGKRZSA-N 1 1 297.786 2.822 20 5 CFBDMO CCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519948 624021710 /nfs/dbraw/zinc/02/17/10/624021710.db2.gz XIPBXGSRUVULNS-LBPRGKRZSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721428 624142510 /nfs/dbraw/zinc/14/25/10/624142510.db2.gz HYDVUINRNCTFLW-GXFFZTMASA-N 1 1 297.786 2.821 20 5 CFBDMO C[N@H+]1CCC[C@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC000917476075 624345201 /nfs/dbraw/zinc/34/52/01/624345201.db2.gz FHEXWEQFDQIWSP-JTQLQIEISA-N 1 1 270.329 2.920 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000829121668 624378222 /nfs/dbraw/zinc/37/82/22/624378222.db2.gz VNDMRIKZELEFRM-GFCCVEGCSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000829404309 624431254 /nfs/dbraw/zinc/43/12/54/624431254.db2.gz ZTSBWFNUAWRCGA-SECBINFHSA-N 1 1 279.271 2.605 20 5 CFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000175265690 624942599 /nfs/dbraw/zinc/94/25/99/624942599.db2.gz YKSYFVCBESCUFQ-GXTWGEPZSA-N 1 1 286.335 2.627 20 5 CFBDMO CCc1ncc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000834898485 625914600 /nfs/dbraw/zinc/91/46/00/625914600.db2.gz DSUBZIZVZLORFZ-SECBINFHSA-N 1 1 290.323 2.578 20 5 CFBDMO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923499203 626477482 /nfs/dbraw/zinc/47/74/82/626477482.db2.gz RHHBADVGRISYGJ-QWRGUYRKSA-N 1 1 297.786 2.665 20 5 CFBDMO CCC[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000121346372 626506119 /nfs/dbraw/zinc/50/61/19/626506119.db2.gz GCPQQMCZLBHRLO-ZDUSSCGKSA-N 1 1 280.372 2.878 20 5 CFBDMO CCC[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000121346372 626506120 /nfs/dbraw/zinc/50/61/20/626506120.db2.gz GCPQQMCZLBHRLO-ZDUSSCGKSA-N 1 1 280.372 2.878 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763334107 626980842 /nfs/dbraw/zinc/98/08/42/626980842.db2.gz UXHUGKWEQSDLJC-GFCCVEGCSA-N 1 1 286.335 2.634 20 5 CFBDMO Cc1nn(C[N@H+](C)C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000765037902 627114683 /nfs/dbraw/zinc/11/46/83/627114683.db2.gz PQMLZUZMFQLFFF-UHFFFAOYSA-N 1 1 274.324 2.695 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000765643667 627152573 /nfs/dbraw/zinc/15/25/73/627152573.db2.gz RDYFRJUDMVWPQO-MNOVXSKESA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000771290225 627591029 /nfs/dbraw/zinc/59/10/29/627591029.db2.gz SUTWQZOALRVRLT-ZJUUUORDSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000771290225 627591033 /nfs/dbraw/zinc/59/10/33/627591033.db2.gz SUTWQZOALRVRLT-ZJUUUORDSA-N 1 1 283.759 2.777 20 5 CFBDMO C[N@H+](Cc1ccsc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272256 628125165 /nfs/dbraw/zinc/12/51/65/628125165.db2.gz SDFCGLDFAKXSQP-CQSZACIVSA-N 1 1 292.360 2.822 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273910 628125283 /nfs/dbraw/zinc/12/52/83/628125283.db2.gz BJGFAQLKQSXAPG-RISCZKNCSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277073 628125325 /nfs/dbraw/zinc/12/53/25/628125325.db2.gz NMAQEDLSBOJEAJ-FZMZJTMJSA-N 1 1 280.368 2.995 20 5 CFBDMO CC[C@H](CSC)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605501 628163783 /nfs/dbraw/zinc/16/37/83/628163783.db2.gz LNPRCCLPOLXUSB-OCCSQVGLSA-N 1 1 298.408 2.702 20 5 CFBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCC1 ZINC000777956975 628266980 /nfs/dbraw/zinc/26/69/80/628266980.db2.gz OBQJZANAAHXHRV-UHFFFAOYSA-N 1 1 286.335 2.900 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000778954476 628341122 /nfs/dbraw/zinc/34/11/22/628341122.db2.gz WZOJUKLBZRPWKB-STQMWFEESA-N 1 1 277.368 2.600 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584258 628562225 /nfs/dbraw/zinc/56/22/25/628562225.db2.gz PFATYVNSKWUBNY-SMDDNHRTSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584258 628562229 /nfs/dbraw/zinc/56/22/29/628562229.db2.gz PFATYVNSKWUBNY-SMDDNHRTSA-N 1 1 278.356 2.569 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000782915930 628663673 /nfs/dbraw/zinc/66/36/73/628663673.db2.gz RIKHMMKUDFWGKF-SECBINFHSA-N 1 1 279.271 2.605 20 5 CFBDMO Cc1nn(C[N@@H+](C)C[C@H]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000784006597 628762145 /nfs/dbraw/zinc/76/21/45/628762145.db2.gz AFJSWJLJWLBYFA-ZDUSSCGKSA-N 1 1 278.356 2.654 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000784384751 628812821 /nfs/dbraw/zinc/81/28/21/628812821.db2.gz DTISXGDEUGOJEM-CZUORRHYSA-N 1 1 290.363 2.916 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000784390499 628813332 /nfs/dbraw/zinc/81/33/32/628813332.db2.gz HLWXSAZNIAEKKM-BBRMVZONSA-N 1 1 290.363 2.916 20 5 CFBDMO Cc1nc(F)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000785428411 628882153 /nfs/dbraw/zinc/88/21/53/628882153.db2.gz ZWTGTBBTYGUJJW-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785546593 628893011 /nfs/dbraw/zinc/89/30/11/628893011.db2.gz QRVSWDGCIPEBPQ-JRPNMDOOSA-N 1 1 296.342 2.715 20 5 CFBDMO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591560 629083877 /nfs/dbraw/zinc/08/38/77/629083877.db2.gz IFHVXCNXTVQVJG-LBPRGKRZSA-N 1 1 294.399 2.560 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591560 629083879 /nfs/dbraw/zinc/08/38/79/629083879.db2.gz IFHVXCNXTVQVJG-LBPRGKRZSA-N 1 1 294.399 2.560 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789557777 629166666 /nfs/dbraw/zinc/16/66/66/629166666.db2.gz MMDSMCRDZDIGGZ-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1F ZINC000792925342 629467028 /nfs/dbraw/zinc/46/70/28/629467028.db2.gz JYFOYMLKYQSECU-CYBMUJFWSA-N 1 1 296.342 2.861 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423208 634742708 /nfs/dbraw/zinc/74/27/08/634742708.db2.gz WWHNFBLQWJRXLP-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424972 634742926 /nfs/dbraw/zinc/74/29/26/634742926.db2.gz HTJFIXHWLQHMGN-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744182 629828922 /nfs/dbraw/zinc/82/89/22/629828922.db2.gz LLIJVYQRCCNWDZ-GXTWGEPZSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744182 629828929 /nfs/dbraw/zinc/82/89/29/629828929.db2.gz LLIJVYQRCCNWDZ-GXTWGEPZSA-N 1 1 286.335 2.832 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796315711 629902716 /nfs/dbraw/zinc/90/27/16/629902716.db2.gz KUZZWJMKNIOJIR-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526828 630076988 /nfs/dbraw/zinc/07/69/88/630076988.db2.gz YMBDUPVMBUPQCF-ABAIWWIYSA-N 1 1 276.336 2.526 20 5 CFBDMO CC1=CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797823327 630108825 /nfs/dbraw/zinc/10/88/25/630108825.db2.gz SEURCKKQAYLHOW-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CC1=CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797823327 630108830 /nfs/dbraw/zinc/10/88/30/630108830.db2.gz SEURCKKQAYLHOW-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000801517566 630452358 /nfs/dbraw/zinc/45/23/58/630452358.db2.gz HYIZXCOYXAVUGY-CYBMUJFWSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546371 630456991 /nfs/dbraw/zinc/45/69/91/630456991.db2.gz KSOWMPDWERWFJZ-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)(C)SCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000801938557 630492473 /nfs/dbraw/zinc/49/24/73/630492473.db2.gz GRWDSOLTCYMVBI-UHFFFAOYSA-N 1 1 295.408 2.880 20 5 CFBDMO CC(C)(C)C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840150966 631060982 /nfs/dbraw/zinc/06/09/82/631060982.db2.gz ZVWOLMVGTMFHQZ-NSHDSACASA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840150966 631060988 /nfs/dbraw/zinc/06/09/88/631060988.db2.gz ZVWOLMVGTMFHQZ-NSHDSACASA-N 1 1 266.345 2.507 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000811848638 631632507 /nfs/dbraw/zinc/63/25/07/631632507.db2.gz NAFYHQOHHLZTSX-NSHDSACASA-N 1 1 293.367 2.938 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000812780420 631773669 /nfs/dbraw/zinc/77/36/69/631773669.db2.gz DLTJQKSUAMFMFV-NSHDSACASA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC23CCCC3)cc1 ZINC000844276448 632153034 /nfs/dbraw/zinc/15/30/34/632153034.db2.gz TYFVANVFWURMFP-AWEZNQCLSA-N 1 1 276.336 2.647 20 5 CFBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848521523 633274726 /nfs/dbraw/zinc/27/47/26/633274726.db2.gz UXSCNMQRNDOJHT-CBAPKCEASA-N 1 1 283.715 2.903 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccnc1F ZINC000848549907 633286532 /nfs/dbraw/zinc/28/65/32/633286532.db2.gz XILYEPHAYFFOPH-CYBMUJFWSA-N 1 1 287.294 2.906 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000853604748 635046786 /nfs/dbraw/zinc/04/67/86/635046786.db2.gz HYLROTKOFROJNU-ZDUSSCGKSA-N 1 1 278.356 2.794 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512575 636017664 /nfs/dbraw/zinc/01/76/64/636017664.db2.gz NCYJDEQTLAAUDP-TZMCWYRMSA-N 1 1 286.335 2.627 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512233 636017961 /nfs/dbraw/zinc/01/79/61/636017961.db2.gz MHAHSKNSWUTBFS-JSGCOSHPSA-N 1 1 286.335 2.627 20 5 CFBDMO Nc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000858781996 636345366 /nfs/dbraw/zinc/34/53/66/636345366.db2.gz XIGDDBYELTVYEZ-CYBMUJFWSA-N 1 1 290.367 2.606 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000119017021 637460281 /nfs/dbraw/zinc/46/02/81/637460281.db2.gz VQCDOOHHGVVBJI-CYBMUJFWSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000077446190 650425099 /nfs/dbraw/zinc/42/50/99/650425099.db2.gz PZVSWXJVNCHEOR-CQSZACIVSA-N 1 1 278.356 2.794 20 5 CFBDMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000077446991 650425257 /nfs/dbraw/zinc/42/52/57/650425257.db2.gz RGTRZWWCQNPNBJ-OAHLLOKOSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000077446991 650425259 /nfs/dbraw/zinc/42/52/59/650425259.db2.gz RGTRZWWCQNPNBJ-OAHLLOKOSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000865788060 638574187 /nfs/dbraw/zinc/57/41/87/638574187.db2.gz XOYCPJRHRFBDFI-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000865926094 638661130 /nfs/dbraw/zinc/66/11/30/638661130.db2.gz QJGYEFFMWXUXKB-NSHDSACASA-N 1 1 281.331 2.654 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000865927924 638662682 /nfs/dbraw/zinc/66/26/82/638662682.db2.gz KYXAEKNABOEPJB-CYBMUJFWSA-N 1 1 281.331 2.749 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000865927924 638662688 /nfs/dbraw/zinc/66/26/88/638662688.db2.gz KYXAEKNABOEPJB-CYBMUJFWSA-N 1 1 281.331 2.749 20 5 CFBDMO C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866115090 638743958 /nfs/dbraw/zinc/74/39/58/638743958.db2.gz UYMCKJUVAQOVPL-UHFFFAOYSA-N 1 1 281.331 2.654 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192139 638766597 /nfs/dbraw/zinc/76/65/97/638766597.db2.gz CZQHMOXZMJTXMQ-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192139 638766599 /nfs/dbraw/zinc/76/65/99/638766599.db2.gz CZQHMOXZMJTXMQ-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249595 638779848 /nfs/dbraw/zinc/77/98/48/638779848.db2.gz LWSAMKWRPSLWPN-NEPJUHHUSA-N 1 1 297.374 2.595 20 5 CFBDMO CC[C@H](C[C@H](C)O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000866303989 638792922 /nfs/dbraw/zinc/79/29/22/638792922.db2.gz SJCDBAKYNHVRGJ-WDEREUQCSA-N 1 1 289.335 2.526 20 5 CFBDMO Nc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000866691583 638866394 /nfs/dbraw/zinc/86/63/94/638866394.db2.gz MCCLGFBZVIONHG-UHFFFAOYSA-N 1 1 299.330 2.572 20 5 CFBDMO Nc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000866691583 638866397 /nfs/dbraw/zinc/86/63/97/638866397.db2.gz MCCLGFBZVIONHG-UHFFFAOYSA-N 1 1 299.330 2.572 20 5 CFBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000121748486 638890060 /nfs/dbraw/zinc/89/00/60/638890060.db2.gz NLTKCDCOTLXGBP-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000121748486 638890063 /nfs/dbraw/zinc/89/00/63/638890063.db2.gz NLTKCDCOTLXGBP-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO C[N@H+](CCCCc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000193422475 650651884 /nfs/dbraw/zinc/65/18/84/650651884.db2.gz ONWDJIUFPZXVRB-UHFFFAOYSA-N 1 1 288.351 2.704 20 5 CFBDMO C[N@@H+](CCCCc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000193422475 650651887 /nfs/dbraw/zinc/65/18/87/650651887.db2.gz ONWDJIUFPZXVRB-UHFFFAOYSA-N 1 1 288.351 2.704 20 5 CFBDMO NC(=[NH+]OCc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000871765645 641449104 /nfs/dbraw/zinc/44/91/04/641449104.db2.gz GFVUJFPPNMCICP-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019486 641549949 /nfs/dbraw/zinc/54/99/49/641549949.db2.gz YGXILZJAUQGWJE-NWDGAFQWSA-N 1 1 295.358 2.869 20 5 CFBDMO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019486 641549953 /nfs/dbraw/zinc/54/99/53/641549953.db2.gz YGXILZJAUQGWJE-NWDGAFQWSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039766 641574229 /nfs/dbraw/zinc/57/42/29/641574229.db2.gz GYKVRMZDSPRGMY-NWDGAFQWSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039767 641574687 /nfs/dbraw/zinc/57/46/87/641574687.db2.gz GYKVRMZDSPRGMY-RYUDHWBXSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129601 641657706 /nfs/dbraw/zinc/65/77/06/641657706.db2.gz RSCSXPASFBMBSI-JMSVASOKSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129601 641657709 /nfs/dbraw/zinc/65/77/09/641657709.db2.gz RSCSXPASFBMBSI-JMSVASOKSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129603 641657824 /nfs/dbraw/zinc/65/78/24/641657824.db2.gz RSCSXPASFBMBSI-YWPYICTPSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129603 641657828 /nfs/dbraw/zinc/65/78/28/641657828.db2.gz RSCSXPASFBMBSI-YWPYICTPSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129531 641658112 /nfs/dbraw/zinc/65/81/12/641658112.db2.gz JYKQSUUPYDPFJV-UPJWGTAASA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129531 641658118 /nfs/dbraw/zinc/65/81/18/641658118.db2.gz JYKQSUUPYDPFJV-UPJWGTAASA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780132 641934465 /nfs/dbraw/zinc/93/44/65/641934465.db2.gz JUJYXYSUQBJPKQ-STQMWFEESA-N 1 1 297.305 2.546 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780608 641934676 /nfs/dbraw/zinc/93/46/76/641934676.db2.gz MNDANOIGBSILOG-CHWSQXEVSA-N 1 1 293.342 2.715 20 5 CFBDMO C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000873297328 642128003 /nfs/dbraw/zinc/12/80/03/642128003.db2.gz WJVCEARTPRKKGH-GRYCIOLGSA-N 1 1 263.341 2.515 20 5 CFBDMO Cn1cc(C[N@@H+](C)C2CCCCCCC2)c([N+](=O)[O-])n1 ZINC000876657486 642960915 /nfs/dbraw/zinc/96/09/15/642960915.db2.gz OUHBPPGCHGMXHB-UHFFFAOYSA-N 1 1 280.372 2.873 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000876804936 643016275 /nfs/dbraw/zinc/01/62/75/643016275.db2.gz WKYAPTAGRYUGAL-XJKSGUPXSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000877488988 643305001 /nfs/dbraw/zinc/30/50/01/643305001.db2.gz KCDSWNCLIGZPJV-MRXNPFEDSA-N 1 1 292.379 2.949 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000877594311 643386389 /nfs/dbraw/zinc/38/63/89/643386389.db2.gz FBYXWGBDTXEKND-BXUZGUMPSA-N 1 1 292.379 2.662 20 5 CFBDMO CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000877700191 643463211 /nfs/dbraw/zinc/46/32/11/643463211.db2.gz HTSMNUWSERWLKO-UHFFFAOYSA-N 1 1 297.286 2.827 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719371 643483592 /nfs/dbraw/zinc/48/35/92/643483592.db2.gz ZFEHLVKNJOEECB-BETUJISGSA-N 1 1 258.321 2.993 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877736676 643495992 /nfs/dbraw/zinc/49/59/92/643495992.db2.gz ANAZOCNEWTWFDZ-CHWSQXEVSA-N 1 1 278.377 2.780 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877752416 643529840 /nfs/dbraw/zinc/52/98/40/643529840.db2.gz FKPPYCGXPGEJPO-DYLGSBMWSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245988894 650848453 /nfs/dbraw/zinc/84/84/53/650848453.db2.gz WMXSBEHUJOWNMT-CMPLNLGQSA-N 1 1 288.351 2.941 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877796658 643563227 /nfs/dbraw/zinc/56/32/27/643563227.db2.gz RWNNFRLYCFWOGD-AWEZNQCLSA-N 1 1 292.379 2.886 20 5 CFBDMO CC1(C)CO[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303498 643830525 /nfs/dbraw/zinc/83/05/25/643830525.db2.gz SXFPBHMNHWKDOQ-ZDUSSCGKSA-N 1 1 290.363 2.768 20 5 CFBDMO Cc1conc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565210 643943612 /nfs/dbraw/zinc/94/36/12/643943612.db2.gz GXPQGRIBXNDRRC-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1conc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565210 643943615 /nfs/dbraw/zinc/94/36/15/643943615.db2.gz GXPQGRIBXNDRRC-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1[N+](=O)[O-] ZINC000878698107 643995898 /nfs/dbraw/zinc/99/58/98/643995898.db2.gz AWRCNORNTXRFNL-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317545 644222588 /nfs/dbraw/zinc/22/25/88/644222588.db2.gz FNOVQPKZAXDTNW-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000879322525 644227970 /nfs/dbraw/zinc/22/79/70/644227970.db2.gz WLFSFIMLBBNETE-WCQYABFASA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879559926 644320767 /nfs/dbraw/zinc/32/07/67/644320767.db2.gz TZOUCSMFXQRVSZ-MNOVXSKESA-N 1 1 296.367 2.919 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC000879565928 644327115 /nfs/dbraw/zinc/32/71/15/644327115.db2.gz RLKBERVUSFBGRU-NWDGAFQWSA-N 1 1 296.367 2.919 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880231189 644591807 /nfs/dbraw/zinc/59/18/07/644591807.db2.gz VAPBIOBUZLWBOB-NSHDSACASA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880231964 644591971 /nfs/dbraw/zinc/59/19/71/644591971.db2.gz CGMXWFHPMCRVGW-LBPRGKRZSA-N 1 1 282.315 2.655 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CF)C2)cs1 ZINC000880232782 644593205 /nfs/dbraw/zinc/59/32/05/644593205.db2.gz QHMIQMDFXXNNRN-SECBINFHSA-N 1 1 258.318 2.838 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CF)C2)cs1 ZINC000880232782 644593208 /nfs/dbraw/zinc/59/32/08/644593208.db2.gz QHMIQMDFXXNNRN-SECBINFHSA-N 1 1 258.318 2.838 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232247 644593979 /nfs/dbraw/zinc/59/39/79/644593979.db2.gz JPOZAHZGBIJZFV-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232247 644593981 /nfs/dbraw/zinc/59/39/81/644593981.db2.gz JPOZAHZGBIJZFV-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880233630 644594447 /nfs/dbraw/zinc/59/44/47/644594447.db2.gz YKZBBVMBYSRJON-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC000880233630 644594450 /nfs/dbraw/zinc/59/44/50/644594450.db2.gz YKZBBVMBYSRJON-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1F ZINC000094773700 650963060 /nfs/dbraw/zinc/96/30/60/650963060.db2.gz MGRUQXYBVDEREV-CQSZACIVSA-N 1 1 290.294 2.557 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1F ZINC000094773701 650963375 /nfs/dbraw/zinc/96/33/75/650963375.db2.gz MGRUQXYBVDEREV-AWEZNQCLSA-N 1 1 290.294 2.557 20 5 CFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000885967354 646787782 /nfs/dbraw/zinc/78/77/82/646787782.db2.gz MRJPCXBVGULWOU-LLVKDONJSA-N 1 1 251.330 2.856 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000886002051 646807181 /nfs/dbraw/zinc/80/71/81/646807181.db2.gz PJAYEEMABXGQFX-UHFFFAOYSA-N 1 1 283.331 2.938 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCc2ccccc2C1 ZINC000886002051 646807183 /nfs/dbraw/zinc/80/71/83/646807183.db2.gz PJAYEEMABXGQFX-UHFFFAOYSA-N 1 1 283.331 2.938 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000886123255 646882465 /nfs/dbraw/zinc/88/24/65/646882465.db2.gz VLACGRHFTJDBAH-NSHDSACASA-N 1 1 263.341 2.858 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCc2ccccc2CC1 ZINC000886234813 646933410 /nfs/dbraw/zinc/93/34/10/646933410.db2.gz WXVQABMNJZPJAE-UHFFFAOYSA-N 1 1 297.358 2.981 20 5 CFBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000886251917 646938051 /nfs/dbraw/zinc/93/80/51/646938051.db2.gz ODNMZQZQUHSSSW-UHFFFAOYSA-N 1 1 293.367 2.768 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000886251917 646938054 /nfs/dbraw/zinc/93/80/54/646938054.db2.gz ODNMZQZQUHSSSW-UHFFFAOYSA-N 1 1 293.367 2.768 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000886821376 647152084 /nfs/dbraw/zinc/15/20/84/647152084.db2.gz BOOZUHNQCLJSGU-IUODEOHRSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886836138 647157706 /nfs/dbraw/zinc/15/77/06/647157706.db2.gz VWOJQNNHNPNDQI-IAQYHMDHSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCF ZINC000887140120 647229229 /nfs/dbraw/zinc/22/92/29/647229229.db2.gz QVTXIQDMTJFKML-UHFFFAOYSA-N 1 1 297.330 2.523 20 5 CFBDMO C[C@H]([NH3+])[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496676 647883767 /nfs/dbraw/zinc/88/37/67/647883767.db2.gz RZQBOLATNSNDEL-SUMWQHHRSA-N 1 1 299.374 2.815 20 5 CFBDMO CC1(C)[NH2+]CC[C@H]1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571812 648223077 /nfs/dbraw/zinc/22/30/77/648223077.db2.gz JGMZIQKIOHDBBP-OAHLLOKOSA-N 1 1 291.395 2.648 20 5 CFBDMO CCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000929383871 649042790 /nfs/dbraw/zinc/04/27/90/649042790.db2.gz XNOGBLJJGGQMJN-GFCCVEGCSA-N 1 1 266.341 2.745 20 5 CFBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000929383871 649042793 /nfs/dbraw/zinc/04/27/93/649042793.db2.gz XNOGBLJJGGQMJN-GFCCVEGCSA-N 1 1 266.341 2.745 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000929881914 649144142 /nfs/dbraw/zinc/14/41/42/649144142.db2.gz IFIKSYWCDKSISW-CYBMUJFWSA-N 1 1 273.336 2.624 20 5 CFBDMO CC(C)(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000930232407 649210566 /nfs/dbraw/zinc/21/05/66/649210566.db2.gz CYBCUOJYVILEKB-LBPRGKRZSA-N 1 1 272.295 2.918 20 5 CFBDMO C[C@@H](c1ncccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355201 649236229 /nfs/dbraw/zinc/23/62/29/649236229.db2.gz UZHWIRWQOFYRGA-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@@H](c1ncccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355201 649236232 /nfs/dbraw/zinc/23/62/32/649236232.db2.gz UZHWIRWQOFYRGA-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1F ZINC000930477142 649257093 /nfs/dbraw/zinc/25/70/93/649257093.db2.gz XWGMBNLAWZUXOD-ZETCQYMHSA-N 1 1 291.120 2.516 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCn2cc[nH+]c21 ZINC000931521500 649447305 /nfs/dbraw/zinc/44/73/05/649447305.db2.gz KJHVXBDZLBNQEP-LLVKDONJSA-N 1 1 272.308 2.681 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H]2COC(C)(C)C)c1[N+](=O)[O-] ZINC000932168786 649557359 /nfs/dbraw/zinc/55/73/59/649557359.db2.gz SUDFKDQQGMCNMG-NSHDSACASA-N 1 1 297.355 2.671 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H]2COC(C)(C)C)c1[N+](=O)[O-] ZINC000932168786 649557361 /nfs/dbraw/zinc/55/73/61/649557361.db2.gz SUDFKDQQGMCNMG-NSHDSACASA-N 1 1 297.355 2.671 20 5 CFBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647890 649633980 /nfs/dbraw/zinc/63/39/80/649633980.db2.gz AFDDUBMDJMELHR-DGCLKSJQSA-N 1 1 292.335 2.541 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933212408 649679886 /nfs/dbraw/zinc/67/98/86/649679886.db2.gz GUQCJACJSUSECY-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933212408 649679887 /nfs/dbraw/zinc/67/98/87/649679887.db2.gz GUQCJACJSUSECY-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703527 649715653 /nfs/dbraw/zinc/71/56/53/649715653.db2.gz KRFVSRFVYZQIEC-ZGMNHVEMSA-N 1 1 285.347 2.634 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934304762 649771121 /nfs/dbraw/zinc/77/11/21/649771121.db2.gz XTROJEDVPBQQCR-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000724801456 775109752 /nfs/dbraw/zinc/10/97/52/775109752.db2.gz ZFSSNNNAAHEWGH-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000724801456 775109754 /nfs/dbraw/zinc/10/97/54/775109754.db2.gz ZFSSNNNAAHEWGH-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO CC[N@H+]1CCC[C@@H](OCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185986 775122518 /nfs/dbraw/zinc/12/25/18/775122518.db2.gz VLVMEEUYFQAUPC-CYBMUJFWSA-N 1 1 293.367 2.608 20 5 CFBDMO C[N+](C)(C)CCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224776493 775271582 /nfs/dbraw/zinc/27/15/82/775271582.db2.gz WKNUUUFMJIYPAS-OAHLLOKOSA-N 1 1 297.850 2.637 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000690779874 775344753 /nfs/dbraw/zinc/34/47/53/775344753.db2.gz OZAPWWLTWLOSTP-JQWIXIFHSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000690779880 775345264 /nfs/dbraw/zinc/34/52/64/775345264.db2.gz OZAPWWLTWLOSTP-ZYHUDNBSSA-N 1 1 296.754 2.717 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225710160 775570135 /nfs/dbraw/zinc/57/01/35/775570135.db2.gz HMHZEONXMAISSX-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778022 775590138 /nfs/dbraw/zinc/59/01/38/775590138.db2.gz GKLXWNKJDGDLTR-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO O=[N+]([O-])c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1Cl ZINC001225790018 775594840 /nfs/dbraw/zinc/59/48/40/775594840.db2.gz YGYQJNCITYJNIE-SECBINFHSA-N 1 1 293.710 2.839 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1F ZINC001225797542 775597547 /nfs/dbraw/zinc/59/75/47/775597547.db2.gz WPGFUXDHPUYZJO-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c(F)cccc1[N+](=O)[O-] ZINC001226008888 775665885 /nfs/dbraw/zinc/66/58/85/775665885.db2.gz JAUNEJGIYHNTPC-GNXNZQSNSA-N 1 1 294.326 2.843 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131636 775711833 /nfs/dbraw/zinc/71/18/33/775711833.db2.gz OXCAFICLYHYNNX-JTQLQIEISA-N 1 1 285.731 2.506 20 5 CFBDMO CC(=O)c1ccc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226293694 775770247 /nfs/dbraw/zinc/77/02/47/775770247.db2.gz ZRBLYXKPBRMSOZ-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364719 775791228 /nfs/dbraw/zinc/79/12/28/775791228.db2.gz RZQBQRVRGJDYBB-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001226443356 775824403 /nfs/dbraw/zinc/82/44/03/775824403.db2.gz SNXCDWBOQNDTHI-PJXYFTJBSA-N 1 1 292.335 2.607 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226766146 775955005 /nfs/dbraw/zinc/95/50/05/775955005.db2.gz ZTQIXKPQIAQGDG-GNXNZQSNSA-N 1 1 262.309 2.599 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001226953289 776032512 /nfs/dbraw/zinc/03/25/12/776032512.db2.gz YLKVMEOTQWYYHJ-CYBMUJFWSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227239659 776152861 /nfs/dbraw/zinc/15/28/61/776152861.db2.gz ZPHCWZYXVNSMQE-JTQLQIEISA-N 1 1 291.307 2.599 20 5 CFBDMO C[N@@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155518 776411972 /nfs/dbraw/zinc/41/19/72/776411972.db2.gz WXXFTKCZMLOBRO-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155518 776411977 /nfs/dbraw/zinc/41/19/77/776411977.db2.gz WXXFTKCZMLOBRO-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228756664 776598942 /nfs/dbraw/zinc/59/89/42/776598942.db2.gz PQAMAYZBTODFAX-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934842 776661164 /nfs/dbraw/zinc/66/11/64/776661164.db2.gz WBJDFSZHPRPJES-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001228933777 776662054 /nfs/dbraw/zinc/66/20/54/776662054.db2.gz JZQHQFYFUGGCRB-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005227 776686201 /nfs/dbraw/zinc/68/62/01/776686201.db2.gz FQSPBPVJBFEPJJ-ZDUSSCGKSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(=O)c1cccc(O[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229136996 776730683 /nfs/dbraw/zinc/73/06/83/776730683.db2.gz AVYBIDXJHMPXGN-GFCCVEGCSA-N 1 1 292.335 2.659 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229197054 776749799 /nfs/dbraw/zinc/74/97/99/776749799.db2.gz ADEWQOUPNXEECI-GFCCVEGCSA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229466147 776819706 /nfs/dbraw/zinc/81/97/06/776819706.db2.gz JTCWQNLTPPITJN-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962114 776926447 /nfs/dbraw/zinc/92/64/47/776926447.db2.gz OHJWGPJVWLHCLX-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724636 777052096 /nfs/dbraw/zinc/05/20/96/777052096.db2.gz YTMMOHLZNKZYQM-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230878538 777079917 /nfs/dbraw/zinc/07/99/17/777079917.db2.gz FXQBAMMKXCYKNO-SNVBAGLBSA-N 1 1 299.758 2.895 20 5 CFBDMO O[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219745 777478997 /nfs/dbraw/zinc/47/89/97/777478997.db2.gz UGZFJVLRHYXGDE-MRXNPFEDSA-N 1 1 293.370 2.740 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233597139 778004764 /nfs/dbraw/zinc/00/47/64/778004764.db2.gz IJVAYYFVLKNWID-SECBINFHSA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c([N+](=O)[O-])c(F)c1)C2 ZINC001233751255 778064900 /nfs/dbraw/zinc/06/49/00/778064900.db2.gz RZMKIKHRBWTNCS-MYJAWHEDSA-N 1 1 298.289 2.877 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000710268742 781331132 /nfs/dbraw/zinc/33/11/32/781331132.db2.gz PQQOTRQTCWEVJQ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000710268742 781331142 /nfs/dbraw/zinc/33/11/42/781331142.db2.gz PQQOTRQTCWEVJQ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000594519789 349440043 /nfs/dbraw/zinc/44/00/43/349440043.db2.gz LLUNGPIOVYNTER-CHWSQXEVSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000594519789 349440045 /nfs/dbraw/zinc/44/00/45/349440045.db2.gz LLUNGPIOVYNTER-CHWSQXEVSA-N 1 1 295.408 2.763 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594599424 349457190 /nfs/dbraw/zinc/45/71/90/349457190.db2.gz JSAGKPDFFGSYOA-UONOGXRCSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCC1 ZINC000594739282 349485613 /nfs/dbraw/zinc/48/56/13/349485613.db2.gz SGLUILBZURKKDB-ZDUSSCGKSA-N 1 1 291.395 2.777 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000594713367 349479626 /nfs/dbraw/zinc/47/96/26/349479626.db2.gz DWXAWDFRDSYAAX-AWEZNQCLSA-N 1 1 298.408 2.529 20 5 CFBDMO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594934794 349517675 /nfs/dbraw/zinc/51/76/75/349517675.db2.gz LJMLVHIDCUOLOV-NSHDSACASA-N 1 1 286.335 2.588 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958038 349529248 /nfs/dbraw/zinc/52/92/48/349529248.db2.gz XZNNUBLXQVBGHM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958038 349529253 /nfs/dbraw/zinc/52/92/53/349529253.db2.gz XZNNUBLXQVBGHM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO C[C@H](O)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000595008454 349547307 /nfs/dbraw/zinc/54/73/07/349547307.db2.gz SYSHQXJPZKNTBA-IINYFYTJSA-N 1 1 292.360 2.868 20 5 CFBDMO CCC[N@@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097150 349581360 /nfs/dbraw/zinc/58/13/60/349581360.db2.gz QIIDCTOWZIROGA-SWLSCSKDSA-N 1 1 289.379 2.656 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097150 349581364 /nfs/dbraw/zinc/58/13/64/349581364.db2.gz QIIDCTOWZIROGA-SWLSCSKDSA-N 1 1 289.379 2.656 20 5 CFBDMO CCOCC[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313140 349600202 /nfs/dbraw/zinc/60/02/02/349600202.db2.gz SMMYSSKEEJMCHS-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313140 349600205 /nfs/dbraw/zinc/60/02/05/349600205.db2.gz SMMYSSKEEJMCHS-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO CC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595318439 349601080 /nfs/dbraw/zinc/60/10/80/349601080.db2.gz KXAKMTSSQDGBJJ-NSHDSACASA-N 1 1 267.329 2.903 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342331 349606186 /nfs/dbraw/zinc/60/61/86/349606186.db2.gz AWCVJUKWAAIZAR-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@H+](CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595397667 349616407 /nfs/dbraw/zinc/61/64/07/349616407.db2.gz QHBXLZXTFRMHRY-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595397667 349616409 /nfs/dbraw/zinc/61/64/09/349616409.db2.gz QHBXLZXTFRMHRY-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000595419260 349619908 /nfs/dbraw/zinc/61/99/08/349619908.db2.gz JKQJVUHGUSNEMY-SNVBAGLBSA-N 1 1 291.307 2.751 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595440247 349627066 /nfs/dbraw/zinc/62/70/66/349627066.db2.gz OJAGJGHKLDKQOM-SECBINFHSA-N 1 1 253.302 2.513 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595463036 349635007 /nfs/dbraw/zinc/63/50/07/349635007.db2.gz YFEFQVBHEIPPFK-JTQLQIEISA-N 1 1 284.356 2.919 20 5 CFBDMO CSCCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469922 349637012 /nfs/dbraw/zinc/63/70/12/349637012.db2.gz JTPCCPBLSQAUDH-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595519722 349649509 /nfs/dbraw/zinc/64/95/09/349649509.db2.gz BTVBBLCXINZPMC-IAQYHMDHSA-N 1 1 296.342 2.981 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000595522791 349649774 /nfs/dbraw/zinc/64/97/74/349649774.db2.gz NTYYUXNDQKSJEM-NWJSVONSSA-N 1 1 291.351 2.759 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595523516 349650260 /nfs/dbraw/zinc/65/02/60/349650260.db2.gz RQAWCLDKVVALSL-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595560823 349659788 /nfs/dbraw/zinc/65/97/88/349659788.db2.gz FJAUGDLAPHCBEH-FZMZJTMJSA-N 1 1 276.336 2.978 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000595524763 349651195 /nfs/dbraw/zinc/65/11/95/349651195.db2.gz OWXHHVIDVTXGFB-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000595524763 349651197 /nfs/dbraw/zinc/65/11/97/349651197.db2.gz OWXHHVIDVTXGFB-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595633619 349684095 /nfs/dbraw/zinc/68/40/95/349684095.db2.gz QRDIZEPBZPTIEQ-ZIEJDFEHSA-N 1 1 290.363 2.749 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000125945175 187205595 /nfs/dbraw/zinc/20/55/95/187205595.db2.gz FPXJTWVTZNTVTB-SNVBAGLBSA-N 1 1 267.354 2.566 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679768 349698588 /nfs/dbraw/zinc/69/85/88/349698588.db2.gz XXLOYSNIRIJVRS-JQWIXIFHSA-N 1 1 284.381 2.639 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187538593 529552097 /nfs/dbraw/zinc/55/20/97/529552097.db2.gz ODZSDVYXKKVXBP-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187538593 529552099 /nfs/dbraw/zinc/55/20/99/529552099.db2.gz ODZSDVYXKKVXBP-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595695329 349705672 /nfs/dbraw/zinc/70/56/72/349705672.db2.gz GSLGOCNUEMVJAM-CMPLNLGQSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595695331 349706028 /nfs/dbraw/zinc/70/60/28/349706028.db2.gz GSLGOCNUEMVJAM-PWSUYJOCSA-N 1 1 284.381 2.639 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748465 349722574 /nfs/dbraw/zinc/72/25/74/349722574.db2.gz ZYQLZQBRQSMGNH-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748465 349722577 /nfs/dbraw/zinc/72/25/77/349722577.db2.gz ZYQLZQBRQSMGNH-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808952 349736504 /nfs/dbraw/zinc/73/65/04/349736504.db2.gz POASWPLIDNXQBP-NXEZZACHSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808952 349736509 /nfs/dbraw/zinc/73/65/09/349736509.db2.gz POASWPLIDNXQBP-NXEZZACHSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808953 349736969 /nfs/dbraw/zinc/73/69/69/349736969.db2.gz POASWPLIDNXQBP-UWVGGRQHSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808953 349736971 /nfs/dbraw/zinc/73/69/71/349736971.db2.gz POASWPLIDNXQBP-UWVGGRQHSA-N 1 1 250.273 2.576 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756939 349725633 /nfs/dbraw/zinc/72/56/33/349725633.db2.gz HUWJVQHHSYIPIT-KYOSRNDESA-N 1 1 276.336 2.624 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1=CCSC1 ZINC000595895229 349764286 /nfs/dbraw/zinc/76/42/86/349764286.db2.gz GFXQLXDIEWOWHR-UHFFFAOYSA-N 1 1 294.376 2.579 20 5 CFBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595910224 349766400 /nfs/dbraw/zinc/76/64/00/349766400.db2.gz RTYAHNGTPXCUTI-NSHDSACASA-N 1 1 291.351 2.511 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CC1(C)C ZINC000595909483 349766753 /nfs/dbraw/zinc/76/67/53/349766753.db2.gz ORTUPQUQPIVIHH-SNVBAGLBSA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871967 349758849 /nfs/dbraw/zinc/75/88/49/349758849.db2.gz JFLNFXWICIPOQH-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871967 349758853 /nfs/dbraw/zinc/75/88/53/349758853.db2.gz JFLNFXWICIPOQH-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871972 349759089 /nfs/dbraw/zinc/75/90/89/349759089.db2.gz JFLNFXWICIPOQH-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871972 349759092 /nfs/dbraw/zinc/75/90/92/349759092.db2.gz JFLNFXWICIPOQH-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596049483 349780735 /nfs/dbraw/zinc/78/07/35/349780735.db2.gz IVIOHUHVJJOJIG-SNVBAGLBSA-N 1 1 269.370 2.861 20 5 CFBDMO COc1cc(C[N@H+]2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000595919113 349770112 /nfs/dbraw/zinc/77/01/12/349770112.db2.gz IHFNLXAGZQWDPS-UHFFFAOYSA-N 1 1 262.309 2.588 20 5 CFBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188171053 282222921 /nfs/dbraw/zinc/22/29/21/282222921.db2.gz KZFAJCZNSWCVFY-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000596117491 349797692 /nfs/dbraw/zinc/79/76/92/349797692.db2.gz HLYOOPPOBJNXRZ-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO Cc1cc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])s1 ZINC000596136527 349805013 /nfs/dbraw/zinc/80/50/13/349805013.db2.gz JLZYHTACCIYZOP-UHFFFAOYSA-N 1 1 280.353 2.972 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145948 349808197 /nfs/dbraw/zinc/80/81/97/349808197.db2.gz ITXMTAMSPHWVKZ-WPRPVWTQSA-N 1 1 269.370 2.859 20 5 CFBDMO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596205050 349826629 /nfs/dbraw/zinc/82/66/29/349826629.db2.gz FHUYMIAWHBLMBC-GFCCVEGCSA-N 1 1 283.397 2.741 20 5 CFBDMO CC[C@@H](C)[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596259236 349844971 /nfs/dbraw/zinc/84/49/71/349844971.db2.gz VLIXJZYDWRSGHP-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO CC[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269265 349848097 /nfs/dbraw/zinc/84/80/97/349848097.db2.gz PWTMUQDXESYSOG-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287320 347007422 /nfs/dbraw/zinc/00/74/22/347007422.db2.gz JBLWRKVIUALYIY-GJZGRUSLSA-N 1 1 278.352 2.720 20 5 CFBDMO C[N@@H+]1CC=C(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413231302 530047643 /nfs/dbraw/zinc/04/76/43/530047643.db2.gz SJYARRZXGXNLJA-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000009998256 346225201 /nfs/dbraw/zinc/22/52/01/346225201.db2.gz DRSWUJHOIOYMKJ-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000009998256 346225206 /nfs/dbraw/zinc/22/52/06/346225206.db2.gz DRSWUJHOIOYMKJ-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000065962597 346745036 /nfs/dbraw/zinc/74/50/36/346745036.db2.gz ZYFPXXYTBFXWBY-UHFFFAOYSA-N 1 1 290.323 2.733 20 5 CFBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000066796557 346779596 /nfs/dbraw/zinc/77/95/96/346779596.db2.gz GFSYCQSKHRBRNR-CQSZACIVSA-N 1 1 298.346 2.676 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000076111947 347122506 /nfs/dbraw/zinc/12/25/06/347122506.db2.gz VXENTNOWSDOWKR-PHIMTYICSA-N 1 1 264.325 2.691 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000078455748 347253707 /nfs/dbraw/zinc/25/37/07/347253707.db2.gz YLIIPLSBGNXOBU-LLVKDONJSA-N 1 1 283.397 2.967 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078583623 347263565 /nfs/dbraw/zinc/26/35/65/347263565.db2.gz JGLHRQDYEZPPOT-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660445 347268467 /nfs/dbraw/zinc/26/84/67/347268467.db2.gz USXHNJIHSCXBBD-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1cnc(N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078669904 347269007 /nfs/dbraw/zinc/26/90/07/347269007.db2.gz RJFAHBDTLYYZMN-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO Cc1[nH+]c2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2n1C ZINC000078674635 347269733 /nfs/dbraw/zinc/26/97/33/347269733.db2.gz ZJZAEBWNYAZGDX-UHFFFAOYSA-N 1 1 283.291 2.929 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078868187 347277217 /nfs/dbraw/zinc/27/72/17/347277217.db2.gz ZWKZKKSYWLMGBF-LBPRGKRZSA-N 1 1 293.367 2.678 20 5 CFBDMO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000092856064 347649333 /nfs/dbraw/zinc/64/93/33/347649333.db2.gz YZCACIGCTJNCOY-LLVKDONJSA-N 1 1 288.351 2.742 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103470148 347723043 /nfs/dbraw/zinc/72/30/43/347723043.db2.gz OBMXYLSAHGURDJ-SECBINFHSA-N 1 1 252.289 2.964 20 5 CFBDMO CCOc1cc(N[C@@H]2CCC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000111047623 347752068 /nfs/dbraw/zinc/75/20/68/347752068.db2.gz QHMAKNAGGKYNCO-CYBMUJFWSA-N 1 1 293.367 2.890 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000171971851 348084612 /nfs/dbraw/zinc/08/46/12/348084612.db2.gz SDKZDCVMYNZCLU-UHFFFAOYSA-N 1 1 292.335 2.693 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184232764 348127262 /nfs/dbraw/zinc/12/72/62/348127262.db2.gz BSZLSCVLKPBEQK-VIFPVBQESA-N 1 1 282.315 2.973 20 5 CFBDMO Cc1[nH+]ccn1CCCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000273339706 192119228 /nfs/dbraw/zinc/11/92/28/192119228.db2.gz WJJRHVMNVXZTRL-UHFFFAOYSA-N 1 1 286.335 2.553 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000252006923 348294603 /nfs/dbraw/zinc/29/46/03/348294603.db2.gz PJMINGMCHJCHFT-SNVBAGLBSA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000255127506 348302968 /nfs/dbraw/zinc/30/29/68/348302968.db2.gz IMURSSXPSDOOMI-OICCZTGUSA-N 1 1 288.347 2.720 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000320036050 348435271 /nfs/dbraw/zinc/43/52/71/348435271.db2.gz CCQBWEAFCUFJJD-LBPRGKRZSA-N 1 1 295.358 2.650 20 5 CFBDMO COc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1C ZINC000314663893 348426998 /nfs/dbraw/zinc/42/69/98/348426998.db2.gz PAZQXHDVIASTDV-LBPRGKRZSA-N 1 1 293.367 2.666 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000273408218 192141248 /nfs/dbraw/zinc/14/12/48/192141248.db2.gz NXWRDKKRARYFBL-AWEZNQCLSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000273408218 192141250 /nfs/dbraw/zinc/14/12/50/192141250.db2.gz NXWRDKKRARYFBL-AWEZNQCLSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000273409260 192141365 /nfs/dbraw/zinc/14/13/65/192141365.db2.gz HNYBSFARKNPFOF-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c(Cl)c1 ZINC000588067641 348769840 /nfs/dbraw/zinc/76/98/40/348769840.db2.gz FTWIAUPFKMAKLD-VIFPVBQESA-N 1 1 292.726 2.872 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000588866370 348799624 /nfs/dbraw/zinc/79/96/24/348799624.db2.gz QFEIKFKTSDYAHK-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000589501620 348836309 /nfs/dbraw/zinc/83/63/09/348836309.db2.gz TUKWAWOHPCIQAL-MNOVXSKESA-N 1 1 292.335 2.612 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccsc3[N+](=O)[O-])C2)C1 ZINC000590141958 348877481 /nfs/dbraw/zinc/87/74/81/348877481.db2.gz ZKFRBFGSJVUMAA-ZDUSSCGKSA-N 1 1 281.381 2.578 20 5 CFBDMO CC(F)(F)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000590260909 348888052 /nfs/dbraw/zinc/88/80/52/348888052.db2.gz WWTSCPPCPIZZHR-VHSXEESVSA-N 1 1 288.298 2.520 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972130 348975742 /nfs/dbraw/zinc/97/57/42/348975742.db2.gz FGULUQRWYPDUKH-HIFRSBDPSA-N 1 1 276.336 2.514 20 5 CFBDMO Cn1c[nH+]cc1CCSc1ccc([N+](=O)[O-])cc1F ZINC000591128909 348990980 /nfs/dbraw/zinc/99/09/80/348990980.db2.gz OEPOSDFOTQSSEC-UHFFFAOYSA-N 1 1 281.312 2.802 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000592120685 349086120 /nfs/dbraw/zinc/08/61/20/349086120.db2.gz JZWGMXDHVQRBSR-HNNXBMFYSA-N 1 1 292.379 2.886 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C(C)C)C2CC2)c1 ZINC000592997428 349182864 /nfs/dbraw/zinc/18/28/64/349182864.db2.gz AIQXRBBFFKJJSK-UHFFFAOYSA-N 1 1 292.335 2.754 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090672 349207019 /nfs/dbraw/zinc/20/70/19/349207019.db2.gz CDNWEZWAXAQKQY-LBPRGKRZSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090672 349207023 /nfs/dbraw/zinc/20/70/23/349207023.db2.gz CDNWEZWAXAQKQY-LBPRGKRZSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414589532 233298403 /nfs/dbraw/zinc/29/84/03/233298403.db2.gz WZPYWCYHFRBKIL-DKIZZRPMSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1nccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598640893 350299987 /nfs/dbraw/zinc/29/99/87/350299987.db2.gz PBNWEQPRUBLCCW-JTQLQIEISA-N 1 1 272.308 2.544 20 5 CFBDMO CN1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962105 350349785 /nfs/dbraw/zinc/34/97/85/350349785.db2.gz RXIDHZPZHALECU-CQSZACIVSA-N 1 1 291.395 2.600 20 5 CFBDMO C[N@@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599026761 350360937 /nfs/dbraw/zinc/36/09/37/350360937.db2.gz FNXYKGBGJNBEHZ-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071825 350370507 /nfs/dbraw/zinc/37/05/07/350370507.db2.gz UKTBSNGFTDWCMY-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000599141082 350383704 /nfs/dbraw/zinc/38/37/04/350383704.db2.gz ZLEFWWVJSJRDSN-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1Cc2ccccc2C1 ZINC000106303376 186107363 /nfs/dbraw/zinc/10/73/63/186107363.db2.gz JALAPLMKXCKOTJ-UHFFFAOYSA-N 1 1 284.315 2.989 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cnccn1 ZINC000271374777 191104659 /nfs/dbraw/zinc/10/46/59/191104659.db2.gz SBZPPVRVOUEWMN-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000600189678 350535804 /nfs/dbraw/zinc/53/58/04/350535804.db2.gz JANPLWCTNUZKAE-ALCCZGGFSA-N 1 1 276.336 2.576 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108078435 186203223 /nfs/dbraw/zinc/20/32/23/186203223.db2.gz MPEBGUSYBPTCJY-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO COc1cc(Cn2cc(C)[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000601081040 350662432 /nfs/dbraw/zinc/66/24/32/350662432.db2.gz SEYKMACVPPQFJS-UHFFFAOYSA-N 1 1 279.271 2.604 20 5 CFBDMO C[C@H]([NH3+])C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000110651293 186311559 /nfs/dbraw/zinc/31/15/59/186311559.db2.gz PMKKFJVGJOAIAG-JTQLQIEISA-N 1 1 297.786 2.807 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@]4(CCOC4)C3)c2c1 ZINC000601129262 350676917 /nfs/dbraw/zinc/67/69/17/350676917.db2.gz OUGJRWBIFAECKN-MRXNPFEDSA-N 1 1 299.330 2.760 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000601173851 350688693 /nfs/dbraw/zinc/68/86/93/350688693.db2.gz 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ZINC000602440120 350884091 /nfs/dbraw/zinc/88/40/91/350884091.db2.gz ODTXWNDHODUWGY-AWEZNQCLSA-N 1 1 292.383 2.873 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C1CC1)C1CCCCC1 ZINC000602762404 351016916 /nfs/dbraw/zinc/01/69/16/351016916.db2.gz IBTRHIOBJAXNHF-UHFFFAOYSA-N 1 1 292.383 2.897 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000602821274 351038071 /nfs/dbraw/zinc/03/80/71/351038071.db2.gz OIGVDBKBBWOCBA-ZDUSSCGKSA-N 1 1 294.399 2.858 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000602831964 351039913 /nfs/dbraw/zinc/03/99/13/351039913.db2.gz MVTGPTRHNQZFLK-QWHCGFSZSA-N 1 1 292.383 2.610 20 5 CFBDMO CCCC[C@@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602835405 351041057 /nfs/dbraw/zinc/04/10/57/351041057.db2.gz AVJUTCKZLXZFMV-LLVKDONJSA-N 1 1 268.361 2.610 20 5 CFBDMO Cn1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846939 351044212 /nfs/dbraw/zinc/04/42/12/351044212.db2.gz UEUSICZIYJBJST-STQMWFEESA-N 1 1 294.399 2.975 20 5 CFBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602898443 351060259 /nfs/dbraw/zinc/06/02/59/351060259.db2.gz FBZUZEWSDKSDQF-DGCLKSJQSA-N 1 1 280.372 2.610 20 5 CFBDMO CC[C@]1(O)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982245 351083663 /nfs/dbraw/zinc/08/36/63/351083663.db2.gz PMTSZOUVKJCMDI-DOMZBBRYSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997665 351088055 /nfs/dbraw/zinc/08/80/55/351088055.db2.gz OPTZLXAQQMBLEN-JYJNAYRXSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000602999346 351089457 /nfs/dbraw/zinc/08/94/57/351089457.db2.gz FDAVUNQWULSBDL-AWEZNQCLSA-N 1 1 292.383 2.694 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609258339 351493991 /nfs/dbraw/zinc/49/39/91/351493991.db2.gz SWMNFVODLGLEGN-OAHLLOKOSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384335 351499881 /nfs/dbraw/zinc/49/98/81/351499881.db2.gz KMIYOWGTGNVIGG-LBPRGKRZSA-N 1 1 279.315 2.630 20 5 CFBDMO CCOC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609144465 351487966 /nfs/dbraw/zinc/48/79/66/351487966.db2.gz URJPSAKLZXHKNH-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157291 351489913 /nfs/dbraw/zinc/48/99/13/351489913.db2.gz BGTVGNLOCMJZRB-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609204248 351492036 /nfs/dbraw/zinc/49/20/36/351492036.db2.gz YRUMHMALACOPFF-STQMWFEESA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN(C)C ZINC000610560148 351582491 /nfs/dbraw/zinc/58/24/91/351582491.db2.gz HMGIHSFIFIALST-UHFFFAOYSA-N 1 1 293.411 2.657 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccc1C ZINC000610681748 351592572 /nfs/dbraw/zinc/59/25/72/351592572.db2.gz OUKIYRFZDQLMPN-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000610762796 351605458 /nfs/dbraw/zinc/60/54/58/351605458.db2.gz WXXRSLIFLIRATH-NWDGAFQWSA-N 1 1 262.309 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000611133197 351643603 /nfs/dbraw/zinc/64/36/03/351643603.db2.gz FQDZFRIGLQTTAJ-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO Cc1cn(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)[nH+]1 ZINC000611165018 351646241 /nfs/dbraw/zinc/64/62/41/351646241.db2.gz TUAVLPYYSGBUBC-UHFFFAOYSA-N 1 1 299.290 2.506 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000611268942 351660915 /nfs/dbraw/zinc/66/09/15/351660915.db2.gz MNEDTTITFIWKQS-ZBKLQPJUSA-N 1 1 290.363 2.702 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000611370316 351675397 /nfs/dbraw/zinc/67/53/97/351675397.db2.gz XXJFZEPGZAAANI-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611578775 351711562 /nfs/dbraw/zinc/71/15/62/351711562.db2.gz RZPITYZQNPNICW-GFCCVEGCSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611578775 351711566 /nfs/dbraw/zinc/71/15/66/351711566.db2.gz RZPITYZQNPNICW-GFCCVEGCSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(CCC3)C2)c1 ZINC000123404778 187090270 /nfs/dbraw/zinc/09/02/70/187090270.db2.gz FXTOWQCVDUFUAX-UHFFFAOYSA-N 1 1 276.336 2.850 20 5 CFBDMO CC(C)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123550753 187097951 /nfs/dbraw/zinc/09/79/51/187097951.db2.gz XNTAAAPJWOCPKI-ZDUSSCGKSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[N@@H+](CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615833537 352247614 /nfs/dbraw/zinc/24/76/14/352247614.db2.gz YQHSZCTYPSAVDL-JLHYYAGUSA-N 1 1 278.352 2.966 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000619531000 353033408 /nfs/dbraw/zinc/03/34/08/353033408.db2.gz LKWHGXARJHMNKK-SNVBAGLBSA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+](CCCCCO)C2CC2)c1 ZINC000153285722 188074221 /nfs/dbraw/zinc/07/42/21/188074221.db2.gz ZPRCPFYQHGCXOL-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292404154 198274924 /nfs/dbraw/zinc/27/49/24/198274924.db2.gz LLKLGCIRVGGSFN-SECBINFHSA-N 1 1 261.281 2.720 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292404154 198274926 /nfs/dbraw/zinc/27/49/26/198274926.db2.gz LLKLGCIRVGGSFN-SECBINFHSA-N 1 1 261.281 2.720 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000007049192 539988689 /nfs/dbraw/zinc/98/86/89/539988689.db2.gz HBTBRDFFNWXQKY-PHIMTYICSA-N 1 1 288.351 2.949 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000157729986 188335217 /nfs/dbraw/zinc/33/52/17/188335217.db2.gz VFBPFFNKAFWCFT-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273002903 192013797 /nfs/dbraw/zinc/01/37/97/192013797.db2.gz RJZVSFNZNVZGOJ-SNVBAGLBSA-N 1 1 279.315 2.796 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000296244412 199829107 /nfs/dbraw/zinc/82/91/07/199829107.db2.gz NNZJRKAKBBZVFR-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000296244412 199829109 /nfs/dbraw/zinc/82/91/09/199829109.db2.gz NNZJRKAKBBZVFR-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177423865 189050182 /nfs/dbraw/zinc/05/01/82/189050182.db2.gz WMZOCYKMPRBGOL-IAQYHMDHSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177913641 189078914 /nfs/dbraw/zinc/07/89/14/189078914.db2.gz IOQPZPPMZSYDFQ-UTUOFQBUSA-N 1 1 291.351 2.652 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+][C@@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000423260222 238317236 /nfs/dbraw/zinc/31/72/36/238317236.db2.gz GZHRGHNTUMMYEX-GXTWGEPZSA-N 1 1 279.384 2.927 20 5 CFBDMO Cc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301414665 201000578 /nfs/dbraw/zinc/00/05/78/201000578.db2.gz BBAXXLWWWBPLCB-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000182127093 189314508 /nfs/dbraw/zinc/31/45/08/189314508.db2.gz RZWJGXWQWQGEIL-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H](C)C1 ZINC000183327213 189354867 /nfs/dbraw/zinc/35/48/67/189354867.db2.gz VXUMPXWCOYECGY-GFCCVEGCSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1ccsc1NCCc1cn2c([nH+]1)CCCC2 ZINC000302008071 201297528 /nfs/dbraw/zinc/29/75/28/201297528.db2.gz WSZZKARBUSHWTM-UHFFFAOYSA-N 1 1 292.364 2.844 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433295977 240140258 /nfs/dbraw/zinc/14/02/58/240140258.db2.gz GMIODZUDFWVOJV-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435394665 240311874 /nfs/dbraw/zinc/31/18/74/240311874.db2.gz ONFCHPQFHMKNDP-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCCCO ZINC000435049312 240287049 /nfs/dbraw/zinc/28/70/49/240287049.db2.gz FICRYRNCEOFAQA-CLFYSBASSA-N 1 1 278.352 2.702 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275470380 193050739 /nfs/dbraw/zinc/05/07/39/193050739.db2.gz LVMKVRYUGXAHQJ-UHFFFAOYSA-N 1 1 297.330 2.794 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000443693514 241084553 /nfs/dbraw/zinc/08/45/53/241084553.db2.gz MYEIDPIDBQTXJI-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000446715863 241315360 /nfs/dbraw/zinc/31/53/60/241315360.db2.gz FPCOAGHQDHSKSW-ZDUSSCGKSA-N 1 1 278.352 2.952 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000449575747 242042847 /nfs/dbraw/zinc/04/28/47/242042847.db2.gz YRXWYSPMNADQNY-AAEUAGOBSA-N 1 1 286.335 2.895 20 5 CFBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635644 242084746 /nfs/dbraw/zinc/08/47/46/242084746.db2.gz UZYZIUQVBWUVMU-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449550314 242021143 /nfs/dbraw/zinc/02/11/43/242021143.db2.gz CONCDCDAVOYTAQ-YCPHGPKFSA-N 1 1 290.363 2.578 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688877 242108539 /nfs/dbraw/zinc/10/85/39/242108539.db2.gz WQKAINOIGQATSD-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449781225 242157100 /nfs/dbraw/zinc/15/71/00/242157100.db2.gz WNGDSXYCBRDPOP-PAQXCSQUSA-N 1 1 290.363 2.701 20 5 CFBDMO CCC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551327 242885101 /nfs/dbraw/zinc/88/51/01/242885101.db2.gz UHBQVZHGIOHAAQ-ZBFHGGJFSA-N 1 1 292.379 2.935 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452097014 243045414 /nfs/dbraw/zinc/04/54/14/243045414.db2.gz YRLIAZPGWUWIIS-OAHLLOKOSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459471956 245190552 /nfs/dbraw/zinc/19/05/52/245190552.db2.gz WELNLEGOUDCYPV-UHFFFAOYSA-N 1 1 284.319 2.552 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459801086 245335241 /nfs/dbraw/zinc/33/52/41/245335241.db2.gz XDNMAJVMLBNLKI-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955198 245374541 /nfs/dbraw/zinc/37/45/41/245374541.db2.gz FCTKBMRVYYQCIB-PWSUYJOCSA-N 1 1 281.331 2.937 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000003538842 371807671 /nfs/dbraw/zinc/80/76/71/371807671.db2.gz GNRWLIYGJLSOHE-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000003538842 371807676 /nfs/dbraw/zinc/80/76/76/371807676.db2.gz GNRWLIYGJLSOHE-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644208 372682210 /nfs/dbraw/zinc/68/22/10/372682210.db2.gz KKBHGOHJJUPVDV-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644208 372682218 /nfs/dbraw/zinc/68/22/18/372682218.db2.gz KKBHGOHJJUPVDV-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649076 372683701 /nfs/dbraw/zinc/68/37/01/372683701.db2.gz RLMAZQJYXUPRKH-CHWSQXEVSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649076 372683712 /nfs/dbraw/zinc/68/37/12/372683712.db2.gz RLMAZQJYXUPRKH-CHWSQXEVSA-N 1 1 289.379 2.730 20 5 CFBDMO Cc1ncc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000040997849 372802779 /nfs/dbraw/zinc/80/27/79/372802779.db2.gz WSGMRCJHPNHNRG-UHFFFAOYSA-N 1 1 269.351 2.711 20 5 CFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000042123119 372874752 /nfs/dbraw/zinc/87/47/52/372874752.db2.gz AGCPKQOFYYSGQP-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO CC(C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442740 373297767 /nfs/dbraw/zinc/29/77/67/373297767.db2.gz ZFAXHQLTHDKGEL-UHFFFAOYSA-N 1 1 279.340 2.511 20 5 CFBDMO CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000049480640 373303493 /nfs/dbraw/zinc/30/34/93/373303493.db2.gz HEBADEYZNJCZLF-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)C2CCCCC2)c1 ZINC000049854711 373323770 /nfs/dbraw/zinc/32/37/70/373323770.db2.gz OXNVNQXOCYUDMI-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CCc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000050015626 373341007 /nfs/dbraw/zinc/34/10/07/373341007.db2.gz UHUANYFHIIITEZ-UHFFFAOYSA-N 1 1 277.349 2.904 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184886 373467773 /nfs/dbraw/zinc/46/77/73/373467773.db2.gz MHUVCNHNXQROLJ-LLVKDONJSA-N 1 1 291.351 2.572 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053363826 373475778 /nfs/dbraw/zinc/47/57/78/373475778.db2.gz YHQDMKOCRVPOCT-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062351302 373759233 /nfs/dbraw/zinc/75/92/33/373759233.db2.gz YCGXHEFKXBYDDT-OAHLLOKOSA-N 1 1 278.352 2.893 20 5 CFBDMO C[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064634840 373831945 /nfs/dbraw/zinc/83/19/45/373831945.db2.gz NVEKKODIUCZSMS-UHFFFAOYSA-N 1 1 262.231 2.979 20 5 CFBDMO C[N@@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064634840 373831954 /nfs/dbraw/zinc/83/19/54/373831954.db2.gz NVEKKODIUCZSMS-UHFFFAOYSA-N 1 1 262.231 2.979 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000065208774 373848637 /nfs/dbraw/zinc/84/86/37/373848637.db2.gz SZFUNKPIOBKMEM-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000065961438 373906456 /nfs/dbraw/zinc/90/64/56/373906456.db2.gz CFKRKJJCUJWUHX-UHFFFAOYSA-N 1 1 290.323 2.733 20 5 CFBDMO CC(C)[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069081738 374045752 /nfs/dbraw/zinc/04/57/52/374045752.db2.gz ZNVGFOQFLKLKNM-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO Cc1ccnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070495796 374188061 /nfs/dbraw/zinc/18/80/61/374188061.db2.gz RXEJUTQZIZTYDO-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976518 374310657 /nfs/dbraw/zinc/31/06/57/374310657.db2.gz YXLLRNMKMYKQGA-AWEZNQCLSA-N 1 1 278.352 2.843 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076015268 374521826 /nfs/dbraw/zinc/52/18/26/374521826.db2.gz DEOYSSUMYVHYRF-UHFFFAOYSA-N 1 1 292.335 2.693 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536298 383703829 /nfs/dbraw/zinc/70/38/29/383703829.db2.gz CMAOIDZVIBURGA-SWLSCSKDSA-N 1 1 291.395 2.902 20 5 CFBDMO CCc1cc(NCc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000088760344 374861730 /nfs/dbraw/zinc/86/17/30/374861730.db2.gz UOGZFEONIMMRDH-UHFFFAOYSA-N 1 1 272.308 2.868 20 5 CFBDMO COc1ccc(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000089980204 374979573 /nfs/dbraw/zinc/97/95/73/374979573.db2.gz OYJXTNZAZYBRAX-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000090529885 375019238 /nfs/dbraw/zinc/01/92/38/375019238.db2.gz RNJKZTJRXFOWBK-CMPLNLGQSA-N 1 1 288.351 2.908 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957356 375073410 /nfs/dbraw/zinc/07/34/10/375073410.db2.gz WWAYETPSKNTSPB-AEGPPILISA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649576 375135894 /nfs/dbraw/zinc/13/58/94/375135894.db2.gz WECLSMQUWFRLQQ-NSHDSACASA-N 1 1 263.341 2.798 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659366 375371244 /nfs/dbraw/zinc/37/12/44/375371244.db2.gz WMPMZQIVKNWVFF-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000501796366 247106137 /nfs/dbraw/zinc/10/61/37/247106137.db2.gz SOLBHWGVAXHNIJ-OLZOCXBDSA-N 1 1 278.352 2.952 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098215 375767041 /nfs/dbraw/zinc/76/70/41/375767041.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000104098215 375767061 /nfs/dbraw/zinc/76/70/61/375767061.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000104098215 375767064 /nfs/dbraw/zinc/76/70/64/375767064.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829857 375810582 /nfs/dbraw/zinc/81/05/82/375810582.db2.gz FLWWBQAAIPFXNP-NWDGAFQWSA-N 1 1 279.315 2.773 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000112613246 375937142 /nfs/dbraw/zinc/93/71/42/375937142.db2.gz OMJYDHIHZBDLMS-UHFFFAOYSA-N 1 1 280.368 2.888 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118415045 376295330 /nfs/dbraw/zinc/29/53/30/376295330.db2.gz ZFJYEYQUCAIFGO-NWDGAFQWSA-N 1 1 296.392 2.799 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000119781040 376470766 /nfs/dbraw/zinc/47/07/66/376470766.db2.gz IBHGQCBDLZQNQK-UHFFFAOYSA-N 1 1 299.346 2.886 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000121071194 376756765 /nfs/dbraw/zinc/75/67/65/376756765.db2.gz WLOBTUFCVSHRDN-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624560 377453570 /nfs/dbraw/zinc/45/35/70/377453570.db2.gz KXPXDURCCWXKFL-DYEKYZERSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624560 377453576 /nfs/dbraw/zinc/45/35/76/377453576.db2.gz KXPXDURCCWXKFL-DYEKYZERSA-N 1 1 289.379 2.871 20 5 CFBDMO C[N@@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000129785874 377471525 /nfs/dbraw/zinc/47/15/25/377471525.db2.gz XKZGVVXSGLHEFI-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000133015931 377895839 /nfs/dbraw/zinc/89/58/39/377895839.db2.gz DSUMQHPAZGAGOV-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000133015931 377895840 /nfs/dbraw/zinc/89/58/40/377895840.db2.gz DSUMQHPAZGAGOV-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000134454902 378016645 /nfs/dbraw/zinc/01/66/45/378016645.db2.gz JEYWFNBRNMCTKS-UHFFFAOYSA-N 1 1 282.388 2.795 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148482511 378258199 /nfs/dbraw/zinc/25/81/99/378258199.db2.gz TWJWDWFRUYXJNP-SNVBAGLBSA-N 1 1 284.747 2.539 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152836633 378451103 /nfs/dbraw/zinc/45/11/03/378451103.db2.gz VSZKRRBMRDPCNR-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079947 378628572 /nfs/dbraw/zinc/62/85/72/378628572.db2.gz WZRYVXSUYVJHNX-NWDGAFQWSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332647540 378782054 /nfs/dbraw/zinc/78/20/54/378782054.db2.gz CAXCBJOOXNRMCT-GFCCVEGCSA-N 1 1 280.372 2.729 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266261325 190243931 /nfs/dbraw/zinc/24/39/31/190243931.db2.gz PCPFWWUZZPQGQW-PWSUYJOCSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161871315 378877435 /nfs/dbraw/zinc/87/74/35/378877435.db2.gz YLEYMWKQCNHUIM-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161871315 378877440 /nfs/dbraw/zinc/87/74/40/378877440.db2.gz YLEYMWKQCNHUIM-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000172171263 379509778 /nfs/dbraw/zinc/50/97/78/379509778.db2.gz MSXNKFXNRKZNHR-UHFFFAOYSA-N 1 1 293.367 2.536 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172963499 379676653 /nfs/dbraw/zinc/67/66/53/379676653.db2.gz VAEHSWRFATWZEK-AOOOYVTPSA-N 1 1 252.339 2.744 20 5 CFBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000173614777 379757700 /nfs/dbraw/zinc/75/77/00/379757700.db2.gz OGVIWDRCTOLQLH-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000173812060 379782835 /nfs/dbraw/zinc/78/28/35/379782835.db2.gz UOBROOUCAMXMQO-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000173812060 379782839 /nfs/dbraw/zinc/78/28/39/379782839.db2.gz UOBROOUCAMXMQO-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878466 379955948 /nfs/dbraw/zinc/95/59/48/379955948.db2.gz JRXKHZVGCSLYDF-TZMCWYRMSA-N 1 1 280.372 2.692 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000175171010 380011657 /nfs/dbraw/zinc/01/16/57/380011657.db2.gz VJQATPDZXBOYFZ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC)C1 ZINC000175171010 380011662 /nfs/dbraw/zinc/01/16/62/380011662.db2.gz VJQATPDZXBOYFZ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO C[N@@H+](CCCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000175740856 380124105 /nfs/dbraw/zinc/12/41/05/380124105.db2.gz MAWPNKQYFWRLOE-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177866789 380387329 /nfs/dbraw/zinc/38/73/29/380387329.db2.gz FFNRGVHFFYJUJV-NWDGAFQWSA-N 1 1 294.351 2.713 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336788000 380634221 /nfs/dbraw/zinc/63/42/21/380634221.db2.gz GEHNSNABMJZSNQ-VIFPVBQESA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000336813946 380675208 /nfs/dbraw/zinc/67/52/08/380675208.db2.gz VXVHELCZLLSGSB-SECBINFHSA-N 1 1 267.304 2.629 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347029465 380888798 /nfs/dbraw/zinc/88/87/98/380888798.db2.gz WJOMJYXVDRBDCH-GMXVVIOVSA-N 1 1 292.335 2.539 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000347166717 380979835 /nfs/dbraw/zinc/97/98/35/380979835.db2.gz KWWZFOOACXPCAH-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[C@]1(F)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295556016 380938832 /nfs/dbraw/zinc/93/88/32/380938832.db2.gz XLWGBQWGRAAMRW-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@]1(F)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295556016 380938837 /nfs/dbraw/zinc/93/88/37/380938837.db2.gz XLWGBQWGRAAMRW-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000279293941 194372709 /nfs/dbraw/zinc/37/27/09/194372709.db2.gz LIFAYCFQNGNLPD-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000368570755 381068472 /nfs/dbraw/zinc/06/84/72/381068472.db2.gz ZFLNAJPHVZEJQX-SNVBAGLBSA-N 1 1 297.305 2.548 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cc[nH]n1 ZINC000347374971 381108006 /nfs/dbraw/zinc/10/80/06/381108006.db2.gz YLTBKEGSTVVWOR-XYOKQWHBSA-N 1 1 286.335 2.853 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cc[nH]n1 ZINC000347374971 381108014 /nfs/dbraw/zinc/10/80/14/381108014.db2.gz YLTBKEGSTVVWOR-XYOKQWHBSA-N 1 1 286.335 2.853 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCCO)C1CC1 ZINC000183344231 381257065 /nfs/dbraw/zinc/25/70/65/381257065.db2.gz KAIWDDLKHQJEEM-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369464657 381267262 /nfs/dbraw/zinc/26/72/62/381267262.db2.gz FXWQRJPDYQTJPT-HUUCEWRRSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1F ZINC000342227441 381223632 /nfs/dbraw/zinc/22/36/32/381223632.db2.gz HLJQRBNMZAVMIB-SNVBAGLBSA-N 1 1 292.314 2.627 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)ccc1Cl ZINC000369675049 381310095 /nfs/dbraw/zinc/31/00/95/381310095.db2.gz CGURDAUWCAGVOA-SMDDNHRTSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1Cl ZINC000369675049 381310101 /nfs/dbraw/zinc/31/01/01/381310101.db2.gz CGURDAUWCAGVOA-SMDDNHRTSA-N 1 1 296.754 2.859 20 5 CFBDMO Cc1ccc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000347793736 381352140 /nfs/dbraw/zinc/35/21/40/381352140.db2.gz YBMFCCCHNZYVAG-UHFFFAOYSA-N 1 1 297.358 2.899 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](O)CC1 ZINC000354744990 381432992 /nfs/dbraw/zinc/43/29/92/381432992.db2.gz IVVDUSHQMJCNGF-ISBHARSQSA-N 1 1 290.363 2.845 20 5 CFBDMO COc1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501073 381454081 /nfs/dbraw/zinc/45/40/81/381454081.db2.gz AROJGQSYQATHPX-QWRGUYRKSA-N 1 1 291.351 2.641 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663381 381484566 /nfs/dbraw/zinc/48/45/66/381484566.db2.gz UNCOYSRZYDWVBX-GXFFZTMASA-N 1 1 286.335 2.526 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000290677364 381520637 /nfs/dbraw/zinc/52/06/37/381520637.db2.gz KZTKWMRWYRUBJF-SECBINFHSA-N 1 1 286.763 2.784 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000370705969 381493727 /nfs/dbraw/zinc/49/37/27/381493727.db2.gz KNXULGWLOQUHIC-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296658842 381495134 /nfs/dbraw/zinc/49/51/34/381495134.db2.gz JTBLHTQHUFKYLQ-HNNXBMFYSA-N 1 1 278.352 2.762 20 5 CFBDMO Cc1c(C[NH2+][C@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185092351 381533557 /nfs/dbraw/zinc/53/35/57/381533557.db2.gz XGKDBMPNRMXBNQ-CYBMUJFWSA-N 1 1 290.319 2.710 20 5 CFBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185217200 381566802 /nfs/dbraw/zinc/56/68/02/381566802.db2.gz PQIMUYCLEGAAKU-NSHDSACASA-N 1 1 290.319 2.667 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000342860426 381590021 /nfs/dbraw/zinc/59/00/21/381590021.db2.gz JLADJWPKAFMSEW-GFCCVEGCSA-N 1 1 294.351 2.842 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000342860426 381590028 /nfs/dbraw/zinc/59/00/28/381590028.db2.gz JLADJWPKAFMSEW-GFCCVEGCSA-N 1 1 294.351 2.842 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542117 381618848 /nfs/dbraw/zinc/61/88/48/381618848.db2.gz ATMCFGHRSHUKHH-NKRQLWMJSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185399803 381622636 /nfs/dbraw/zinc/62/26/36/381622636.db2.gz JBQNLZOKMJVHNP-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000414943096 381633710 /nfs/dbraw/zinc/63/37/10/381633710.db2.gz CNIOCAWPNDMDAX-KRWDZBQOSA-N 1 1 297.358 2.571 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000371736856 381689263 /nfs/dbraw/zinc/68/92/63/381689263.db2.gz QCOYIFCJLRNWTA-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000343477873 381741548 /nfs/dbraw/zinc/74/15/48/381741548.db2.gz PAXVWUYMROTXAX-VXGBXAGGSA-N 1 1 278.356 2.501 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000372330095 381791476 /nfs/dbraw/zinc/79/14/76/381791476.db2.gz DUIHHFGOQBKPFK-LBPRGKRZSA-N 1 1 276.336 2.835 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000349293612 381877265 /nfs/dbraw/zinc/87/72/65/381877265.db2.gz FSIUKHBMGKAGEQ-LLVKDONJSA-N 1 1 266.341 2.531 20 5 CFBDMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299384423 381919735 /nfs/dbraw/zinc/91/97/35/381919735.db2.gz PFCNLODTRKBSBM-UHFFFAOYSA-N 1 1 280.324 2.693 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293106696 381992817 /nfs/dbraw/zinc/99/28/17/381992817.db2.gz LLXZVYSDVAWBEH-RISCZKNCSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[C@@H]([NH2+]Cc1snnc1C)c1cccc([N+](=O)[O-])c1 ZINC000293291510 382066366 /nfs/dbraw/zinc/06/63/66/382066366.db2.gz DHPUYNZJKJSMLW-GFCCVEGCSA-N 1 1 292.364 2.996 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000301186419 382102291 /nfs/dbraw/zinc/10/22/91/382102291.db2.gz KFUHYEAAYUHZFG-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CCCCC2)cc1 ZINC000362527820 382127691 /nfs/dbraw/zinc/12/76/91/382127691.db2.gz GIZUAILIADOWAT-UHFFFAOYSA-N 1 1 292.379 2.969 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000301256888 382124922 /nfs/dbraw/zinc/12/49/22/382124922.db2.gz NUUDANYPHFGASW-LBPRGKRZSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293328573 382080316 /nfs/dbraw/zinc/08/03/16/382080316.db2.gz GHRJNXUYZIQKFD-RYUDHWBXSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccnc(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301260607 382127105 /nfs/dbraw/zinc/12/71/05/382127105.db2.gz FJNAFCBDGGGLQP-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000301269278 382130780 /nfs/dbraw/zinc/13/07/80/382130780.db2.gz NCMIHBHKJMBTOI-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122977 382142600 /nfs/dbraw/zinc/14/26/00/382142600.db2.gz FZBZUPMOAFXPJF-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122977 382142608 /nfs/dbraw/zinc/14/26/08/382142608.db2.gz FZBZUPMOAFXPJF-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187544886 382207890 /nfs/dbraw/zinc/20/78/90/382207890.db2.gz MUNJYCWFEUOQQP-HNNXBMFYSA-N 1 1 278.352 2.579 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000187575160 382216379 /nfs/dbraw/zinc/21/63/79/382216379.db2.gz MBKITTQLTCFKOD-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000357561344 382227192 /nfs/dbraw/zinc/22/71/92/382227192.db2.gz CFTLPRYEIXIUQN-GFCCVEGCSA-N 1 1 280.372 2.747 20 5 CFBDMO Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726921 382189505 /nfs/dbraw/zinc/18/95/05/382189505.db2.gz VMOSMAJLTHTQBS-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377333195 382254115 /nfs/dbraw/zinc/25/41/15/382254115.db2.gz ZQDHXBVZIFWZJU-VIFPVBQESA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377333195 382254124 /nfs/dbraw/zinc/25/41/24/382254124.db2.gz ZQDHXBVZIFWZJU-VIFPVBQESA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377329322 382254220 /nfs/dbraw/zinc/25/42/20/382254220.db2.gz GPKSCANRTCUBLG-SECBINFHSA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377329322 382254226 /nfs/dbraw/zinc/25/42/26/382254226.db2.gz GPKSCANRTCUBLG-SECBINFHSA-N 1 1 292.726 2.941 20 5 CFBDMO CCCCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326134 382307314 /nfs/dbraw/zinc/30/73/14/382307314.db2.gz FNTLJSSMHFMVOI-LBPRGKRZSA-N 1 1 266.345 2.618 20 5 CFBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352404766 382310071 /nfs/dbraw/zinc/31/00/71/382310071.db2.gz JLRBRLMCGYOTKS-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000357773730 382313406 /nfs/dbraw/zinc/31/34/06/382313406.db2.gz IAXYKGGEDMONIY-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000293873021 382317942 /nfs/dbraw/zinc/31/79/42/382317942.db2.gz CRWUGWGLCBONEK-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000293873021 382317947 /nfs/dbraw/zinc/31/79/47/382317947.db2.gz CRWUGWGLCBONEK-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925646 382299916 /nfs/dbraw/zinc/29/99/16/382299916.db2.gz PFXLTWWJRRRVBL-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000303975327 382366071 /nfs/dbraw/zinc/36/60/71/382366071.db2.gz BHEOKOMTUVKPEW-UHFFFAOYSA-N 1 1 286.397 2.887 20 5 CFBDMO CO[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000188294340 382386087 /nfs/dbraw/zinc/38/60/87/382386087.db2.gz JJEQBNOEEFYVQL-CVYKPKQLSA-N 1 1 290.363 2.965 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000305729814 382443605 /nfs/dbraw/zinc/44/36/05/382443605.db2.gz KPSCDSBOCVPXJP-UHFFFAOYSA-N 1 1 278.352 2.675 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420418633 382403295 /nfs/dbraw/zinc/40/32/95/382403295.db2.gz XBWQOSKNUFIEHT-QWHCGFSZSA-N 1 1 277.368 2.553 20 5 CFBDMO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000420415766 382403444 /nfs/dbraw/zinc/40/34/44/382403444.db2.gz VFRKJXDBEFWNDS-IUODEOHRSA-N 1 1 277.368 2.635 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000378131548 382404336 /nfs/dbraw/zinc/40/43/36/382404336.db2.gz PNMNOPDMGXJCLV-INIZCTEOSA-N 1 1 292.379 2.744 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000352611648 382417751 /nfs/dbraw/zinc/41/77/51/382417751.db2.gz JDOHRWQLGHNHIQ-TXEJJXNPSA-N 1 1 264.300 2.822 20 5 CFBDMO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353201901 382528612 /nfs/dbraw/zinc/52/86/12/382528612.db2.gz OFGQDNOLRUGZRE-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353201901 382528617 /nfs/dbraw/zinc/52/86/17/382528617.db2.gz OFGQDNOLRUGZRE-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382409267 382530493 /nfs/dbraw/zinc/53/04/93/382530493.db2.gz ZOXOXKYQPXBDKH-JTQLQIEISA-N 1 1 269.320 2.875 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189637204 382631633 /nfs/dbraw/zinc/63/16/33/382631633.db2.gz XELALIBDQABPLI-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190426474 382667498 /nfs/dbraw/zinc/66/74/98/382667498.db2.gz BJYJJMSDTNKGHH-NSHDSACASA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190426456 382667529 /nfs/dbraw/zinc/66/75/29/382667529.db2.gz BJYJJMSDTNKGHH-LLVKDONJSA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@H]1CSCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000190436559 382668012 /nfs/dbraw/zinc/66/80/12/382668012.db2.gz YMUSZWWFUFTNTA-GFCCVEGCSA-N 1 1 296.392 2.659 20 5 CFBDMO C[C@H]1CSCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190441378 382668458 /nfs/dbraw/zinc/66/84/58/382668458.db2.gz RLBGDSGYVBPSAT-SECBINFHSA-N 1 1 272.395 2.841 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190441378 382668461 /nfs/dbraw/zinc/66/84/61/382668461.db2.gz RLBGDSGYVBPSAT-SECBINFHSA-N 1 1 272.395 2.841 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192169913 382705173 /nfs/dbraw/zinc/70/51/73/382705173.db2.gz XQJWXHLAFYTGIR-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000192192501 382705444 /nfs/dbraw/zinc/70/54/44/382705444.db2.gz ZEYPPZYNOUSDCS-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000193040569 382714817 /nfs/dbraw/zinc/71/48/17/382714817.db2.gz XSEMAXOGKUWLOR-OAHLLOKOSA-N 1 1 294.351 2.570 20 5 CFBDMO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000193040569 382714818 /nfs/dbraw/zinc/71/48/18/382714818.db2.gz XSEMAXOGKUWLOR-OAHLLOKOSA-N 1 1 294.351 2.570 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000194004895 382732757 /nfs/dbraw/zinc/73/27/57/382732757.db2.gz MAVWDSVFCVCXTJ-TXEJJXNPSA-N 1 1 291.307 2.591 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221255172 382798408 /nfs/dbraw/zinc/79/84/08/382798408.db2.gz MNBRUBJQSHPQTO-JTQLQIEISA-N 1 1 269.732 2.754 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000575805912 382799723 /nfs/dbraw/zinc/79/97/23/382799723.db2.gz PMXKCBBTXURTHV-ZBFHGGJFSA-N 1 1 292.379 2.620 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887479 382842176 /nfs/dbraw/zinc/84/21/76/382842176.db2.gz QOJCNTGQNHMIMG-VIFPVBQESA-N 1 1 285.294 2.769 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228147496 382845129 /nfs/dbraw/zinc/84/51/29/382845129.db2.gz NKPSWBHZLNIQLP-SMDDNHRTSA-N 1 1 278.352 2.639 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@H](C)C1 ZINC000577301156 382854889 /nfs/dbraw/zinc/85/48/89/382854889.db2.gz UVHCCZSDSBPXAI-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230379328 382860992 /nfs/dbraw/zinc/86/09/92/382860992.db2.gz RHOTWODDKWZRGI-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1[nH+]ccn1CCSc1cccc([N+](=O)[O-])c1 ZINC000337939269 382874619 /nfs/dbraw/zinc/87/46/19/382874619.db2.gz XPSAWXXBHQWXOP-UHFFFAOYSA-N 1 1 263.322 2.892 20 5 CFBDMO COC1(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000549920938 383016580 /nfs/dbraw/zinc/01/65/80/383016580.db2.gz ATYWWUBRXMCVNU-UHFFFAOYSA-N 1 1 290.363 2.912 20 5 CFBDMO CC(C)CC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344305 382996235 /nfs/dbraw/zinc/99/62/35/382996235.db2.gz AFGGNEYDGJJVAI-MRXNPFEDSA-N 1 1 294.395 2.866 20 5 CFBDMO Cc1oncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346468 382998150 /nfs/dbraw/zinc/99/81/50/382998150.db2.gz KTIIFATYSPBIKT-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338349507 382999014 /nfs/dbraw/zinc/99/90/14/382999014.db2.gz NSJNBRWGLWCHOE-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO Cc1ccnc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447810696 383009438 /nfs/dbraw/zinc/00/94/38/383009438.db2.gz AGNRHXLKGRRRAG-GFCCVEGCSA-N 1 1 292.383 2.831 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192418 382969109 /nfs/dbraw/zinc/96/91/09/382969109.db2.gz LCFNASPQJQZEJF-WFASDCNBSA-N 1 1 278.352 2.811 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198283 382970620 /nfs/dbraw/zinc/97/06/20/382970620.db2.gz ALQMEQRHCGHJSB-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000551045015 383034346 /nfs/dbraw/zinc/03/43/46/383034346.db2.gz DBBJGUKQUQXOGB-CYBMUJFWSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000551045015 383034349 /nfs/dbraw/zinc/03/43/49/383034349.db2.gz DBBJGUKQUQXOGB-CYBMUJFWSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000551045015 383034353 /nfs/dbraw/zinc/03/43/53/383034353.db2.gz DBBJGUKQUQXOGB-CYBMUJFWSA-N 1 1 291.395 2.990 20 5 CFBDMO C[NH2+]C[C@H](C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423275180 383055949 /nfs/dbraw/zinc/05/59/49/383055949.db2.gz MTRXLBSXCMWVIR-XHDPSFHLSA-N 1 1 291.395 2.762 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000339029497 383125137 /nfs/dbraw/zinc/12/51/37/383125137.db2.gz OGFDNDRGTRBJFK-ZDUSSCGKSA-N 1 1 292.383 2.914 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000554179269 383126575 /nfs/dbraw/zinc/12/65/75/383126575.db2.gz KXAAXKJGDGLYDX-VIFPVBQESA-N 1 1 274.324 2.701 20 5 CFBDMO COCC(C)(C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338955490 383100072 /nfs/dbraw/zinc/10/00/72/383100072.db2.gz OTDDKRKMEYZLRO-UHFFFAOYSA-N 1 1 280.368 2.742 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214560 /nfs/dbraw/zinc/21/45/60/383214560.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 1 1 289.379 2.511 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000519521756 383220092 /nfs/dbraw/zinc/22/00/92/383220092.db2.gz DMTVIGGYMOXKEN-NSHDSACASA-N 1 1 298.774 2.564 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cncnc3)C2)cc1 ZINC000449496280 383334791 /nfs/dbraw/zinc/33/47/91/383334791.db2.gz GMYKVYYDYVFFMF-HNNXBMFYSA-N 1 1 298.346 2.764 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376485 383342496 /nfs/dbraw/zinc/34/24/96/383342496.db2.gz KKBHGOHJJUPVDV-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376485 383342501 /nfs/dbraw/zinc/34/25/01/383342501.db2.gz KKBHGOHJJUPVDV-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000466819794 383345347 /nfs/dbraw/zinc/34/53/47/383345347.db2.gz RZOOOPFZWODAOC-SMDDNHRTSA-N 1 1 275.352 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339774388 383314269 /nfs/dbraw/zinc/31/42/69/383314269.db2.gz HFRJKYMDFFPFJC-INIZCTEOSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339774388 383314270 /nfs/dbraw/zinc/31/42/70/383314270.db2.gz HFRJKYMDFFPFJC-INIZCTEOSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C(C)(C)C ZINC000568508319 383410365 /nfs/dbraw/zinc/41/03/65/383410365.db2.gz ZFQSBBNKEXDKTJ-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250989370 383383627 /nfs/dbraw/zinc/38/36/27/383383627.db2.gz XFYKKZPZUHGPLQ-OLZOCXBDSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]CC2(F)CC2)c(Cl)c1 ZINC000527233887 383465729 /nfs/dbraw/zinc/46/57/29/383465729.db2.gz XAGRELDXONBMOF-UHFFFAOYSA-N 1 1 258.680 2.840 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255035677 383474007 /nfs/dbraw/zinc/47/40/07/383474007.db2.gz VWVAWWMWPGDJPV-VSKVDJIOSA-N 1 1 290.363 2.966 20 5 CFBDMO CCc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341066029 383552507 /nfs/dbraw/zinc/55/25/07/383552507.db2.gz VSNXRLUVHVIEAS-NSHDSACASA-N 1 1 288.351 2.742 20 5 CFBDMO CCc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341066027 383551975 /nfs/dbraw/zinc/55/19/75/383551975.db2.gz VSNXRLUVHVIEAS-LLVKDONJSA-N 1 1 288.351 2.742 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451325952 383591438 /nfs/dbraw/zinc/59/14/38/383591438.db2.gz PIHXVQIFAVEHAL-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000489910926 383641670 /nfs/dbraw/zinc/64/16/70/383641670.db2.gz JBIQFFQXNBWEQP-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@@H](O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548472 383642206 /nfs/dbraw/zinc/64/22/06/383642206.db2.gz NMMRYFZUOBHWOP-TZMCWYRMSA-N 1 1 278.352 2.545 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547933 383642491 /nfs/dbraw/zinc/64/24/91/383642491.db2.gz RGFKYOFQLRMYGA-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547933 383642493 /nfs/dbraw/zinc/64/24/93/383642493.db2.gz RGFKYOFQLRMYGA-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCO3)C2)cc1 ZINC000451551232 383643863 /nfs/dbraw/zinc/64/38/63/383643863.db2.gz TYPVIVGLQOIQBN-GDBMZVCRSA-N 1 1 290.363 2.953 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000451551235 383644039 /nfs/dbraw/zinc/64/40/39/383644039.db2.gz TYPVIVGLQOIQBN-ZBFHGGJFSA-N 1 1 290.363 2.953 20 5 CFBDMO CC1=CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000436267622 383795257 /nfs/dbraw/zinc/79/52/57/383795257.db2.gz YFCRGFHAXYGUDB-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438493906 384011669 /nfs/dbraw/zinc/01/16/69/384011669.db2.gz WCAJWXOBQUABLR-LBPRGKRZSA-N 1 1 291.351 2.511 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000574284668 384073408 /nfs/dbraw/zinc/07/34/08/384073408.db2.gz GXZITHAFGHJKOE-UKRRQHHQSA-N 1 1 288.347 2.596 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000277787008 384405587 /nfs/dbraw/zinc/40/55/87/384405587.db2.gz OIQJWRPZKKOECM-OAHLLOKOSA-N 1 1 278.352 2.722 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000343950584 220279670 /nfs/dbraw/zinc/27/96/70/220279670.db2.gz BESOHEWXIVOCJS-CYBMUJFWSA-N 1 1 292.383 2.893 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000352221448 220300481 /nfs/dbraw/zinc/30/04/81/220300481.db2.gz MDFGXFAYVNZPLM-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000352221448 220300483 /nfs/dbraw/zinc/30/04/83/220300483.db2.gz MDFGXFAYVNZPLM-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739326 384743141 /nfs/dbraw/zinc/74/31/41/384743141.db2.gz KKPUWBVDDFEMGF-WCQYABFASA-N 1 1 296.342 2.859 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692304 384837524 /nfs/dbraw/zinc/83/75/24/384837524.db2.gz VLDAXMGDYBQWKZ-RISCZKNCSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000269624264 384807989 /nfs/dbraw/zinc/80/79/89/384807989.db2.gz CAFLZPXBKGVITQ-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000269630497 384811604 /nfs/dbraw/zinc/81/16/04/384811604.db2.gz FKKPUFBGRVOLMX-CYBMUJFWSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000269771787 384864820 /nfs/dbraw/zinc/86/48/20/384864820.db2.gz BJANXLHJBMLMHI-SCRDCRAPSA-N 1 1 278.352 2.891 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280189358 384922583 /nfs/dbraw/zinc/92/25/83/384922583.db2.gz HIWHIZYIFCFEIF-OAHLLOKOSA-N 1 1 278.352 2.986 20 5 CFBDMO CC1=CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000270373085 385075389 /nfs/dbraw/zinc/07/53/89/385075389.db2.gz URJIFOWTPAJVDE-UHFFFAOYSA-N 1 1 290.319 2.613 20 5 CFBDMO CC1=CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000270373085 385075393 /nfs/dbraw/zinc/07/53/93/385075393.db2.gz URJIFOWTPAJVDE-UHFFFAOYSA-N 1 1 290.319 2.613 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSCC1 ZINC000270722880 385204183 /nfs/dbraw/zinc/20/41/83/385204183.db2.gz ZVQQLVOHESAYOZ-UHFFFAOYSA-N 1 1 296.392 2.932 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSCC1 ZINC000270722880 385204190 /nfs/dbraw/zinc/20/41/90/385204190.db2.gz ZVQQLVOHESAYOZ-UHFFFAOYSA-N 1 1 296.392 2.932 20 5 CFBDMO COCCCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282472489 385321083 /nfs/dbraw/zinc/32/10/83/385321083.db2.gz NXFYSCBQPPDMNQ-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000271205684 385376069 /nfs/dbraw/zinc/37/60/69/385376069.db2.gz KEMRSPPLQUCJLX-UHFFFAOYSA-N 1 1 279.271 2.708 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282491398 385325819 /nfs/dbraw/zinc/32/58/19/385325819.db2.gz MOBIMEXDXPOUPN-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495568 385327326 /nfs/dbraw/zinc/32/73/26/385327326.db2.gz QGCKIVYBBIFCPA-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000283161101 385441402 /nfs/dbraw/zinc/44/14/02/385441402.db2.gz OYONCPXQUNSJIM-WFASDCNBSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283238753 385449231 /nfs/dbraw/zinc/44/92/31/385449231.db2.gz UPNRTUGWYOVOOY-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000288942962 197198113 /nfs/dbraw/zinc/19/81/13/197198113.db2.gz WXFQNBDJPBYFSE-OAHLLOKOSA-N 1 1 278.352 2.579 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272215438 385477043 /nfs/dbraw/zinc/47/70/43/385477043.db2.gz QZQYNXRBEOSOIH-QMTHXVAHSA-N 1 1 295.770 2.779 20 5 CFBDMO CC[N@@H+](CCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272300657 385502710 /nfs/dbraw/zinc/50/27/10/385502710.db2.gz ITXRIUUOBBPHFB-GFCCVEGCSA-N 1 1 266.341 2.669 20 5 CFBDMO Cc1cnn(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286499079 385636038 /nfs/dbraw/zinc/63/60/38/385636038.db2.gz MHPFRHFTRJINAC-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286633595 385670496 /nfs/dbraw/zinc/67/04/96/385670496.db2.gz SQVMZDUXYWMQQW-LERXQTSPSA-N 1 1 264.325 2.501 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000288590876 197121823 /nfs/dbraw/zinc/12/18/23/197121823.db2.gz OOSGWLPHLYZKSX-NSHDSACASA-N 1 1 285.413 2.866 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276934565 386084796 /nfs/dbraw/zinc/08/47/96/386084796.db2.gz RILTVFXHNVIGRN-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO CSCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000281477555 195257121 /nfs/dbraw/zinc/25/71/21/195257121.db2.gz SENOJCMPGIMNBW-UHFFFAOYSA-N 1 1 295.364 2.921 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281663040 195326720 /nfs/dbraw/zinc/32/67/20/195326720.db2.gz KWNGHULUEOHIDH-BXUZGUMPSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414881194 533579760 /nfs/dbraw/zinc/57/97/60/533579760.db2.gz KSBAFDOLEBGERK-NSHDSACASA-N 1 1 289.335 2.682 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000426483213 533569905 /nfs/dbraw/zinc/56/99/05/533569905.db2.gz OGWCDHAUDQHIPO-CHWSQXEVSA-N 1 1 276.336 2.978 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(F)c1 ZINC000342011542 130197746 /nfs/dbraw/zinc/19/77/46/130197746.db2.gz GJCQUADFRVQBQY-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)c(F)c1 ZINC000342059911 130228315 /nfs/dbraw/zinc/22/83/15/130228315.db2.gz HJOCGPSKXDWSAP-ZDUSSCGKSA-N 1 1 296.342 2.861 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@@H](C)O ZINC000182810516 393514422 /nfs/dbraw/zinc/51/44/22/393514422.db2.gz LYZIVBWBHWZECW-NEPJUHHUSA-N 1 1 266.341 2.667 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299091 393555368 /nfs/dbraw/zinc/55/53/68/393555368.db2.gz VFXHWLHZKMJBBF-DVOMOZLQSA-N 1 1 292.379 2.619 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111141 393618548 /nfs/dbraw/zinc/61/85/48/393618548.db2.gz LAVOCMVQMUWDPI-LBPRGKRZSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111141 393618554 /nfs/dbraw/zinc/61/85/54/393618554.db2.gz LAVOCMVQMUWDPI-LBPRGKRZSA-N 1 1 265.357 2.586 20 5 CFBDMO CC[C@H](NCC[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109992 393619299 /nfs/dbraw/zinc/61/92/99/393619299.db2.gz UZCYGHSYXZPENY-AWEZNQCLSA-N 1 1 265.357 2.587 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC000245536122 393813586 /nfs/dbraw/zinc/81/35/86/393813586.db2.gz XHUINEDNBNMNQR-WFASDCNBSA-N 1 1 278.352 2.811 20 5 CFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000459675764 393884908 /nfs/dbraw/zinc/88/49/08/393884908.db2.gz MPWVGSVVXWXJJI-CQSZACIVSA-N 1 1 278.352 2.986 20 5 CFBDMO COC[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178799 393899141 /nfs/dbraw/zinc/89/91/41/393899141.db2.gz ODSZEVMIECSZKD-XETPBLJFSA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1c(C[N@H+]2[C@@H](C)CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000246250933 393856516 /nfs/dbraw/zinc/85/65/16/393856516.db2.gz JLPKSIVBWYKZCH-FZMZJTMJSA-N 1 1 278.352 2.639 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211409 393968624 /nfs/dbraw/zinc/96/86/24/393968624.db2.gz JAQSWFSZZXNLNJ-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211829 393968985 /nfs/dbraw/zinc/96/89/85/393968985.db2.gz BBYNDCBBVKRHTN-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430230295 393970703 /nfs/dbraw/zinc/97/07/03/393970703.db2.gz XTXHKLYSKKIWHX-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000125154203 394002537 /nfs/dbraw/zinc/00/25/37/394002537.db2.gz MWRGZYWKUNUXAC-GFCCVEGCSA-N 1 1 264.325 2.706 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125471706 394007926 /nfs/dbraw/zinc/00/79/26/394007926.db2.gz ABNVJQMMRUCJDH-GFCCVEGCSA-N 1 1 264.325 2.706 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC[C@@H]2CCOC2)C2CC2)cc1 ZINC000437582928 394060852 /nfs/dbraw/zinc/06/08/52/394060852.db2.gz ZBGMCSSZZXOURF-CQSZACIVSA-N 1 1 290.363 2.986 20 5 CFBDMO Cn1ccnc1[C@H]([NH2+]C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272484897 394029122 /nfs/dbraw/zinc/02/91/22/394029122.db2.gz CRCDUALEHJXPMK-CQSZACIVSA-N 1 1 286.335 2.560 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420943520 394133605 /nfs/dbraw/zinc/13/36/05/394133605.db2.gz RCRVWSRHDZLYMX-UPJWGTAASA-N 1 1 278.352 2.606 20 5 CFBDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031386 394134153 /nfs/dbraw/zinc/13/41/53/394134153.db2.gz JICVUIPJTLXQEJ-LBPRGKRZSA-N 1 1 294.399 2.558 20 5 CFBDMO C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284163612 394135458 /nfs/dbraw/zinc/13/54/58/394135458.db2.gz QHUCXLAYDZJDGZ-JTQLQIEISA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284163612 394135462 /nfs/dbraw/zinc/13/54/62/394135462.db2.gz QHUCXLAYDZJDGZ-JTQLQIEISA-N 1 1 279.296 2.877 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421040990 394168334 /nfs/dbraw/zinc/16/83/34/394168334.db2.gz OEFCDAKCAYQCNG-CYBMUJFWSA-N 1 1 278.352 2.579 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134430558 394197195 /nfs/dbraw/zinc/19/71/95/394197195.db2.gz KSGWFJSAPCHUGI-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134430558 394197199 /nfs/dbraw/zinc/19/71/99/394197199.db2.gz KSGWFJSAPCHUGI-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290777103 394233579 /nfs/dbraw/zinc/23/35/79/394233579.db2.gz MKNIZGHAHRRKQO-HUUCEWRRSA-N 1 1 290.363 2.749 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422560816 394252820 /nfs/dbraw/zinc/25/28/20/394252820.db2.gz HRQFFFYSXGTTAC-ZLDLUXBVSA-N 1 1 291.395 2.708 20 5 CFBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604359 394275422 /nfs/dbraw/zinc/27/54/22/394275422.db2.gz MMURYRNEKGXLQV-IAQYHMDHSA-N 1 1 293.342 2.573 20 5 CFBDMO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604373 394275485 /nfs/dbraw/zinc/27/54/85/394275485.db2.gz MMURYRNEKGXLQV-XHDPSFHLSA-N 1 1 293.342 2.573 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175742 394355082 /nfs/dbraw/zinc/35/50/82/394355082.db2.gz GCAJITAUAGNHOW-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175742 394355083 /nfs/dbraw/zinc/35/50/83/394355083.db2.gz GCAJITAUAGNHOW-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000158175742 394355084 /nfs/dbraw/zinc/35/50/84/394355084.db2.gz GCAJITAUAGNHOW-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518718611 394371441 /nfs/dbraw/zinc/37/14/41/394371441.db2.gz ZYKCDMUJFUIMKB-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCOCC1 ZINC000535798849 394545901 /nfs/dbraw/zinc/54/59/01/394545901.db2.gz JTBZJKYFZZLZNK-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC1(C)C ZINC000538735794 394614085 /nfs/dbraw/zinc/61/40/85/394614085.db2.gz DODYLQZSXMACLK-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC1(C)C ZINC000538735794 394614087 /nfs/dbraw/zinc/61/40/87/394614087.db2.gz DODYLQZSXMACLK-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000541983837 394691866 /nfs/dbraw/zinc/69/18/66/394691866.db2.gz STNNTPCGAITNJB-OAHLLOKOSA-N 1 1 286.331 2.726 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000555682901 394981773 /nfs/dbraw/zinc/98/17/73/394981773.db2.gz GLDHKUZZFBKBSE-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000555682901 394981778 /nfs/dbraw/zinc/98/17/78/394981778.db2.gz GLDHKUZZFBKBSE-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO CC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000555104280 394965895 /nfs/dbraw/zinc/96/58/95/394965895.db2.gz GBMGXILDZULOSS-UHFFFAOYSA-N 1 1 262.309 2.589 20 5 CFBDMO CC1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000555104280 394965899 /nfs/dbraw/zinc/96/58/99/394965899.db2.gz GBMGXILDZULOSS-UHFFFAOYSA-N 1 1 262.309 2.589 20 5 CFBDMO Cc1cccc(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000570628262 395085883 /nfs/dbraw/zinc/08/58/83/395085883.db2.gz PNTGCYIKQPWCDA-UHFFFAOYSA-N 1 1 297.358 2.899 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421009364 397571377 /nfs/dbraw/zinc/57/13/77/397571377.db2.gz PXWNIISELYPOFX-WFASDCNBSA-N 1 1 277.368 2.682 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000045692582 397577022 /nfs/dbraw/zinc/57/70/22/397577022.db2.gz ZWNZPVGITAMFGU-ZDUSSCGKSA-N 1 1 279.384 2.723 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356733469 155344121 /nfs/dbraw/zinc/34/41/21/155344121.db2.gz BIAUOCFCPLJZNZ-AWEZNQCLSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348183437 154352431 /nfs/dbraw/zinc/35/24/31/154352431.db2.gz ZAPWQRYGKCEDRT-OAHLLOKOSA-N 1 1 289.379 2.572 20 5 CFBDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348190438 154356705 /nfs/dbraw/zinc/35/67/05/154356705.db2.gz YUYCTCQZTVHGNS-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1cc(C[N@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348190439 154357241 /nfs/dbraw/zinc/35/72/41/154357241.db2.gz YUYCTCQZTVHGNS-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354550026 154744756 /nfs/dbraw/zinc/74/47/56/154744756.db2.gz VORTXCIKNXCTIK-UHFFFAOYSA-N 1 1 290.323 2.581 20 5 CFBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959309 156126771 /nfs/dbraw/zinc/12/67/71/156126771.db2.gz XPMGBVXVJCSSRZ-VXGBXAGGSA-N 1 1 280.372 2.729 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366918076 156254420 /nfs/dbraw/zinc/25/44/20/156254420.db2.gz SYZLIRUOTHCJNJ-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCC(CO)CC3)cc1 ZINC000367741574 156384612 /nfs/dbraw/zinc/38/46/12/156384612.db2.gz SPBSSKLPDGGOIV-UHFFFAOYSA-N 1 1 290.363 2.722 20 5 CFBDMO Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000374347087 157103900 /nfs/dbraw/zinc/10/39/00/157103900.db2.gz AVZXVZHAGJRZCI-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375320519 157225909 /nfs/dbraw/zinc/22/59/09/157225909.db2.gz NUMTWBKKJBCENB-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO Cc1c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000345355450 162234378 /nfs/dbraw/zinc/23/43/78/162234378.db2.gz MCUBRBNBXJMWGR-GWCFXTLKSA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349818164 163019536 /nfs/dbraw/zinc/01/95/36/163019536.db2.gz HBAOEORFPCRNBS-MRVPVSSYSA-N 1 1 297.261 2.744 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccn1C ZINC000349970315 163046620 /nfs/dbraw/zinc/04/66/20/163046620.db2.gz RDDXEXUAVNEXFM-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccn1C ZINC000349970315 163046621 /nfs/dbraw/zinc/04/66/21/163046621.db2.gz RDDXEXUAVNEXFM-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765465 163190455 /nfs/dbraw/zinc/19/04/55/163190455.db2.gz BMFUCFAYJHXNDG-ZWNOBZJWSA-N 1 1 291.351 2.692 20 5 CFBDMO CC(C)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352679120 163221226 /nfs/dbraw/zinc/22/12/26/163221226.db2.gz PQYFZPHLDXAXFA-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352689932 163222697 /nfs/dbraw/zinc/22/26/97/163222697.db2.gz DUPHLWYCKFJWRB-QWHCGFSZSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352689932 163222700 /nfs/dbraw/zinc/22/27/00/163222700.db2.gz DUPHLWYCKFJWRB-QWHCGFSZSA-N 1 1 284.743 2.593 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000353119200 163309636 /nfs/dbraw/zinc/30/96/36/163309636.db2.gz NKWIYJQRDQRMHW-CQSZACIVSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353119200 163309638 /nfs/dbraw/zinc/30/96/38/163309638.db2.gz NKWIYJQRDQRMHW-CQSZACIVSA-N 1 1 277.368 2.559 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353223721 163318806 /nfs/dbraw/zinc/31/88/06/163318806.db2.gz SZRDOUITLOOSFQ-UHFFFAOYSA-N 1 1 282.303 2.761 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564069 163394335 /nfs/dbraw/zinc/39/43/35/163394335.db2.gz HNPQVJPLKRCFCN-STQMWFEESA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564069 163394338 /nfs/dbraw/zinc/39/43/38/163394338.db2.gz HNPQVJPLKRCFCN-STQMWFEESA-N 1 1 279.384 2.974 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000049553820 287047827 /nfs/dbraw/zinc/04/78/27/287047827.db2.gz ZFKNFRKANAZMAK-NWDGAFQWSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284192523 196000462 /nfs/dbraw/zinc/00/04/62/196000462.db2.gz YGVCNAAUVCUHAP-OAHLLOKOSA-N 1 1 292.379 2.966 20 5 CFBDMO Cc1cnc(OCC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000284233742 196009694 /nfs/dbraw/zinc/00/96/94/196009694.db2.gz NGLTXZZBGKCCFG-LBPRGKRZSA-N 1 1 279.340 2.551 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000007389342 170282335 /nfs/dbraw/zinc/28/23/35/170282335.db2.gz VKUIAGZXQILKBU-GFCCVEGCSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc([C@H](C)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020127071 171012332 /nfs/dbraw/zinc/01/23/32/171012332.db2.gz XBLCGGWEBLMPEQ-ZDUSSCGKSA-N 1 1 277.368 2.650 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285304366 196246598 /nfs/dbraw/zinc/24/65/98/196246598.db2.gz LLQAPPCXWPLAIO-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO Cc1cccnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285309537 196247396 /nfs/dbraw/zinc/24/73/96/196247396.db2.gz LYVKDXIEOVOVQN-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO COCCc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000285289829 196242498 /nfs/dbraw/zinc/24/24/98/196242498.db2.gz SUMJYACJGXPMBM-UHFFFAOYSA-N 1 1 287.319 2.791 20 5 CFBDMO C[C@H]1CC[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444097 196286428 /nfs/dbraw/zinc/28/64/28/196286428.db2.gz XVSOKOOREUKKIJ-GXTWGEPZSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285617197 196345451 /nfs/dbraw/zinc/34/54/51/196345451.db2.gz KDDAYVUFVIRCMV-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CCC[C@H](NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087861 174100880 /nfs/dbraw/zinc/10/08/80/174100880.db2.gz ASXPUHCOQUZHOP-WFASDCNBSA-N 1 1 279.384 2.976 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040624174 174356380 /nfs/dbraw/zinc/35/63/80/174356380.db2.gz DHUQHZSUOQOMBY-LLVKDONJSA-N 1 1 281.331 2.876 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534304 175196980 /nfs/dbraw/zinc/19/69/80/175196980.db2.gz UKAZFNOYKOWBAQ-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000044534304 175196985 /nfs/dbraw/zinc/19/69/85/175196985.db2.gz UKAZFNOYKOWBAQ-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044572633 175210361 /nfs/dbraw/zinc/21/03/61/175210361.db2.gz JIOVOPYTOVMKHG-NSHDSACASA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000518080306 260341091 /nfs/dbraw/zinc/34/10/91/260341091.db2.gz XHTZDGYEBGPWTL-NSHDSACASA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361237224 261179120 /nfs/dbraw/zinc/17/91/20/261179120.db2.gz NNTIIYRMSLRQBL-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@@H]1CC[N@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999642 265291530 /nfs/dbraw/zinc/29/15/30/265291530.db2.gz IQGLWTBOSSWHIJ-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999642 265291533 /nfs/dbraw/zinc/29/15/33/265291533.db2.gz IQGLWTBOSSWHIJ-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO C[N@H+](CCOCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000193811264 270240039 /nfs/dbraw/zinc/24/00/39/270240039.db2.gz FSKBRLBZMZAMIR-UHFFFAOYSA-N 1 1 292.257 2.606 20 5 CFBDMO C[N@@H+](CCOCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000193811264 270240040 /nfs/dbraw/zinc/24/00/40/270240040.db2.gz FSKBRLBZMZAMIR-UHFFFAOYSA-N 1 1 292.257 2.606 20 5 CFBDMO Cc1c(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270842 270316658 /nfs/dbraw/zinc/31/66/58/270316658.db2.gz MUNGQJZXXXAOIX-HUBLWGQQSA-N 1 1 291.395 2.708 20 5 CFBDMO COC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266881161 274047638 /nfs/dbraw/zinc/04/76/38/274047638.db2.gz AJZFTUASHYJBRQ-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266881161 274047640 /nfs/dbraw/zinc/04/76/40/274047640.db2.gz AJZFTUASHYJBRQ-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000194059480 274302915 /nfs/dbraw/zinc/30/29/15/274302915.db2.gz UZPZOTGIAGLLTP-NXEZZACHSA-N 1 1 279.296 2.733 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769399 274312030 /nfs/dbraw/zinc/31/20/30/274312030.db2.gz CPJPFXDNALULOE-CZUORRHYSA-N 1 1 292.379 2.620 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000300409332 275033755 /nfs/dbraw/zinc/03/37/55/275033755.db2.gz XAZZAVIHOIAKSK-UWVGGRQHSA-N 1 1 297.305 2.912 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000301992510 275040723 /nfs/dbraw/zinc/04/07/23/275040723.db2.gz NWAKTDFYDRSMIH-UWVGGRQHSA-N 1 1 267.354 2.695 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300405523 275041415 /nfs/dbraw/zinc/04/14/15/275041415.db2.gz VNGDLACPVWKWOZ-ZJUUUORDSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000227649592 275041424 /nfs/dbraw/zinc/04/14/24/275041424.db2.gz VNGDLACPVWKWOZ-VHSXEESVSA-N 1 1 296.758 2.682 20 5 CFBDMO CC[N@@H+](CCOC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270783180 276349622 /nfs/dbraw/zinc/34/96/22/276349622.db2.gz PHRSORVILYTYBM-LLVKDONJSA-N 1 1 252.314 2.624 20 5 CFBDMO CC[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352699871 276385061 /nfs/dbraw/zinc/38/50/61/276385061.db2.gz SOBRTJFJXVRFSW-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084243 /nfs/dbraw/zinc/08/42/43/277084243.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 1 1 289.379 2.511 20 5 CFBDMO C[C@@H](C[NH+](C)C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294785 278240086 /nfs/dbraw/zinc/24/00/86/278240086.db2.gz RFVOUABSNTYUFK-NHYWBVRUSA-N 1 1 291.395 2.857 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330971546 279207133 /nfs/dbraw/zinc/20/71/33/279207133.db2.gz HDXFPYKZFNREMG-GFCCVEGCSA-N 1 1 280.372 2.729 20 5 CFBDMO C[C@H](C[NH+](C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348310708 279279993 /nfs/dbraw/zinc/27/99/93/279279993.db2.gz STVDBQWMEKDACU-IAQYHMDHSA-N 1 1 277.368 2.512 20 5 CFBDMO C[C@H](C[NH+](C)C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294783 279280100 /nfs/dbraw/zinc/28/01/00/279280100.db2.gz RFVOUABSNTYUFK-ABAIWWIYSA-N 1 1 291.395 2.857 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000359084498 280399865 /nfs/dbraw/zinc/39/98/65/280399865.db2.gz RBUKELKIBGVHPR-MFKMUULPSA-N 1 1 290.367 2.501 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1C ZINC000249337188 281055828 /nfs/dbraw/zinc/05/58/28/281055828.db2.gz IKNBCXPAAXSUJY-CHWSQXEVSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249633682 281064653 /nfs/dbraw/zinc/06/46/53/281064653.db2.gz VYUAEDDOEACNJI-ZJUUUORDSA-N 1 1 284.385 2.584 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728796 281208439 /nfs/dbraw/zinc/20/84/39/281208439.db2.gz IGSWPDYOFYWVCR-WDEREUQCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728796 281208440 /nfs/dbraw/zinc/20/84/40/281208440.db2.gz IGSWPDYOFYWVCR-WDEREUQCSA-N 1 1 298.770 2.699 20 5 CFBDMO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392539 281235107 /nfs/dbraw/zinc/23/51/07/281235107.db2.gz WZTZYSOKQKOWLS-AWEZNQCLSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000341812774 281261083 /nfs/dbraw/zinc/26/10/83/281261083.db2.gz ZOFCHFVIMCRYRA-GFCCVEGCSA-N 1 1 293.367 2.818 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000512887754 281261215 /nfs/dbraw/zinc/26/12/15/281261215.db2.gz BBADPIXMXYCHQC-NWDGAFQWSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000560435758 282026718 /nfs/dbraw/zinc/02/67/18/282026718.db2.gz DYYNSAYKSKOOPB-NSHDSACASA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000560435758 282026720 /nfs/dbraw/zinc/02/67/20/282026720.db2.gz DYYNSAYKSKOOPB-NSHDSACASA-N 1 1 288.351 2.830 20 5 CFBDMO C[C@@H](F)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462440 282028240 /nfs/dbraw/zinc/02/82/40/282028240.db2.gz OHKCUXVCYSEOSU-SNVBAGLBSA-N 1 1 252.289 2.701 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000311450291 290015543 /nfs/dbraw/zinc/01/55/43/290015543.db2.gz SBJXKVOTMRNDGV-JTQLQIEISA-N 1 1 269.320 2.875 20 5 CFBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429314124 290354865 /nfs/dbraw/zinc/35/48/65/290354865.db2.gz YGSAXEQPSRSPMP-UWVGGRQHSA-N 1 1 298.770 2.982 20 5 CFBDMO Cc1c(NC(=O)CC[N@H+](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000566184250 290356836 /nfs/dbraw/zinc/35/68/36/290356836.db2.gz JKRNFCRIHHUBPA-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000171057205 322399210 /nfs/dbraw/zinc/39/92/10/322399210.db2.gz NJKCZPWCAYAHCP-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000361236973 521331307 /nfs/dbraw/zinc/33/13/07/521331307.db2.gz HPIQWQZEUGSULP-CQSZACIVSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414068359 533925868 /nfs/dbraw/zinc/92/58/68/533925868.db2.gz AYZDLIOYTKLLMT-NSHDSACASA-N 1 1 286.335 2.588 20 5 CFBDMO CCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665000 520182174 /nfs/dbraw/zinc/18/21/74/520182174.db2.gz ANRBLEIDFLAOPV-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072858673 520249062 /nfs/dbraw/zinc/24/90/62/520249062.db2.gz BDEWQVPNXUJUIU-KBPBESRZSA-N 1 1 291.395 2.929 20 5 CFBDMO CC1(C)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000077383039 520335604 /nfs/dbraw/zinc/33/56/04/520335604.db2.gz RHHGDEZQYAVLCW-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000341126793 520413685 /nfs/dbraw/zinc/41/36/85/520413685.db2.gz RKCFYOYWYQAVRL-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156633966 521080992 /nfs/dbraw/zinc/08/09/92/521080992.db2.gz SNRYKIUEUZQDIJ-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO CCN(CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156633966 521081002 /nfs/dbraw/zinc/08/10/02/521081002.db2.gz SNRYKIUEUZQDIJ-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365883284 521545544 /nfs/dbraw/zinc/54/55/44/521545544.db2.gz FEYXQDUFSHHJSL-UHFFFAOYSA-N 1 1 261.325 2.594 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000353097460 521613379 /nfs/dbraw/zinc/61/33/79/521613379.db2.gz TUGQZIZOVAYNQN-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245428294 521720719 /nfs/dbraw/zinc/72/07/19/521720719.db2.gz MLRAUKWBLTUSEO-AAEUAGOBSA-N 1 1 297.424 2.818 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340673263 523108336 /nfs/dbraw/zinc/10/83/36/523108336.db2.gz FWTHBCYBYQHSQR-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155749678 523528343 /nfs/dbraw/zinc/52/83/43/523528343.db2.gz XOONYUMKWOSYOA-UHFFFAOYSA-N 1 1 270.354 2.515 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000220303041 523923503 /nfs/dbraw/zinc/92/35/03/523923503.db2.gz SIEBEUOLVTWQHF-NSHDSACASA-N 1 1 281.356 2.746 20 5 CFBDMO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000172020618 523973145 /nfs/dbraw/zinc/97/31/45/523973145.db2.gz QKRQXHLIBQWKSI-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000172020618 523973150 /nfs/dbraw/zinc/97/31/50/523973150.db2.gz QKRQXHLIBQWKSI-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1cccc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000218852643 524683924 /nfs/dbraw/zinc/68/39/24/524683924.db2.gz CBPSWUCLVGENPX-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO Cc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000300420950 524696555 /nfs/dbraw/zinc/69/65/55/524696555.db2.gz ARJKSNAJKJEUCD-OLZOCXBDSA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000227890853 524930682 /nfs/dbraw/zinc/93/06/82/524930682.db2.gz MUKWHVUZGVFQSC-DTWKUNHWSA-N 1 1 285.294 2.768 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000338646889 525451146 /nfs/dbraw/zinc/45/11/46/525451146.db2.gz MOEQSLCBCYIMJZ-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@@H]1[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361158038 525683296 /nfs/dbraw/zinc/68/32/96/525683296.db2.gz YVLYHKRQZHFTMU-RNUUNTDPSA-N 1 1 289.379 2.632 20 5 CFBDMO Cc1c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125070 525727524 /nfs/dbraw/zinc/72/75/24/525727524.db2.gz IPXFBSXSZPMZRJ-LALPHHSUSA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125070 525727544 /nfs/dbraw/zinc/72/75/44/525727544.db2.gz IPXFBSXSZPMZRJ-LALPHHSUSA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1c([C@H](C)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762301 525915878 /nfs/dbraw/zinc/91/58/78/525915878.db2.gz WUFGTLYVFAWVHG-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1c([C@H](C)[NH2+]CCN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762301 525915884 /nfs/dbraw/zinc/91/58/84/525915884.db2.gz WUFGTLYVFAWVHG-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450387544 535086704 /nfs/dbraw/zinc/08/67/04/535086704.db2.gz GPGCIGNKFHRWGE-CYBMUJFWSA-N 1 1 292.383 2.770 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000355372268 535235969 /nfs/dbraw/zinc/23/59/69/535235969.db2.gz UYKCQLBHJOYWFO-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO COCCC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459634814 536853755 /nfs/dbraw/zinc/85/37/55/536853755.db2.gz SKYOLGUZCCXQNH-ALCCZGGFSA-N 1 1 290.363 2.966 20 5 CFBDMO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000753851329 574051410 /nfs/dbraw/zinc/05/14/10/574051410.db2.gz WDHKRDTZQNNTOR-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000753851329 574051413 /nfs/dbraw/zinc/05/14/13/574051413.db2.gz WDHKRDTZQNNTOR-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO Cc1nn(C[N@H+]2CC=C(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000755770711 574186140 /nfs/dbraw/zinc/18/61/40/574186140.db2.gz OVWYLNTUJDFHTI-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO Cc1nn(C[N@@H+]2CC=C(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000755770711 574186142 /nfs/dbraw/zinc/18/61/42/574186142.db2.gz OVWYLNTUJDFHTI-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000747223027 574187899 /nfs/dbraw/zinc/18/78/99/574187899.db2.gz IVAVPISPRYHJIP-VHSXEESVSA-N 1 1 297.330 2.637 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000756121061 574211392 /nfs/dbraw/zinc/21/13/92/574211392.db2.gz XLKUDFQBVTUGHG-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO CC(C)CC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747826736 574214544 /nfs/dbraw/zinc/21/45/44/574214544.db2.gz WTCUQBOLZAOUCB-UHFFFAOYSA-N 1 1 269.276 2.778 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000740887911 574272838 /nfs/dbraw/zinc/27/28/38/574272838.db2.gz HTPHYAQSZATSRF-LLVKDONJSA-N 1 1 284.331 2.979 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673242 574304589 /nfs/dbraw/zinc/30/45/89/574304589.db2.gz SWUFIPUGCCVUDB-FZMZJTMJSA-N 1 1 280.368 2.995 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000742428022 574329735 /nfs/dbraw/zinc/32/97/35/574329735.db2.gz YLUVTFWGUXCQNO-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO CC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742424966 574329747 /nfs/dbraw/zinc/32/97/47/574329747.db2.gz IBZBHKYURGDGEK-NSHDSACASA-N 1 1 291.351 2.694 20 5 CFBDMO COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752088691 574387925 /nfs/dbraw/zinc/38/79/25/574387925.db2.gz NUMHFVDVVGSMBA-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752088691 574387926 /nfs/dbraw/zinc/38/79/26/574387926.db2.gz NUMHFVDVVGSMBA-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000804795769 617884510 /nfs/dbraw/zinc/88/45/10/617884510.db2.gz YBWKCZIBDPDMSC-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000804795769 617884522 /nfs/dbraw/zinc/88/45/22/617884522.db2.gz YBWKCZIBDPDMSC-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705888 617775694 /nfs/dbraw/zinc/77/56/94/617775694.db2.gz XBCKPNSNVHCWGE-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705888 617775695 /nfs/dbraw/zinc/77/56/95/617775695.db2.gz XBCKPNSNVHCWGE-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)[N@@H+](C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440019 617920525 /nfs/dbraw/zinc/92/05/25/617920525.db2.gz DZPBZECWTSEXPW-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068629 617935464 /nfs/dbraw/zinc/93/54/64/617935464.db2.gz REMRCBVYBFDXRQ-PWSUYJOCSA-N 1 1 294.351 2.929 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000807983550 618033326 /nfs/dbraw/zinc/03/33/26/618033326.db2.gz PPANHDYAMOABJQ-ZYHUDNBSSA-N 1 1 291.351 2.692 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCC)C1 ZINC000932975654 618131533 /nfs/dbraw/zinc/13/15/33/618131533.db2.gz XSWRMFYFWQBFMP-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCC)C1 ZINC000932975654 618131537 /nfs/dbraw/zinc/13/15/37/618131537.db2.gz XSWRMFYFWQBFMP-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CC ZINC000077435524 618136045 /nfs/dbraw/zinc/13/60/45/618136045.db2.gz XOIYQTCXNCZYBE-NSHDSACASA-N 1 1 254.334 2.649 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210907 618170135 /nfs/dbraw/zinc/17/01/35/618170135.db2.gz YDVIOMJASBPGJM-INIZCTEOSA-N 1 1 290.363 2.638 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[C@@H](C)[NH+](C)C ZINC000895292513 618514655 /nfs/dbraw/zinc/51/46/55/618514655.db2.gz CXNBLTOJWWELGH-JWAFFJSPSA-N 1 1 291.395 2.928 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000314071350 619051311 /nfs/dbraw/zinc/05/13/11/619051311.db2.gz LLHQUMVNIOEYGF-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980385 619209968 /nfs/dbraw/zinc/20/99/68/619209968.db2.gz YKRNPQBOKATABF-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000048391988 619330496 /nfs/dbraw/zinc/33/04/96/619330496.db2.gz JOYYDCRVXBIAAS-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO Cc1ncoc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894679615 619441557 /nfs/dbraw/zinc/44/15/57/619441557.db2.gz QMZHQDXAWYVLJY-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO COc1c(O)ccc(C[NH+]2CC(CC3CC3)C2)c1[N+](=O)[O-] ZINC000895516551 619545627 /nfs/dbraw/zinc/54/56/27/619545627.db2.gz UQDVCFHBUWCORP-UHFFFAOYSA-N 1 1 292.335 2.541 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](CF)C1 ZINC000895575370 619558363 /nfs/dbraw/zinc/55/83/63/619558363.db2.gz SEVTXLFDFGYPTN-PYEVWLCESA-N 1 1 264.300 2.899 20 5 CFBDMO C[C@@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000895667167 619581720 /nfs/dbraw/zinc/58/17/20/619581720.db2.gz ASGQAVRLPZCPNF-SNVBAGLBSA-N 1 1 287.323 2.624 20 5 CFBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC000895734539 619596411 /nfs/dbraw/zinc/59/64/11/619596411.db2.gz OJBOLIZGUHERRL-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000895738450 619598162 /nfs/dbraw/zinc/59/81/62/619598162.db2.gz LQQVUILFJZHJJO-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO CCC[C@H](O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000896183271 619688218 /nfs/dbraw/zinc/68/82/18/619688218.db2.gz NDLWKQCNILRVKM-LBPRGKRZSA-N 1 1 289.335 2.528 20 5 CFBDMO N[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333902 619843526 /nfs/dbraw/zinc/84/35/26/619843526.db2.gz SSDCJNVNYUOZGR-IAGOWNOFSA-N 1 1 297.358 2.872 20 5 CFBDMO [NH3+][C@@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333902 619843527 /nfs/dbraw/zinc/84/35/27/619843527.db2.gz SSDCJNVNYUOZGR-IAGOWNOFSA-N 1 1 297.358 2.872 20 5 CFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564635 625416783 /nfs/dbraw/zinc/41/67/83/625416783.db2.gz IHMWMSLRODSRHI-SMDDNHRTSA-N 1 1 278.352 2.891 20 5 CFBDMO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432727 621078166 /nfs/dbraw/zinc/07/81/66/621078166.db2.gz XAMDMSRMMSPFIP-KCQAQPDRSA-N 1 1 291.395 2.819 20 5 CFBDMO COc1cc([C@H](C)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903056718 621236144 /nfs/dbraw/zinc/23/61/44/621236144.db2.gz YBOVTHHMRGRVBV-NSHDSACASA-N 1 1 295.383 2.594 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832778063 625513120 /nfs/dbraw/zinc/51/31/20/625513120.db2.gz GWKYORHWIXKUKS-CYBMUJFWSA-N 1 1 295.358 2.648 20 5 CFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000819952851 622582774 /nfs/dbraw/zinc/58/27/74/622582774.db2.gz HMTTXSGWPDNUJP-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000171640083 623235711 /nfs/dbraw/zinc/23/57/11/623235711.db2.gz TVGAJAIBMQKWLX-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000173901506 623371863 /nfs/dbraw/zinc/37/18/63/623371863.db2.gz BHIISJGMOYXQCV-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761107766 623721185 /nfs/dbraw/zinc/72/11/85/623721185.db2.gz HNHFSMRIXDJETE-QMMMGPOBSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000761107766 623721190 /nfs/dbraw/zinc/72/11/90/623721190.db2.gz HNHFSMRIXDJETE-QMMMGPOBSA-N 1 1 274.242 2.821 20 5 CFBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC[N+](=O)[O-] ZINC000929835046 623889813 /nfs/dbraw/zinc/88/98/13/623889813.db2.gz PFBDSEHCIYTWTF-CQSZACIVSA-N 1 1 250.342 2.606 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698726 624069637 /nfs/dbraw/zinc/06/96/37/624069637.db2.gz BNCCJTOSGRBCDT-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000919371287 624564120 /nfs/dbraw/zinc/56/41/20/624564120.db2.gz DEQDZRNFRRKCMQ-LLVKDONJSA-N 1 1 298.364 2.688 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527668 625041635 /nfs/dbraw/zinc/04/16/35/625041635.db2.gz GRRHHZPBEXGWEA-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000832084865 625220088 /nfs/dbraw/zinc/22/00/88/625220088.db2.gz OCMCBPWGGWBCNA-ZDUSSCGKSA-N 1 1 298.358 2.963 20 5 CFBDMO CC[N@@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000069797401 625223796 /nfs/dbraw/zinc/22/37/96/625223796.db2.gz CLAZMCPNOJABKQ-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922541332 626306874 /nfs/dbraw/zinc/30/68/74/626306874.db2.gz QYEQDSDLRLKVSR-LLVKDONJSA-N 1 1 286.335 2.588 20 5 CFBDMO CSCC[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068370 626482899 /nfs/dbraw/zinc/48/28/99/626482899.db2.gz WTSRELBTOMNMOK-JTQLQIEISA-N 1 1 269.370 2.563 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839512166 626538411 /nfs/dbraw/zinc/53/84/11/626538411.db2.gz JMLRIXWNJQFDCQ-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675457 626551853 /nfs/dbraw/zinc/55/18/53/626551853.db2.gz PJAVSFMAWWIPKH-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675457 626551854 /nfs/dbraw/zinc/55/18/54/626551854.db2.gz PJAVSFMAWWIPKH-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCC1 ZINC000757544346 626554929 /nfs/dbraw/zinc/55/49/29/626554929.db2.gz DYBGWKNDKUDIQT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCC1 ZINC000757544346 626554930 /nfs/dbraw/zinc/55/49/30/626554930.db2.gz DYBGWKNDKUDIQT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062304 627117032 /nfs/dbraw/zinc/11/70/32/627117032.db2.gz RDWQQCYBUFZVHH-CMPLNLGQSA-N 1 1 288.351 2.941 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765643668 627152479 /nfs/dbraw/zinc/15/24/79/627152479.db2.gz RDYFRJUDMVWPQO-QWRGUYRKSA-N 1 1 281.331 2.653 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766252496 627187723 /nfs/dbraw/zinc/18/77/23/627187723.db2.gz GEXXDDUWDHTNFV-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000767417381 627248912 /nfs/dbraw/zinc/24/89/12/627248912.db2.gz KHJKRERRBZAEAV-UHFFFAOYSA-N 1 1 288.347 2.928 20 5 CFBDMO CC1(C)C[NH+](Cn2nccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000767513604 627256783 /nfs/dbraw/zinc/25/67/83/627256783.db2.gz HPFNIPVFQSNDPN-UHFFFAOYSA-N 1 1 266.345 2.507 20 5 CFBDMO CO[C@H]1CC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869958 634565795 /nfs/dbraw/zinc/56/57/95/634565795.db2.gz WOJDZTGCIGPNBA-STQMWFEESA-N 1 1 276.336 2.520 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000770702389 627543322 /nfs/dbraw/zinc/54/33/22/627543322.db2.gz YPWYBMMHTWANEX-CQSZACIVSA-N 1 1 276.336 2.504 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000771234497 627586920 /nfs/dbraw/zinc/58/69/20/627586920.db2.gz SBNRKSCUVFRCLE-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627690 627943632 /nfs/dbraw/zinc/94/36/32/627943632.db2.gz RMMNTFXYPCYCAL-SECBINFHSA-N 1 1 294.742 2.897 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627690 627943635 /nfs/dbraw/zinc/94/36/35/627943635.db2.gz RMMNTFXYPCYCAL-SECBINFHSA-N 1 1 294.742 2.897 20 5 CFBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776272285 628125101 /nfs/dbraw/zinc/12/51/01/628125101.db2.gz SMCBPIBHEUBVHL-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273907 628125178 /nfs/dbraw/zinc/12/51/78/628125178.db2.gz BJGFAQLKQSXAPG-FZMZJTMJSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580598 628160626 /nfs/dbraw/zinc/16/06/26/628160626.db2.gz WVXBYBAHNOWVII-IUODEOHRSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776591360 628162490 /nfs/dbraw/zinc/16/24/90/628162490.db2.gz LNLXTMUWZWSCFJ-HNNXBMFYSA-N 1 1 278.352 2.891 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860968 628415234 /nfs/dbraw/zinc/41/52/34/628415234.db2.gz LKMVCCWAFZAZGY-AAEUAGOBSA-N 1 1 280.372 2.958 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980253 628594716 /nfs/dbraw/zinc/59/47/16/628594716.db2.gz FFQHFJLIVAFYIU-HOCLYGCPSA-N 1 1 292.379 2.996 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000782485534 628640833 /nfs/dbraw/zinc/64/08/33/628640833.db2.gz AVRXAXZBULKRFS-PELKAZGASA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000782485534 628640837 /nfs/dbraw/zinc/64/08/37/628640837.db2.gz AVRXAXZBULKRFS-PELKAZGASA-N 1 1 252.701 2.842 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000784007094 628761677 /nfs/dbraw/zinc/76/16/77/628761677.db2.gz IUIJRHHQTUNATO-JTQLQIEISA-N 1 1 280.372 2.734 20 5 CFBDMO Cc1nn(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000784007094 628761678 /nfs/dbraw/zinc/76/16/78/628761678.db2.gz IUIJRHHQTUNATO-JTQLQIEISA-N 1 1 280.372 2.734 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000784390500 628813230 /nfs/dbraw/zinc/81/32/30/628813230.db2.gz HLWXSAZNIAEKKM-CJNGLKHVSA-N 1 1 290.363 2.916 20 5 CFBDMO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801440 629101052 /nfs/dbraw/zinc/10/10/52/629101052.db2.gz ABFKLWCDSCCSRM-VIFPVBQESA-N 1 1 290.298 2.562 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566844 629166832 /nfs/dbraw/zinc/16/68/32/629166832.db2.gz OLCIJHCOXQVGOT-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053717 629284094 /nfs/dbraw/zinc/28/40/94/629284094.db2.gz NJXQGMRFOZMHRR-UHFFFAOYSA-N 1 1 256.733 2.827 20 5 CFBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852461004 634750027 /nfs/dbraw/zinc/75/00/27/634750027.db2.gz SKPXCCGJMLAIER-GASCZTMLSA-N 1 1 294.326 2.592 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000793817853 629597942 /nfs/dbraw/zinc/59/79/42/629597942.db2.gz BMNWGZRFJIIWLC-NSHDSACASA-N 1 1 274.324 2.695 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000793817853 629597946 /nfs/dbraw/zinc/59/79/46/629597946.db2.gz BMNWGZRFJIIWLC-NSHDSACASA-N 1 1 274.324 2.695 20 5 CFBDMO Cc1ccoc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169338 629742097 /nfs/dbraw/zinc/74/20/97/629742097.db2.gz NIDJCGQFBOGVBX-CQSZACIVSA-N 1 1 290.319 2.662 20 5 CFBDMO C[C@H]([NH2+]Cc1cnc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000799155717 630281040 /nfs/dbraw/zinc/28/10/40/630281040.db2.gz RURFTVFFLQIKLV-VIFPVBQESA-N 1 1 292.726 2.889 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000801520916 630452345 /nfs/dbraw/zinc/45/23/45/630452345.db2.gz KLHACFIEIHCQLK-JSGCOSHPSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546370 630456770 /nfs/dbraw/zinc/45/67/70/630456770.db2.gz KSOWMPDWERWFJZ-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546372 630456868 /nfs/dbraw/zinc/45/68/68/630456868.db2.gz KSOWMPDWERWFJZ-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000804504686 630688802 /nfs/dbraw/zinc/68/88/02/630688802.db2.gz QZPVVFIRVKOFRC-ZYHUDNBSSA-N 1 1 291.351 2.692 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000804504684 630688883 /nfs/dbraw/zinc/68/88/83/630688883.db2.gz QZPVVFIRVKOFRC-JQWIXIFHSA-N 1 1 291.351 2.692 20 5 CFBDMO COc1cc(CO[NH+]=C(N)C2CCCC2)ccc1[N+](=O)[O-] ZINC000809993627 631311157 /nfs/dbraw/zinc/31/11/57/631311157.db2.gz CUIDJAGDSYVSFT-UHFFFAOYSA-N 1 1 293.323 2.792 20 5 CFBDMO NC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000841086179 631334012 /nfs/dbraw/zinc/33/40/12/631334012.db2.gz FOTYGFMCCCFPIO-ZDUSSCGKSA-N 1 1 297.786 2.855 20 5 CFBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H]1C ZINC000841691354 631453129 /nfs/dbraw/zinc/45/31/29/631453129.db2.gz CHUFVZXUFDXXOW-WOPDTQHZSA-N 1 1 288.351 2.878 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811803261 631623641 /nfs/dbraw/zinc/62/36/41/631623641.db2.gz KBTDUOQKWNHFAE-LLVKDONJSA-N 1 1 293.367 2.940 20 5 CFBDMO [NH3+]CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843113624 631839032 /nfs/dbraw/zinc/83/90/32/631839032.db2.gz ZOKOGERWIZTVNH-LLVKDONJSA-N 1 1 297.786 2.809 20 5 CFBDMO CC[NH2+]Cc1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000843140769 631855532 /nfs/dbraw/zinc/85/55/32/631855532.db2.gz CZJZFGXUGAIVQQ-UHFFFAOYSA-N 1 1 290.323 2.878 20 5 CFBDMO CC(C)C[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218673 631901308 /nfs/dbraw/zinc/90/13/08/631901308.db2.gz BGPGJDGJYVMVDU-ZETCQYMHSA-N 1 1 282.325 2.752 20 5 CFBDMO Cc1c(-c2noc([C@@H]([NH3+])CC(F)F)n2)cccc1[N+](=O)[O-] ZINC000843238751 631910663 /nfs/dbraw/zinc/91/06/63/631910663.db2.gz XXOUZOXQZSEUPN-QMMMGPOBSA-N 1 1 298.249 2.608 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000814224638 632040877 /nfs/dbraw/zinc/04/08/77/632040877.db2.gz KYFRSGMKCRFDFV-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000814224638 632040881 /nfs/dbraw/zinc/04/08/81/632040881.db2.gz KYFRSGMKCRFDFV-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597918 632295722 /nfs/dbraw/zinc/29/57/22/632295722.db2.gz IVMYVDVGXLTZEA-VIFPVBQESA-N 1 1 290.298 2.562 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660796 632507354 /nfs/dbraw/zinc/50/73/54/632507354.db2.gz PSFNENNIJAXGRP-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000817292733 632596337 /nfs/dbraw/zinc/59/63/37/632596337.db2.gz VUQTZMWLOZYARP-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000817292733 632596339 /nfs/dbraw/zinc/59/63/39/632596339.db2.gz VUQTZMWLOZYARP-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848786263 633343163 /nfs/dbraw/zinc/34/31/63/633343163.db2.gz PXERXYGCOAVPAG-JSGCOSHPSA-N 1 1 290.367 2.606 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000848785627 633343308 /nfs/dbraw/zinc/34/33/08/633343308.db2.gz NMKRIOBZRGYUEJ-QWHCGFSZSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H]4C[C@H]4C3)c2)cc1 ZINC000853575223 635039341 /nfs/dbraw/zinc/03/93/41/635039341.db2.gz CCINFBMZRQEAPM-KBPBESRZSA-N 1 1 298.346 2.758 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000857864683 636038872 /nfs/dbraw/zinc/03/88/72/636038872.db2.gz JPOBLPPDXANDDP-ZDUSSCGKSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCCc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000857864683 636038876 /nfs/dbraw/zinc/03/88/76/636038876.db2.gz JPOBLPPDXANDDP-ZDUSSCGKSA-N 1 1 286.335 2.794 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(C)COC1 ZINC000862477842 637395862 /nfs/dbraw/zinc/39/58/62/637395862.db2.gz SFZYSTOXWVTNMR-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO COc1cccc(N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866113268 638744147 /nfs/dbraw/zinc/74/41/47/638744147.db2.gz XKWCFUVZBMDKEO-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000866540468 638838596 /nfs/dbraw/zinc/83/85/96/638838596.db2.gz OTEUQBILAICRJT-GFCCVEGCSA-N 1 1 288.351 2.796 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000866540606 638838739 /nfs/dbraw/zinc/83/87/39/638838739.db2.gz QWYFRBQMSPOOEP-ZDUSSCGKSA-N 1 1 286.335 2.724 20 5 CFBDMO Cc1cc(C)c(COC(=O)CCC(C)(C)[N+](=O)[O-])c(C)[nH+]1 ZINC000869530452 639281117 /nfs/dbraw/zinc/28/11/17/639281117.db2.gz PACSUSBARAFIST-UHFFFAOYSA-N 1 1 294.351 2.886 20 5 CFBDMO Cc1nn(C[N@H+](C)C2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000193394472 650650393 /nfs/dbraw/zinc/65/03/93/650650393.db2.gz OZAQSZLZMAJCDH-UHFFFAOYSA-N 1 1 280.372 2.876 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000871759359 641441894 /nfs/dbraw/zinc/44/18/94/641441894.db2.gz JHLGHVNWBNQMJT-GXSJLCMTSA-N 1 1 263.297 2.558 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872031689 641562013 /nfs/dbraw/zinc/56/20/13/641562013.db2.gz SVTXZGQCEZMICV-LLVKDONJSA-N 1 1 295.358 2.869 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872779612 641933180 /nfs/dbraw/zinc/93/31/80/641933180.db2.gz HFSWPQNVKDPZEN-GJZGRUSLSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000873129393 642022437 /nfs/dbraw/zinc/02/24/37/642022437.db2.gz OUVHHSHDCUGCLN-CYBMUJFWSA-N 1 1 286.335 2.643 20 5 CFBDMO COCCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876644764 642956434 /nfs/dbraw/zinc/95/64/34/642956434.db2.gz HKXIRRSUIJPORT-UHFFFAOYSA-N 1 1 266.341 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1(O)CCC1 ZINC000877345577 643244197 /nfs/dbraw/zinc/24/41/97/643244197.db2.gz HHAIGSNWJAJTGG-UHFFFAOYSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000877577573 643373860 /nfs/dbraw/zinc/37/38/60/643373860.db2.gz WWJBZISIYAAPHM-CQSZACIVSA-N 1 1 292.379 2.806 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000877604836 643391564 /nfs/dbraw/zinc/39/15/64/643391564.db2.gz HOTBEMLTPGGRDP-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000877604836 643391569 /nfs/dbraw/zinc/39/15/69/643391569.db2.gz HOTBEMLTPGGRDP-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000877604836 643391573 /nfs/dbraw/zinc/39/15/73/643391573.db2.gz HOTBEMLTPGGRDP-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000877640554 643425756 /nfs/dbraw/zinc/42/57/56/643425756.db2.gz OVQDSRQWFPGYHJ-MLGOLLRUSA-N 1 1 292.379 2.662 20 5 CFBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)CCC1(C)C ZINC000877700874 643463260 /nfs/dbraw/zinc/46/32/60/643463260.db2.gz GDXLIPFHZXCWLL-UHFFFAOYSA-N 1 1 283.397 2.572 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877736678 643495953 /nfs/dbraw/zinc/49/59/53/643495953.db2.gz ANAZOCNEWTWFDZ-QWHCGFSZSA-N 1 1 278.377 2.780 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877736875 643496944 /nfs/dbraw/zinc/49/69/44/643496944.db2.gz BKXPSTVIUOWOCS-QWHCGFSZSA-N 1 1 278.377 2.780 20 5 CFBDMO 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CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001228452359 776494956 /nfs/dbraw/zinc/49/49/56/776494956.db2.gz IKEXBDKGAXZNLG-GFCCVEGCSA-N 1 1 292.335 2.579 20 5 CFBDMO CC[NH+]1CC(Oc2cccc3nc4ccccc4nc32)C1 ZINC001228523125 776511774 /nfs/dbraw/zinc/51/17/74/776511774.db2.gz RLLPKBYLQLDBSE-UHFFFAOYSA-N 1 1 279.343 2.866 20 5 CFBDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228833867 776625779 /nfs/dbraw/zinc/62/57/79/776625779.db2.gz SUQGNHUBNKRLGR-CYBMUJFWSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC001228833418 776625985 /nfs/dbraw/zinc/62/59/85/776625985.db2.gz KVEZAKNOOFRFEM-JJLQDPRZSA-N 1 1 276.336 2.907 20 5 CFBDMO CC[N@@H+]1CCC[C@@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137344 776730429 /nfs/dbraw/zinc/73/04/29/776730429.db2.gz GBGZGVUWPLXAAV-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137344 776730437 /nfs/dbraw/zinc/73/04/37/776730437.db2.gz GBGZGVUWPLXAAV-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CC[C@H](OCc2cccc(C)c2[N+](=O)[O-])C1 ZINC001223660448 776745384 /nfs/dbraw/zinc/74/53/84/776745384.db2.gz DARYDNHKHWRNFM-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342931 776785188 /nfs/dbraw/zinc/78/51/88/776785188.db2.gz DKTGVCOZEZWUKH-CYBMUJFWSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396260 776800238 /nfs/dbraw/zinc/80/02/38/776800238.db2.gz RUQWIFGITNIOKL-GFCCVEGCSA-N 1 1 280.324 2.552 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396260 776800244 /nfs/dbraw/zinc/80/02/44/776800244.db2.gz RUQWIFGITNIOKL-GFCCVEGCSA-N 1 1 280.324 2.552 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229487765 776826911 /nfs/dbraw/zinc/82/69/11/776826911.db2.gz SQKHZAHQQXWYTO-LLVKDONJSA-N 1 1 291.307 2.599 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916877 776917872 /nfs/dbraw/zinc/91/78/72/776917872.db2.gz DJAQTCAEYZIAKH-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880179 777081266 /nfs/dbraw/zinc/08/12/66/777081266.db2.gz ZDVSUBXWYZIBOB-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000688104372 777382195 /nfs/dbraw/zinc/38/21/95/777382195.db2.gz AMSDXMZRSAUVHO-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000688104372 777382202 /nfs/dbraw/zinc/38/22/02/777382202.db2.gz AMSDXMZRSAUVHO-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO CC1(CO)C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219737 777479088 /nfs/dbraw/zinc/47/90/88/777479088.db2.gz ZQMUOZQXFHALIS-UHFFFAOYSA-N 1 1 293.370 2.597 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000721804295 777586013 /nfs/dbraw/zinc/58/60/13/777586013.db2.gz OCIQYKOFIHEANF-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO COC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000696585124 777588847 /nfs/dbraw/zinc/58/88/47/777588847.db2.gz QMSOZTAAYZWRHE-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000696585124 777588851 /nfs/dbraw/zinc/58/88/51/777588851.db2.gz QMSOZTAAYZWRHE-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234057579 778155361 /nfs/dbraw/zinc/15/53/61/778155361.db2.gz VZEYBEZPQFBQEE-JTQLQIEISA-N 1 1 268.288 2.515 20 5 CFBDMO C[N@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001162331143 780758444 /nfs/dbraw/zinc/75/84/44/780758444.db2.gz LULUMXPLUULUBT-GFCCVEGCSA-N 1 1 284.747 2.539 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000707137200 781226665 /nfs/dbraw/zinc/22/66/65/781226665.db2.gz FPWBVEPQKKQTPB-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000707157098 781227694 /nfs/dbraw/zinc/22/76/94/781227694.db2.gz UUXKPJDQBFOWPY-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000710153474 781329021 /nfs/dbraw/zinc/32/90/21/781329021.db2.gz KKPGUAHCEMWCCD-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO CN(CCCCCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000710693871 781335584 /nfs/dbraw/zinc/33/55/84/781335584.db2.gz NJHIRRUPGMVAEK-UHFFFAOYSA-N 1 1 283.347 2.685 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000594505490 349434222 /nfs/dbraw/zinc/43/42/22/349434222.db2.gz WRYRCMOCIMFPFB-SMDDNHRTSA-N 1 1 286.335 2.977 20 5 CFBDMO Cc1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599252 349456993 /nfs/dbraw/zinc/45/69/93/349456993.db2.gz INKCVVJLBUVZED-OLZOCXBDSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000594893492 349496032 /nfs/dbraw/zinc/49/60/32/349496032.db2.gz CJIZKONOKYJKFM-VIFPVBQESA-N 1 1 279.271 2.605 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000594896545 349497835 /nfs/dbraw/zinc/49/78/35/349497835.db2.gz ZFVUOLVKCUCWIM-TXEJJXNPSA-N 1 1 292.383 2.647 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594956593 349528681 /nfs/dbraw/zinc/52/86/81/349528681.db2.gz LROJOZWCGUJPCZ-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594956593 349528684 /nfs/dbraw/zinc/52/86/84/349528684.db2.gz LROJOZWCGUJPCZ-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067948939 346828996 /nfs/dbraw/zinc/82/89/96/346828996.db2.gz XJJUSRQBQKGSTG-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000595305214 349598391 /nfs/dbraw/zinc/59/83/91/349598391.db2.gz YRBWJESTDBOKPW-NSHDSACASA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291940 349592051 /nfs/dbraw/zinc/59/20/51/349592051.db2.gz YHQXQIKJHRHVLT-ONGXEEELSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595289989 349592534 /nfs/dbraw/zinc/59/25/34/349592534.db2.gz GOVCDVBDWRAZNQ-VIFPVBQESA-N 1 1 255.318 2.758 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595289989 349592536 /nfs/dbraw/zinc/59/25/36/349592536.db2.gz GOVCDVBDWRAZNQ-VIFPVBQESA-N 1 1 255.318 2.758 20 5 CFBDMO C[NH+](C)CC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298832 349596013 /nfs/dbraw/zinc/59/60/13/349596013.db2.gz SYZHFRZJKBTLFM-UHFFFAOYSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595348298 349609155 /nfs/dbraw/zinc/60/91/55/349609155.db2.gz QTQQYPPQMMQPSR-FZMZJTMJSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)=CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370194 349611288 /nfs/dbraw/zinc/61/12/88/349611288.db2.gz DHGJBGBPKHVWSL-CYBMUJFWSA-N 1 1 290.367 2.832 20 5 CFBDMO CCc1nocc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595417059 349618797 /nfs/dbraw/zinc/61/87/97/349618797.db2.gz XTNCPPUUPYZKFH-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442292 349627990 /nfs/dbraw/zinc/62/79/90/349627990.db2.gz REUTUEYTFWSZRT-WPRPVWTQSA-N 1 1 253.302 2.512 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000595473738 349637485 /nfs/dbraw/zinc/63/74/85/349637485.db2.gz BGOZTBLLEFQUQC-UKRRQHHQSA-N 1 1 294.326 2.877 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595473219 349637788 /nfs/dbraw/zinc/63/77/88/349637788.db2.gz UYCPWBASKOPCAP-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595473219 349637789 /nfs/dbraw/zinc/63/77/89/349637789.db2.gz UYCPWBASKOPCAP-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1COC(C)(C)C1 ZINC000595476774 349638407 /nfs/dbraw/zinc/63/84/07/349638407.db2.gz PCTWUWIWFVUYPM-CQSZACIVSA-N 1 1 278.352 2.637 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595519724 349649211 /nfs/dbraw/zinc/64/92/11/349649211.db2.gz BTVBBLCXINZPMC-NHYWBVRUSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595502580 349643370 /nfs/dbraw/zinc/64/33/70/349643370.db2.gz ZUBLZKUCHJOYJG-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000125647974 187194366 /nfs/dbraw/zinc/19/43/66/187194366.db2.gz AWTRHTHWCHKBID-UHFFFAOYSA-N 1 1 294.351 2.844 20 5 CFBDMO CC(C)[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000068916415 346876468 /nfs/dbraw/zinc/87/64/68/346876468.db2.gz VXMLGTSAABMSBL-UHFFFAOYSA-N 1 1 281.331 2.654 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000069142623 346883640 /nfs/dbraw/zinc/88/36/40/346883640.db2.gz WWBFDVGZOFFKCJ-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536846 349653890 /nfs/dbraw/zinc/65/38/90/349653890.db2.gz VRJSAEPDWVVTLF-GFCCVEGCSA-N 1 1 295.358 2.650 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536847 349654019 /nfs/dbraw/zinc/65/40/19/349654019.db2.gz VRJSAEPDWVVTLF-LBPRGKRZSA-N 1 1 295.358 2.650 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000595545876 349656549 /nfs/dbraw/zinc/65/65/49/349656549.db2.gz KVJOQZWMBUDWBG-GFCCVEGCSA-N 1 1 296.342 2.718 20 5 CFBDMO Cc1noc(C[NH+]2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000595614108 349677091 /nfs/dbraw/zinc/67/70/91/349677091.db2.gz FNZSJVZXXQNYSH-UHFFFAOYSA-N 1 1 291.307 2.864 20 5 CFBDMO C[C@]1(C2CC2)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616772 349677500 /nfs/dbraw/zinc/67/75/00/349677500.db2.gz CJZGABUUWWKMKV-MRXNPFEDSA-N 1 1 290.363 2.638 20 5 CFBDMO Cc1c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619055 349678671 /nfs/dbraw/zinc/67/86/71/349678671.db2.gz ZALKJMUHBGKTDB-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619055 349678674 /nfs/dbraw/zinc/67/86/74/349678674.db2.gz ZALKJMUHBGKTDB-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595632843 349683860 /nfs/dbraw/zinc/68/38/60/349683860.db2.gz JHXVCGBXVUSOKA-FQUUOJAGSA-N 1 1 290.363 2.749 20 5 CFBDMO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000595669247 349694959 /nfs/dbraw/zinc/69/49/59/349694959.db2.gz ULNWLSBARLASJI-JTQLQIEISA-N 1 1 293.348 2.781 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670679 349695505 /nfs/dbraw/zinc/69/55/05/349695505.db2.gz IFPCCFIVJYJFNP-GXTWGEPZSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679747 349697874 /nfs/dbraw/zinc/69/78/74/349697874.db2.gz XNNGAZZDUZFDKU-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744611 349721869 /nfs/dbraw/zinc/72/18/69/349721869.db2.gz KUSPNYUHNHQCIL-OZTPJHRESA-N 1 1 278.352 2.605 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755812 349723805 /nfs/dbraw/zinc/72/38/05/349723805.db2.gz CYNODQCANAIEQZ-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755812 349723806 /nfs/dbraw/zinc/72/38/06/349723806.db2.gz CYNODQCANAIEQZ-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704780 349710941 /nfs/dbraw/zinc/71/09/41/349710941.db2.gz VJTDFGRZERUMKZ-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704835 349711297 /nfs/dbraw/zinc/71/12/97/349711297.db2.gz WGADBNNMTZYUNR-WFASDCNBSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595764548 349727401 /nfs/dbraw/zinc/72/74/01/349727401.db2.gz BGBMFRZBZRYBJD-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595764548 349727406 /nfs/dbraw/zinc/72/74/06/349727406.db2.gz BGBMFRZBZRYBJD-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141686 349806658 /nfs/dbraw/zinc/80/66/58/349806658.db2.gz JGACYMCAKLZVJY-LLVKDONJSA-N 1 1 283.397 2.743 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295019740 199303110 /nfs/dbraw/zinc/30/31/10/199303110.db2.gz KMGHJLMZJLXSAP-LBPRGKRZSA-N 1 1 252.339 2.532 20 5 CFBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)CC12CCCCC2 ZINC000596250611 349840520 /nfs/dbraw/zinc/84/05/20/349840520.db2.gz IJDAEQJBZGRGTK-UHFFFAOYSA-N 1 1 296.396 2.506 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000219298889 539364066 /nfs/dbraw/zinc/36/40/66/539364066.db2.gz KDFLBEGQSNNZFR-KBPBESRZSA-N 1 1 275.352 2.942 20 5 CFBDMO COCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127124954 187284763 /nfs/dbraw/zinc/28/47/63/187284763.db2.gz SEYFHODUSBVAKU-UHFFFAOYSA-N 1 1 290.319 2.933 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000413450749 530055033 /nfs/dbraw/zinc/05/50/33/530055033.db2.gz YXSTZZDWVWJVFH-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC000295122314 199357475 /nfs/dbraw/zinc/35/74/75/199357475.db2.gz WTBKKEAXBXSOHS-UHFFFAOYSA-N 1 1 297.286 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000037404415 346329567 /nfs/dbraw/zinc/32/95/67/346329567.db2.gz YQQIAJVWIZJNKZ-SNVBAGLBSA-N 1 1 279.315 2.630 20 5 CFBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000046600488 346429784 /nfs/dbraw/zinc/42/97/84/346429784.db2.gz JPWCVRCTLBETPL-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000046783001 346434090 /nfs/dbraw/zinc/43/40/90/346434090.db2.gz AREZOUYUEGLIHL-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053363836 346543683 /nfs/dbraw/zinc/54/36/83/346543683.db2.gz LOULLXJBFISKCN-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053376397 346544395 /nfs/dbraw/zinc/54/43/95/346544395.db2.gz FZUBQFACNXYAJV-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000060452628 346666068 /nfs/dbraw/zinc/66/60/68/346666068.db2.gz UYTXUZDHVXKGLT-LLVKDONJSA-N 1 1 267.304 2.630 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076402649 347136662 /nfs/dbraw/zinc/13/66/62/347136662.db2.gz BLZMMBCFLUREEW-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076402649 347136667 /nfs/dbraw/zinc/13/66/67/347136667.db2.gz BLZMMBCFLUREEW-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404428 347136882 /nfs/dbraw/zinc/13/68/82/347136882.db2.gz FSTAGPONJBWXNA-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000076871940 347157644 /nfs/dbraw/zinc/15/76/44/347157644.db2.gz GXXBLUCTCWDWBX-UHFFFAOYSA-N 1 1 292.383 2.546 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000078246730 347233669 /nfs/dbraw/zinc/23/36/69/347233669.db2.gz BMRHFPGZPYBVTI-OAHLLOKOSA-N 1 1 298.346 2.676 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000080599706 347368644 /nfs/dbraw/zinc/36/86/44/347368644.db2.gz AWHWKYJOFDZNBS-UHFFFAOYSA-N 1 1 292.383 2.975 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000080638409 347371012 /nfs/dbraw/zinc/37/10/12/347371012.db2.gz NXCFQLFFCVALEP-UHFFFAOYSA-N 1 1 295.383 2.885 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000080920680 347384945 /nfs/dbraw/zinc/38/49/45/347384945.db2.gz SJPDQXOFGKDDSA-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000080920680 347384948 /nfs/dbraw/zinc/38/49/48/347384948.db2.gz SJPDQXOFGKDDSA-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083207734 347449534 /nfs/dbraw/zinc/44/95/34/347449534.db2.gz VLVNFKNYPLRKHE-VHSXEESVSA-N 1 1 275.308 2.966 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000092764008 347645647 /nfs/dbraw/zinc/64/56/47/347645647.db2.gz NMHFWVZTLXWEEQ-ZDUSSCGKSA-N 1 1 278.352 2.532 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000093503012 347677971 /nfs/dbraw/zinc/67/79/71/347677971.db2.gz MJGXMRQFBOSNOO-SOFGYWHQSA-N 1 1 290.363 2.845 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000093821820 347684783 /nfs/dbraw/zinc/68/47/83/347684783.db2.gz OHSQICVNSBDSIH-HEWZJLJBSA-N 1 1 292.379 2.947 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000140823346 347928212 /nfs/dbraw/zinc/92/82/12/347928212.db2.gz PEVFMUNFPTYZQM-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCCC[C@H]1CO ZINC000157004753 347998031 /nfs/dbraw/zinc/99/80/31/347998031.db2.gz JRUSSWQJPCGHSQ-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000157004753 347998034 /nfs/dbraw/zinc/99/80/34/347998034.db2.gz JRUSSWQJPCGHSQ-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000158664671 348008067 /nfs/dbraw/zinc/00/80/67/348008067.db2.gz JPJHBOGYOPAHPM-LLVKDONJSA-N 1 1 261.325 2.552 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000159303284 348012447 /nfs/dbraw/zinc/01/24/47/348012447.db2.gz MMVLJMPYEPJSHI-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO C[C@@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000169254927 348050860 /nfs/dbraw/zinc/05/08/60/348050860.db2.gz QMTQPPFREGZCCM-AWEZNQCLSA-N 1 1 292.360 2.654 20 5 CFBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255162923 348302917 /nfs/dbraw/zinc/30/29/17/348302917.db2.gz HMHWXKIOJPIKMA-LLPBQKLSSA-N 1 1 276.336 2.719 20 5 CFBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000413068988 233014079 /nfs/dbraw/zinc/01/40/79/233014079.db2.gz HBHGVRLDAFBAIJ-GFCCVEGCSA-N 1 1 298.346 2.792 20 5 CFBDMO Cn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000315676620 348429840 /nfs/dbraw/zinc/42/98/40/348429840.db2.gz AQVITYZLZBVEKY-UHFFFAOYSA-N 1 1 296.330 2.771 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000402589434 348582255 /nfs/dbraw/zinc/58/22/55/348582255.db2.gz KFKJGSGZOFOBND-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000402589434 348582256 /nfs/dbraw/zinc/58/22/56/348582256.db2.gz KFKJGSGZOFOBND-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000585754709 348743315 /nfs/dbraw/zinc/74/33/15/348743315.db2.gz WAYKRSWOBVIJKV-UHFFFAOYSA-N 1 1 288.351 2.658 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206573 348819925 /nfs/dbraw/zinc/81/99/25/348819925.db2.gz ZNNAXABEMLFJJJ-XHDPSFHLSA-N 1 1 295.358 2.506 20 5 CFBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877290 348862545 /nfs/dbraw/zinc/86/25/45/348862545.db2.gz ASVFRCWWZRJXGY-NSHDSACASA-N 1 1 295.408 2.967 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972117 348975578 /nfs/dbraw/zinc/97/55/78/348975578.db2.gz CAJXUSIXGMFVPY-JIVAZCRISA-N 1 1 288.347 2.719 20 5 CFBDMO CC(C)c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591278584 349005977 /nfs/dbraw/zinc/00/59/77/349005977.db2.gz UDPYAUMVAMWGAG-AWEZNQCLSA-N 1 1 291.395 2.950 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)c(F)c1 ZINC000591480127 349026300 /nfs/dbraw/zinc/02/63/00/349026300.db2.gz QWBWQPBSVRBWFK-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c(F)c1 ZINC000591480127 349026306 /nfs/dbraw/zinc/02/63/06/349026306.db2.gz QWBWQPBSVRBWFK-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1c([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591578239 349032204 /nfs/dbraw/zinc/03/22/04/349032204.db2.gz DVUVURYFOYLHHC-CHWSQXEVSA-N 1 1 277.368 2.696 20 5 CFBDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182145 349095858 /nfs/dbraw/zinc/09/58/58/349095858.db2.gz KEYHXIBCOCVOKO-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C)C1 ZINC000592520748 349131891 /nfs/dbraw/zinc/13/18/91/349131891.db2.gz QRTMRZBSPHRDJU-AWEZNQCLSA-N 1 1 295.358 2.650 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592521267 349132627 /nfs/dbraw/zinc/13/26/27/349132627.db2.gz ZDXSQAPHQSKFHW-OAHLLOKOSA-N 1 1 277.368 2.511 20 5 CFBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592521267 349132630 /nfs/dbraw/zinc/13/26/30/349132630.db2.gz ZDXSQAPHQSKFHW-OAHLLOKOSA-N 1 1 277.368 2.511 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592521267 349132634 /nfs/dbraw/zinc/13/26/34/349132634.db2.gz ZDXSQAPHQSKFHW-OAHLLOKOSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2C3CCC2CC3)c2c(c1)COCO2 ZINC000592570769 349138082 /nfs/dbraw/zinc/13/80/82/349138082.db2.gz QQXZPMLCEXGXFR-UHFFFAOYSA-N 1 1 290.319 2.588 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC23CCCC3)c1 ZINC000593038402 349191703 /nfs/dbraw/zinc/19/17/03/349191703.db2.gz IUYPZIHNPYHCPQ-UHFFFAOYSA-N 1 1 276.336 2.992 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000593067739 349200300 /nfs/dbraw/zinc/20/03/00/349200300.db2.gz JYYBYTDRGCKGTO-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593068145 349200369 /nfs/dbraw/zinc/20/03/69/349200369.db2.gz MULJXINZCGRUJC-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000593645357 349303074 /nfs/dbraw/zinc/30/30/74/349303074.db2.gz HWUABQXFJRWMOH-UHFFFAOYSA-N 1 1 279.384 2.662 20 5 CFBDMO C[NH2+]Cc1ccccc1CNCc1ccccc1[N+](=O)[O-] ZINC000593319305 349246847 /nfs/dbraw/zinc/24/68/47/349246847.db2.gz URJKLYPCGBGNHD-UHFFFAOYSA-N 1 1 285.347 2.604 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000593983741 349345311 /nfs/dbraw/zinc/34/53/11/349345311.db2.gz HFGKINQUGKJKBD-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(F)cn1 ZINC000594502635 349433193 /nfs/dbraw/zinc/43/31/93/349433193.db2.gz MJCGVKYDVROYMY-AWEZNQCLSA-N 1 1 287.294 2.906 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597209847 350056610 /nfs/dbraw/zinc/05/66/10/350056610.db2.gz DLICWMRBCKYKKC-DURLZJIISA-N 1 1 288.347 2.576 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597209846 350057271 /nfs/dbraw/zinc/05/72/71/350057271.db2.gz DLICWMRBCKYKKC-CXFYGJIZSA-N 1 1 288.347 2.576 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231703 350065684 /nfs/dbraw/zinc/06/56/84/350065684.db2.gz PSAJTAOHMFFBJY-SUXDSQMHSA-N 1 1 288.347 2.576 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414589535 233299693 /nfs/dbraw/zinc/29/96/93/233299693.db2.gz WZPYWCYHFRBKIL-YFOKADDASA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000091485412 180167168 /nfs/dbraw/zinc/16/71/68/180167168.db2.gz QVVQWWPFMFMRKN-CMPLNLGQSA-N 1 1 261.325 2.632 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414910965 233397567 /nfs/dbraw/zinc/39/75/67/233397567.db2.gz CXNQQBORXFQLKA-UMVBOHGHSA-N 1 1 291.395 2.504 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000598645256 350300694 /nfs/dbraw/zinc/30/06/94/350300694.db2.gz BWONHQXHDYFWDO-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000598645256 350300697 /nfs/dbraw/zinc/30/06/97/350300697.db2.gz BWONHQXHDYFWDO-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648328 350301579 /nfs/dbraw/zinc/30/15/79/350301579.db2.gz GEEBVHIFKVWFBG-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648328 350301582 /nfs/dbraw/zinc/30/15/82/350301582.db2.gz GEEBVHIFKVWFBG-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599139410 350383129 /nfs/dbraw/zinc/38/31/29/350383129.db2.gz NWALNOUJMZPAML-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO COCCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599507287 350448151 /nfs/dbraw/zinc/44/81/51/350448151.db2.gz RPEQXMMMLCAFPP-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000599672568 350477223 /nfs/dbraw/zinc/47/72/23/350477223.db2.gz GMYFLKUWCQVQGI-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000092407210 180380380 /nfs/dbraw/zinc/38/03/80/180380380.db2.gz NTGQDMORTDIYCB-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000600198345 350537630 /nfs/dbraw/zinc/53/76/30/350537630.db2.gz VPOKJNHTXABMGI-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO O=[N+]([O-])c1ccc(CCn2cc[nH+]c2C2CC2)cc1 ZINC000600611262 350580249 /nfs/dbraw/zinc/58/02/49/350580249.db2.gz ORFHLTAPXLJZMW-UHFFFAOYSA-N 1 1 257.293 2.911 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680012 350596480 /nfs/dbraw/zinc/59/64/80/350596480.db2.gz QYWZQZICECNODV-IPYPFGDCSA-N 1 1 291.395 2.646 20 5 CFBDMO O=[N+]([O-])c1sccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000601116038 350672620 /nfs/dbraw/zinc/67/26/20/350672620.db2.gz MZVRDDOASBLEMD-JTQLQIEISA-N 1 1 267.354 2.553 20 5 CFBDMO C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601110617 350670598 /nfs/dbraw/zinc/67/05/98/350670598.db2.gz HCJYSDOPWWAAIP-SNVBAGLBSA-N 1 1 257.293 2.989 20 5 CFBDMO C[C@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000601127502 350675992 /nfs/dbraw/zinc/67/59/92/350675992.db2.gz HWUGPMMPYJJXPP-OAHLLOKOSA-N 1 1 287.319 2.546 20 5 CFBDMO CCOCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136285 350679066 /nfs/dbraw/zinc/67/90/66/350679066.db2.gz CDAWRYOSMSWALS-UHFFFAOYSA-N 1 1 275.308 2.616 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111273847 186385100 /nfs/dbraw/zinc/38/51/00/186385100.db2.gz FFMVUJCESNRCKQ-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111273847 186385101 /nfs/dbraw/zinc/38/51/01/186385101.db2.gz FFMVUJCESNRCKQ-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111295909 186392459 /nfs/dbraw/zinc/39/24/59/186392459.db2.gz BVNXESSDAPFRQX-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481242 350901110 /nfs/dbraw/zinc/90/11/10/350901110.db2.gz CGNOBKHWEIEQKF-DGCLKSJQSA-N 1 1 280.372 2.729 20 5 CFBDMO CC[C@](C)(C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441257 350883272 /nfs/dbraw/zinc/88/32/72/350883272.db2.gz WLWFJMRBJRDKMC-CQSZACIVSA-N 1 1 266.341 2.842 20 5 CFBDMO CC(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602443640 350885326 /nfs/dbraw/zinc/88/53/26/350885326.db2.gz HACQZTHRYLXFQO-UHFFFAOYSA-N 1 1 280.372 2.729 20 5 CFBDMO CC1(C)SC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651893 350961842 /nfs/dbraw/zinc/96/18/42/350961842.db2.gz HIWXJXVKUZVKJA-NSHDSACASA-N 1 1 293.348 2.720 20 5 CFBDMO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602670092 350969562 /nfs/dbraw/zinc/96/95/62/350969562.db2.gz AEJHOMLWWGDQCM-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1cccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602670092 350969567 /nfs/dbraw/zinc/96/95/67/350969567.db2.gz 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Cn1cc(C[N@H+]2CC[C@]2(C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000603029251 351092049 /nfs/dbraw/zinc/09/20/49/351092049.db2.gz METDJQLNMYOBAE-OAHLLOKOSA-N 1 1 292.383 2.873 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccccc1[N+](=O)[O-] ZINC000603598549 351174899 /nfs/dbraw/zinc/17/48/99/351174899.db2.gz KMZXOGOTUFCFOJ-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603871516 351188223 /nfs/dbraw/zinc/18/82/23/351188223.db2.gz NWWNJBGQRLNYNC-UHFFFAOYSA-N 1 1 292.383 2.546 20 5 CFBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000604304905 351205361 /nfs/dbraw/zinc/20/53/61/351205361.db2.gz LAHWXONTLUIYLX-LLVKDONJSA-N 1 1 298.364 2.574 20 5 CFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000604304905 351205364 /nfs/dbraw/zinc/20/53/64/351205364.db2.gz LAHWXONTLUIYLX-LLVKDONJSA-N 1 1 298.364 2.574 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000604409245 351211521 /nfs/dbraw/zinc/21/15/21/351211521.db2.gz IIETXWHBKJCUQV-UWVGGRQHSA-N 1 1 267.354 2.695 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433482 351212554 /nfs/dbraw/zinc/21/25/54/351212554.db2.gz LNHSGCXHXVJPNH-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000609893408 351527045 /nfs/dbraw/zinc/52/70/45/351527045.db2.gz MDRJRHPHLHJFKI-SNVBAGLBSA-N 1 1 296.758 2.539 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133297 351535966 /nfs/dbraw/zinc/53/59/66/351535966.db2.gz BOSMICVGOUJZAO-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000610282718 351549453 /nfs/dbraw/zinc/54/94/53/351549453.db2.gz JLNIXPALMCKOOL-NSHDSACASA-N 1 1 283.397 2.967 20 5 CFBDMO Cc1ccnc(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609669810 351514991 /nfs/dbraw/zinc/51/49/91/351514991.db2.gz IWYVYKGWLGGUFS-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179550 351648638 /nfs/dbraw/zinc/64/86/38/351648638.db2.gz DWVNDMSUKKWCHV-QMMMGPOBSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179550 351648642 /nfs/dbraw/zinc/64/86/42/351648642.db2.gz DWVNDMSUKKWCHV-QMMMGPOBSA-N 1 1 274.242 2.821 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1sccc1[N+](=O)[O-] ZINC000611412542 351685797 /nfs/dbraw/zinc/68/57/97/351685797.db2.gz BQSHRRMCTMKDER-UHFFFAOYSA-N 1 1 266.326 2.663 20 5 CFBDMO Cn1cc(C[N@@H+]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611521206 351703488 /nfs/dbraw/zinc/70/34/88/351703488.db2.gz VQHCUVKRIACEQN-UHFFFAOYSA-N 1 1 298.346 2.757 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612134139 351778892 /nfs/dbraw/zinc/77/88/92/351778892.db2.gz KZJPOAUJUNTUCE-GVAFMPQTSA-N 1 1 290.363 2.667 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000611983989 351758448 /nfs/dbraw/zinc/75/84/48/351758448.db2.gz BGVGYKBIXVRAIJ-UHFFFAOYSA-N 1 1 276.336 2.516 20 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/nfs/dbraw/zinc/02/23/15/353022315.db2.gz VWHLUWKZTDNWHN-UHFFFAOYSA-N 1 1 294.351 2.700 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152808899 188045633 /nfs/dbraw/zinc/04/56/33/188045633.db2.gz XXSDKTMVUCKWMU-ZDUSSCGKSA-N 1 1 279.384 2.896 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000154135569 188125016 /nfs/dbraw/zinc/12/50/16/188125016.db2.gz HUFHHFQNJLRHSW-MRXNPFEDSA-N 1 1 284.315 2.644 20 5 CFBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271876728 191384829 /nfs/dbraw/zinc/38/48/29/191384829.db2.gz UCEMSRVAMUEGRV-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272540603 191776829 /nfs/dbraw/zinc/77/68/29/191776829.db2.gz PBCFVYHAVSUHLJ-CQSZACIVSA-N 1 1 288.351 2.807 20 5 CFBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000272991480 192010615 /nfs/dbraw/zinc/01/06/15/192010615.db2.gz QEFPZOFKVDUYIX-SECBINFHSA-N 1 1 296.758 2.706 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106430 283160875 /nfs/dbraw/zinc/16/08/75/283160875.db2.gz VFTYPKFVICRPGH-FZMZJTMJSA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817556 283160922 /nfs/dbraw/zinc/16/09/22/283160922.db2.gz MQZNIRAXWALJOB-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293888264 198812420 /nfs/dbraw/zinc/81/24/20/198812420.db2.gz ZAHVPCIMSNSAFR-SECBINFHSA-N 1 1 292.364 2.914 20 5 CFBDMO Cc1c([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423221839 238286382 /nfs/dbraw/zinc/28/63/82/238286382.db2.gz YJRCWXQZIJTSAT-IHRRRGAJSA-N 1 1 291.395 2.942 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423346301 238397109 /nfs/dbraw/zinc/39/71/09/238397109.db2.gz ZSJZEHACFUJNJU-CJNGLKHVSA-N 1 1 291.395 2.944 20 5 CFBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301414666 201000911 /nfs/dbraw/zinc/00/09/11/201000911.db2.gz BBAXXLWWWBPLCB-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cnc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301463231 201017443 /nfs/dbraw/zinc/01/74/43/201017443.db2.gz VNXIIANMHRNIKO-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000301527552 201047934 /nfs/dbraw/zinc/04/79/34/201047934.db2.gz IKLDUTFKCZWYKJ-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301635560 201107129 /nfs/dbraw/zinc/10/71/29/201107129.db2.gz DZJRDZQHKLOHIA-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662013 201122576 /nfs/dbraw/zinc/12/25/76/201122576.db2.gz UVMOJBRJBXWGKL-NWDGAFQWSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426461165 239224416 /nfs/dbraw/zinc/22/44/16/239224416.db2.gz PJAKPOIAVIBFCB-QWHCGFSZSA-N 1 1 276.336 2.848 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187627588 189471909 /nfs/dbraw/zinc/47/19/09/189471909.db2.gz TYPMJLJNVSESPP-ZDUSSCGKSA-N 1 1 284.381 2.641 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187627588 189471910 /nfs/dbraw/zinc/47/19/10/189471910.db2.gz TYPMJLJNVSESPP-ZDUSSCGKSA-N 1 1 284.381 2.641 20 5 CFBDMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275486270 193055300 /nfs/dbraw/zinc/05/53/00/193055300.db2.gz OYKPGZBBWXOWJI-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275486270 193055301 /nfs/dbraw/zinc/05/53/01/193055301.db2.gz OYKPGZBBWXOWJI-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000443775004 241086482 /nfs/dbraw/zinc/08/64/82/241086482.db2.gz AYEGSESZYVYFNS-RBOXIYTFSA-N 1 1 292.379 2.885 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443793705 241089127 /nfs/dbraw/zinc/08/91/27/241089127.db2.gz YIRACXHQPBWVOH-DETPVDSQSA-N 1 1 292.379 2.885 20 5 CFBDMO CCC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444594659 241152048 /nfs/dbraw/zinc/15/20/48/241152048.db2.gz KJACRUFINSEIAP-UHFFFAOYSA-N 1 1 262.313 2.703 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000444650755 241161903 /nfs/dbraw/zinc/16/19/03/241161903.db2.gz NGWPYTXTHWALCM-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000444230606 241127673 /nfs/dbraw/zinc/12/76/73/241127673.db2.gz ZCYXVNNWJJCPKU-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446072140 241272153 /nfs/dbraw/zinc/27/21/53/241272153.db2.gz LNVFLFCYVDFQCH-DRZSPHRISA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446072140 241272156 /nfs/dbraw/zinc/27/21/56/241272156.db2.gz LNVFLFCYVDFQCH-DRZSPHRISA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446072142 241272248 /nfs/dbraw/zinc/27/22/48/241272248.db2.gz LNVFLFCYVDFQCH-UHTWSYAYSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446072142 241272249 /nfs/dbraw/zinc/27/22/49/241272249.db2.gz LNVFLFCYVDFQCH-UHTWSYAYSA-N 1 1 278.352 2.901 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cs1 ZINC000449552886 242025035 /nfs/dbraw/zinc/02/50/35/242025035.db2.gz KGOQTCMFTKZVIP-JHJVBQTASA-N 1 1 296.392 2.639 20 5 CFBDMO CC(C)c1ccc(CNC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000449558315 242029386 /nfs/dbraw/zinc/02/93/86/242029386.db2.gz WXJZXWYDHCUIET-LBPRGKRZSA-N 1 1 279.384 2.758 20 5 CFBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449563608 242034997 /nfs/dbraw/zinc/03/49/97/242034997.db2.gz WVPFVGUIMTUTGR-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781007 242155753 /nfs/dbraw/zinc/15/57/53/242155753.db2.gz WNGCDDIRTKHDAJ-CQSZACIVSA-N 1 1 278.352 2.843 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000449781736 242160373 /nfs/dbraw/zinc/16/03/73/242160373.db2.gz JLOYWBZCZQVRSC-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CC1(C)CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449781736 242160377 /nfs/dbraw/zinc/16/03/77/242160377.db2.gz JLOYWBZCZQVRSC-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450273204 242335379 /nfs/dbraw/zinc/33/53/79/242335379.db2.gz AYRLQPMBJNQZQO-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H](O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548470 242882481 /nfs/dbraw/zinc/88/24/81/242882481.db2.gz NMMRYFZUOBHWOP-JSGCOSHPSA-N 1 1 278.352 2.545 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330691288 203121934 /nfs/dbraw/zinc/12/19/34/203121934.db2.gz BCJICWUEUQNCJX-CABCVRRESA-N 1 1 292.379 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000276319162 193286392 /nfs/dbraw/zinc/28/63/92/193286392.db2.gz ODONFVVYUXVGDU-LBPRGKRZSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956038 245376171 /nfs/dbraw/zinc/37/61/71/245376171.db2.gz GNQYMFAUVXTJPU-QMTHXVAHSA-N 1 1 293.342 2.937 20 5 CFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023991620 372268474 /nfs/dbraw/zinc/26/84/74/372268474.db2.gz DBFSQGREOMPROF-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000027110342 372335572 /nfs/dbraw/zinc/33/55/72/372335572.db2.gz NYTSGQGHNKZLKO-UHFFFAOYSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648975 372685090 /nfs/dbraw/zinc/68/50/90/372685090.db2.gz WGFMZHYTQZWONB-QWHCGFSZSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648975 372685098 /nfs/dbraw/zinc/68/50/98/372685098.db2.gz WGFMZHYTQZWONB-QWHCGFSZSA-N 1 1 289.379 2.730 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037653862 372687313 /nfs/dbraw/zinc/68/73/13/372687313.db2.gz RJLLJODBMBXJAI-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000048336920 373164920 /nfs/dbraw/zinc/16/49/20/373164920.db2.gz XHQPNVFOJJIBBH-ZIAGYGMSSA-N 1 1 279.315 2.773 20 5 CFBDMO Cc1cc(NCc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000048337342 373165868 /nfs/dbraw/zinc/16/58/68/373165868.db2.gz HZBKFEWCCSPTCO-UHFFFAOYSA-N 1 1 258.281 2.614 20 5 CFBDMO CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480656 373304727 /nfs/dbraw/zinc/30/47/27/373304727.db2.gz AHAPVMSFKZVMAX-UHFFFAOYSA-N 1 1 285.731 2.529 20 5 CFBDMO COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000049948539 373335481 /nfs/dbraw/zinc/33/54/81/373335481.db2.gz HOCTZUVOFCCCRR-UHFFFAOYSA-N 1 1 276.292 2.795 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000053361041 373473673 /nfs/dbraw/zinc/47/36/73/373473673.db2.gz CVLOQIVCDUUYFS-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000057625174 373604805 /nfs/dbraw/zinc/60/48/05/373604805.db2.gz ZEBUZGMLRWUJBG-UHFFFAOYSA-N 1 1 288.332 2.594 20 5 CFBDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417568 383693988 /nfs/dbraw/zinc/69/39/88/383693988.db2.gz RRRUFWMCACTAMP-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417568 383693993 /nfs/dbraw/zinc/69/39/93/383693993.db2.gz RRRUFWMCACTAMP-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417568 383693997 /nfs/dbraw/zinc/69/39/97/383693997.db2.gz RRRUFWMCACTAMP-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000060942090 373708171 /nfs/dbraw/zinc/70/81/71/373708171.db2.gz MNOLTCCDIGKANE-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000065586796 373889902 /nfs/dbraw/zinc/88/99/02/373889902.db2.gz HSRKZSXAHAIOAT-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065961473 373907192 /nfs/dbraw/zinc/90/71/92/373907192.db2.gz RDWUPOSFMJVKPL-UHFFFAOYSA-N 1 1 290.323 2.733 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069081646 374045137 /nfs/dbraw/zinc/04/51/37/374045137.db2.gz PCVRLIWUWHBOCU-UHFFFAOYSA-N 1 1 283.397 2.572 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000070015018 374116448 /nfs/dbraw/zinc/11/64/48/374116448.db2.gz JOTNVBQCKGNVQT-UHFFFAOYSA-N 1 1 292.335 2.693 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000070479245 374187994 /nfs/dbraw/zinc/18/79/94/374187994.db2.gz OYCCOTVUMVZFKH-MNOVXSKESA-N 1 1 272.308 2.797 20 5 CFBDMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072875100 374298482 /nfs/dbraw/zinc/29/84/82/374298482.db2.gz RRGPZWCNXMUTEJ-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072875100 374298493 /nfs/dbraw/zinc/29/84/93/374298493.db2.gz RRGPZWCNXMUTEJ-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000072979479 374309552 /nfs/dbraw/zinc/30/95/52/374309552.db2.gz HBEMSHUWQZPEPU-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000072979479 374309559 /nfs/dbraw/zinc/30/95/59/374309559.db2.gz HBEMSHUWQZPEPU-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076071849 374528541 /nfs/dbraw/zinc/52/85/41/374528541.db2.gz CKPZTSQOZQEBSW-CYBMUJFWSA-N 1 1 266.366 2.922 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O ZINC000079618988 374622862 /nfs/dbraw/zinc/62/28/62/374622862.db2.gz BGFMPZMHQRWTLV-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536297 383703683 /nfs/dbraw/zinc/70/36/83/383703683.db2.gz CMAOIDZVIBURGA-IUODEOHRSA-N 1 1 291.395 2.902 20 5 CFBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000090533593 375019633 /nfs/dbraw/zinc/01/96/33/375019633.db2.gz GQNGNSSGQQHNAI-PWSUYJOCSA-N 1 1 288.351 2.908 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000092196132 375094294 /nfs/dbraw/zinc/09/42/94/375094294.db2.gz PQAHDQZULFTGMW-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000092196308 375094354 /nfs/dbraw/zinc/09/43/54/375094354.db2.gz OBPMFADGRLBRRN-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093337604 375215056 /nfs/dbraw/zinc/21/50/56/375215056.db2.gz QCAGSBCREHBACK-CQSZACIVSA-N 1 1 278.352 2.762 20 5 CFBDMO CSCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093509473 375260165 /nfs/dbraw/zinc/26/01/65/375260165.db2.gz ZHWPWRJNXUQCJF-UHFFFAOYSA-N 1 1 254.355 2.698 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000098135136 375607579 /nfs/dbraw/zinc/60/75/79/375607579.db2.gz FTUUERVNXOVFPY-HNNXBMFYSA-N 1 1 278.352 2.984 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000501784516 247106969 /nfs/dbraw/zinc/10/69/69/247106969.db2.gz HFDABCXPKIVMOF-QWHCGFSZSA-N 1 1 278.352 2.952 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000118415042 376294666 /nfs/dbraw/zinc/29/46/66/376294666.db2.gz ZFJYEYQUCAIFGO-VXGBXAGGSA-N 1 1 296.392 2.799 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000120604960 376652984 /nfs/dbraw/zinc/65/29/84/376652984.db2.gz XEIJBTDKCWDLGV-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000121738750 376896171 /nfs/dbraw/zinc/89/61/71/376896171.db2.gz PXXWBEJQFBSEAQ-ZJUUUORDSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129757101 377469934 /nfs/dbraw/zinc/46/99/34/377469934.db2.gz BXZGWXKZHHWKKF-JTQLQIEISA-N 1 1 284.747 2.539 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059011 190154941 /nfs/dbraw/zinc/15/49/41/190154941.db2.gz RZOGMXVYODOCRG-GJZGRUSLSA-N 1 1 278.352 2.720 20 5 CFBDMO CCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130360416 377545543 /nfs/dbraw/zinc/54/55/43/377545543.db2.gz AFXZHFJJSXKYKK-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC000130381790 377547531 /nfs/dbraw/zinc/54/75/31/377547531.db2.gz GCTCCZDIDIVPNA-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO COC1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000265261777 190170366 /nfs/dbraw/zinc/17/03/66/190170366.db2.gz YKJNHQRQAKLYRG-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136807447 378210302 /nfs/dbraw/zinc/21/03/02/378210302.db2.gz GJYIFRWMEOZZMT-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[C@@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135734121 378161719 /nfs/dbraw/zinc/16/17/19/378161719.db2.gz MATFJLJBYZPGNC-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270845 378660875 /nfs/dbraw/zinc/66/08/75/378660875.db2.gz AVCSKJVTIPPCFY-LALPHHSUSA-N 1 1 278.352 2.576 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295222 378665577 /nfs/dbraw/zinc/66/55/77/378665577.db2.gz SGRCUQQRGYXSGU-LALPHHSUSA-N 1 1 278.352 2.576 20 5 CFBDMO CCOc1cc(C[N@H+]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000331169287 378643669 /nfs/dbraw/zinc/64/36/69/378643669.db2.gz NSMOBXRMPOPSPZ-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000332315749 378746051 /nfs/dbraw/zinc/74/60/51/378746051.db2.gz YLCFYGQSVKPGIC-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332344260 378751068 /nfs/dbraw/zinc/75/10/68/378751068.db2.gz XTTJKWJQYOMSKJ-LYRGGWFBSA-N 1 1 289.379 2.560 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000331764102 378714174 /nfs/dbraw/zinc/71/41/74/378714174.db2.gz KZOUJGBMXYUUIU-UHFFFAOYSA-N 1 1 274.324 2.846 20 5 CFBDMO CC(C)CC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332716257 378794594 /nfs/dbraw/zinc/79/45/94/378794594.db2.gz QFOJDIJDGBSRFP-INIZCTEOSA-N 1 1 292.379 2.750 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000266265234 190243905 /nfs/dbraw/zinc/24/39/05/190243905.db2.gz QBIOWCSUORAEIE-UHFFFAOYSA-N 1 1 278.287 2.741 20 5 CFBDMO Cc1c([C@H](C)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000161473304 378849657 /nfs/dbraw/zinc/84/96/57/378849657.db2.gz KLCFACVADFACFW-LBPRGKRZSA-N 1 1 277.368 2.648 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000167351011 379070777 /nfs/dbraw/zinc/07/07/77/379070777.db2.gz 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C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357041224 381983890 /nfs/dbraw/zinc/98/38/90/381983890.db2.gz QLBDXAKZVQQNIJ-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO CC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000186959475 382058674 /nfs/dbraw/zinc/05/86/74/382058674.db2.gz LXCQBWHJBHAPGX-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000362434867 382068477 /nfs/dbraw/zinc/06/84/77/382068477.db2.gz QBMYWVNZSXGVEY-TXEJJXNPSA-N 1 1 264.325 2.561 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351498141 382040607 /nfs/dbraw/zinc/04/06/07/382040607.db2.gz AIDFBNQURPNFPU-SBSDFTTDSA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1ccnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301250422 382122118 /nfs/dbraw/zinc/12/21/18/382122118.db2.gz BYGHRFUWBIRTIO-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000302292725 382236908 /nfs/dbraw/zinc/23/69/08/382236908.db2.gz WWCVFJZDYJFVPI-UHFFFAOYSA-N 1 1 283.759 2.779 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362949601 382223635 /nfs/dbraw/zinc/22/36/35/382223635.db2.gz QNYIFZVJXQEBQZ-CYBMUJFWSA-N 1 1 280.372 2.836 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352229713 382237919 /nfs/dbraw/zinc/23/79/19/382237919.db2.gz GFSGZZRAAABOOS-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)c(Cl)c1 ZINC000376878265 382187002 /nfs/dbraw/zinc/18/70/02/382187002.db2.gz SWHNUZJJPZRCHW-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345154534 382288910 /nfs/dbraw/zinc/28/89/10/382288910.db2.gz XJXVDHPWNLRQFE-NWDGAFQWSA-N 1 1 263.341 2.514 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187955848 382309346 /nfs/dbraw/zinc/30/93/46/382309346.db2.gz FELNTLFELRUDSY-LRDDRELGSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352421294 382322415 /nfs/dbraw/zinc/32/24/15/382322415.db2.gz KGMQVWAOWLXOMT-OQPBUACISA-N 1 1 286.278 2.530 20 5 CFBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419370043 382300127 /nfs/dbraw/zinc/30/01/27/382300127.db2.gz IYNKCLJZFQJMMZ-WOPDTQHZSA-N 1 1 291.351 2.510 20 5 CFBDMO Cc1c(C[NH2+][C@@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355600 382380755 /nfs/dbraw/zinc/38/07/55/382380755.db2.gz CCMZEDZBUXVVFY-HNNXBMFYSA-N 1 1 291.395 2.900 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(C2)CCCCCC3)n1 ZINC000378017567 382384293 /nfs/dbraw/zinc/38/42/93/382384293.db2.gz IUCKHPIVFNACQD-UHFFFAOYSA-N 1 1 292.383 2.838 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798183 382348357 /nfs/dbraw/zinc/34/83/57/382348357.db2.gz FHBVZXLJMNKKRE-JQWIXIFHSA-N 1 1 286.335 2.526 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294160596 382438754 /nfs/dbraw/zinc/43/87/54/382438754.db2.gz AXWAOMWPDGMUMO-SNVBAGLBSA-N 1 1 270.329 2.671 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1cccc(C)c1[N+](=O)[O-] ZINC000188383702 382403590 /nfs/dbraw/zinc/40/35/90/382403590.db2.gz CKCJVNDRCCJSKE-UHFFFAOYSA-N 1 1 274.324 2.910 20 5 CFBDMO CC[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000420415768 382403846 /nfs/dbraw/zinc/40/38/46/382403846.db2.gz VFRKJXDBEFWNDS-SWLSCSKDSA-N 1 1 277.368 2.635 20 5 CFBDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294101478 382415613 /nfs/dbraw/zinc/41/56/13/382415613.db2.gz MTNOLDGICNYUBK-GXFFZTMASA-N 1 1 272.308 2.587 20 5 CFBDMO CC(C)(CN1CCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000308641385 382481468 /nfs/dbraw/zinc/48/14/68/382481468.db2.gz JTCWVSXTKJVUOK-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000037647829 184541561 /nfs/dbraw/zinc/54/15/61/184541561.db2.gz FWAZOWMWCGQXFI-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294302002 382501607 /nfs/dbraw/zinc/50/16/07/382501607.db2.gz ZWOWPYRIBNUMET-GXFFZTMASA-N 1 1 272.308 2.587 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000312284252 382514166 /nfs/dbraw/zinc/51/41/66/382514166.db2.gz SOIRSPOKHUDUIU-LLVKDONJSA-N 1 1 281.331 2.876 20 5 CFBDMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895249 382561056 /nfs/dbraw/zinc/56/10/56/382561056.db2.gz LYLHKOQQQRFJNO-ZANVPECISA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895249 382561058 /nfs/dbraw/zinc/56/10/58/382561058.db2.gz LYLHKOQQQRFJNO-ZANVPECISA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895248 382561436 /nfs/dbraw/zinc/56/14/36/382561436.db2.gz LYLHKOQQQRFJNO-TVQRCGJNSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895248 382561441 /nfs/dbraw/zinc/56/14/41/382561441.db2.gz LYLHKOQQQRFJNO-TVQRCGJNSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000294833225 382533744 /nfs/dbraw/zinc/53/37/44/382533744.db2.gz AIRYITFVUXXPQD-LBPRGKRZSA-N 1 1 275.352 2.515 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000353751865 382626127 /nfs/dbraw/zinc/62/61/27/382626127.db2.gz ZEFOBXJOVJPYAD-CZUORRHYSA-N 1 1 291.395 2.899 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821500 382578215 /nfs/dbraw/zinc/57/82/15/382578215.db2.gz RRADFWIOCPZVOY-GXFFZTMASA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191176800 382694222 /nfs/dbraw/zinc/69/42/22/382694222.db2.gz OIZYFOAYNDHTDF-UWVGGRQHSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191175061 382694275 /nfs/dbraw/zinc/69/42/75/382694275.db2.gz QSOMFSLRARTHIL-NXEZZACHSA-N 1 1 298.770 2.982 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1CCCCC1 ZINC000191297608 382697959 /nfs/dbraw/zinc/69/79/59/382697959.db2.gz UCOWMQUQPMHATP-INIZCTEOSA-N 1 1 292.379 2.968 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000192454464 382709111 /nfs/dbraw/zinc/70/91/11/382709111.db2.gz KCKJHSDOPCQRTC-SNVBAGLBSA-N 1 1 284.385 2.728 20 5 CFBDMO Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000336841051 382731349 /nfs/dbraw/zinc/73/13/49/382731349.db2.gz RDFZJCCKZBEQCQ-SNVBAGLBSA-N 1 1 281.331 2.937 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000195666968 382770749 /nfs/dbraw/zinc/77/07/49/382770749.db2.gz MQKYDYQMJVQHQY-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221255119 382798094 /nfs/dbraw/zinc/79/80/94/382798094.db2.gz MNBRUBJQSHPQTO-SNVBAGLBSA-N 1 1 269.732 2.754 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000575805910 382799700 /nfs/dbraw/zinc/79/97/00/382799700.db2.gz PMXKCBBTXURTHV-GOEBONIOSA-N 1 1 292.379 2.620 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000337486932 382829752 /nfs/dbraw/zinc/82/97/52/382829752.db2.gz ZONFQFOGIIXQPW-ZDUSSCGKSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000578320230 382910090 /nfs/dbraw/zinc/91/00/90/382910090.db2.gz HMDZEXYMVAICQH-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000337941991 382875583 /nfs/dbraw/zinc/87/55/83/382875583.db2.gz IICMEYVALDEPAK-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000533494876 382901501 /nfs/dbraw/zinc/90/15/01/382901501.db2.gz RMBDAFAIPJJIMD-UHFFFAOYSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191634 382968890 /nfs/dbraw/zinc/96/88/90/382968890.db2.gz HKYAYVOYJZKMHB-ZWNOBZJWSA-N 1 1 284.381 2.639 20 5 CFBDMO CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211758 382971192 /nfs/dbraw/zinc/97/11/92/382971192.db2.gz OYPFLYCQUKMKHQ-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211758 382971194 /nfs/dbraw/zinc/97/11/94/382971194.db2.gz OYPFLYCQUKMKHQ-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CCc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000551995216 383061812 /nfs/dbraw/zinc/06/18/12/383061812.db2.gz SVLDKWOXRMSHDY-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO CCc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000551995216 383061817 /nfs/dbraw/zinc/06/18/17/383061817.db2.gz SVLDKWOXRMSHDY-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO CC[C@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246252733 383069797 /nfs/dbraw/zinc/06/97/97/383069797.db2.gz PNDRVALWYDRUFF-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO CCN[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375294 383071256 /nfs/dbraw/zinc/07/12/56/383071256.db2.gz IMTOGCFUWLJGQB-DOMZBBRYSA-N 1 1 291.395 2.504 20 5 CFBDMO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526027 383126262 /nfs/dbraw/zinc/12/62/62/383126262.db2.gz KWVCUKXMQUWPKQ-ABAIWWIYSA-N 1 1 277.368 2.763 20 5 CFBDMO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000608886379 383133554 /nfs/dbraw/zinc/13/35/54/383133554.db2.gz DLCZRSMCBJBWNW-UHFFFAOYSA-N 1 1 279.340 2.511 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1F ZINC000449309894 383211651 /nfs/dbraw/zinc/21/16/51/383211651.db2.gz FTJLXTJWMGZAEJ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1F ZINC000449309894 383211656 /nfs/dbraw/zinc/21/16/56/383211656.db2.gz FTJLXTJWMGZAEJ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CC1=CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339629317 383269902 /nfs/dbraw/zinc/26/99/02/383269902.db2.gz UEAZHCMEABUTDR-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248367200 383228491 /nfs/dbraw/zinc/22/84/91/383228491.db2.gz TUKLRUZXSIWZEA-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280565050 194883875 /nfs/dbraw/zinc/88/38/75/194883875.db2.gz RNPRXLZEGPJHKA-LBPRGKRZSA-N 1 1 278.352 2.578 20 5 CFBDMO CC(C)[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000339820881 383330616 /nfs/dbraw/zinc/33/06/16/383330616.db2.gz NWWTZGYRLCBHNF-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000339820881 383330620 /nfs/dbraw/zinc/33/06/20/383330620.db2.gz NWWTZGYRLCBHNF-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO CCO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449494442 383331349 /nfs/dbraw/zinc/33/13/49/383331349.db2.gz NBCBGCYHGRLHFT-CMPLNLGQSA-N 1 1 284.381 2.903 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449494442 383331354 /nfs/dbraw/zinc/33/13/54/383331354.db2.gz NBCBGCYHGRLHFT-CMPLNLGQSA-N 1 1 284.381 2.903 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827255 383346122 /nfs/dbraw/zinc/34/61/22/383346122.db2.gz UWUSYFFMJCWPCL-ZANVPECISA-N 1 1 279.315 2.629 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248843447 383296511 /nfs/dbraw/zinc/29/65/11/383296511.db2.gz QSOMFSLRARTHIL-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248843447 383296516 /nfs/dbraw/zinc/29/65/16/383296516.db2.gz QSOMFSLRARTHIL-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO COC(C)(C)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527048573 383447599 /nfs/dbraw/zinc/44/75/99/383447599.db2.gz KOBWYQGDKSBKFO-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000450549006 383457069 /nfs/dbraw/zinc/45/70/69/383457069.db2.gz UOQIXYUFDVAOMD-LBPRGKRZSA-N 1 1 289.379 2.824 20 5 CFBDMO CCOCC[N@@H+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255544183 383483600 /nfs/dbraw/zinc/48/36/00/383483600.db2.gz PFBGJGRODUDIJR-CLFYSBASSA-N 1 1 278.352 2.966 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567701 383545909 /nfs/dbraw/zinc/54/59/09/383545909.db2.gz YALJLKJSVUSUHJ-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488098690 383495295 /nfs/dbraw/zinc/49/52/95/383495295.db2.gz WKFZQTIYJISRLY-CJNGLKHVSA-N 1 1 291.395 2.928 20 5 CFBDMO Cc1ccc(C)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000429299156 383515420 /nfs/dbraw/zinc/51/54/20/383515420.db2.gz GHFURAMAENVJNE-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000451550303 383643569 /nfs/dbraw/zinc/64/35/69/383643569.db2.gz IKUVXMSQJIJYNZ-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000451550303 383643573 /nfs/dbraw/zinc/64/35/73/383643573.db2.gz IKUVXMSQJIJYNZ-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CC[N@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144530 383755019 /nfs/dbraw/zinc/75/50/19/383755019.db2.gz MSKWCWCBDCNZHU-OAHLLOKOSA-N 1 1 291.395 2.859 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144530 383755022 /nfs/dbraw/zinc/75/50/22/383755022.db2.gz MSKWCWCBDCNZHU-OAHLLOKOSA-N 1 1 291.395 2.859 20 5 CFBDMO Cc1c(C[N@H+](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000531104833 383819700 /nfs/dbraw/zinc/81/97/00/383819700.db2.gz HMPTVUFABLEEJJ-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC=C(C)C1 ZINC000436250339 383792544 /nfs/dbraw/zinc/79/25/44/383792544.db2.gz FYVHWJXFPUKECV-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC=C(C)C1 ZINC000436250339 383792549 /nfs/dbraw/zinc/79/25/49/383792549.db2.gz FYVHWJXFPUKECV-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532239410 384000330 /nfs/dbraw/zinc/00/03/30/384000330.db2.gz LJZJMSFHXUSAJS-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532239410 384000332 /nfs/dbraw/zinc/00/03/32/384000332.db2.gz LJZJMSFHXUSAJS-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000532587790 384047448 /nfs/dbraw/zinc/04/74/48/384047448.db2.gz WTCALKTUOPNDEX-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000532587790 384047461 /nfs/dbraw/zinc/04/74/61/384047461.db2.gz WTCALKTUOPNDEX-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2C)c1 ZINC000266207960 384115553 /nfs/dbraw/zinc/11/55/53/384115553.db2.gz FMDOEOHWVQGRAN-UHFFFAOYSA-N 1 1 290.323 2.611 20 5 CFBDMO C[NH+](C)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277154732 384215862 /nfs/dbraw/zinc/21/58/62/384215862.db2.gz JVBXAOVDPOMTMD-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299519046 285095113 /nfs/dbraw/zinc/09/51/13/285095113.db2.gz KYTKUPJIFOXHRL-UHFFFAOYSA-N 1 1 290.298 2.841 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628098 384427478 /nfs/dbraw/zinc/42/74/78/384427478.db2.gz LTINNWYMWJPVBG-JQWIXIFHSA-N 1 1 281.331 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369462993 285110486 /nfs/dbraw/zinc/11/04/86/285110486.db2.gz ALGUCORQBNEDRB-HOTGVXAUSA-N 1 1 290.363 2.781 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCSC1 ZINC000278464857 384585028 /nfs/dbraw/zinc/58/50/28/384585028.db2.gz POVJHOIDCONWHR-NSHDSACASA-N 1 1 266.366 2.780 20 5 CFBDMO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000279389512 384623991 /nfs/dbraw/zinc/62/39/91/384623991.db2.gz UFOQBCRXVGDIJM-CQSZACIVSA-N 1 1 282.315 2.735 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000279389512 384623995 /nfs/dbraw/zinc/62/39/95/384623995.db2.gz UFOQBCRXVGDIJM-CQSZACIVSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268535247 384630282 /nfs/dbraw/zinc/63/02/82/384630282.db2.gz YBLOZYNJNPEWBH-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602926 384801590 /nfs/dbraw/zinc/80/15/90/384801590.db2.gz AYSUVKQXHAIWMH-ZANVPECISA-N 1 1 299.321 2.649 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000269771785 384865328 /nfs/dbraw/zinc/86/53/28/384865328.db2.gz BJANXLHJBMLMHI-OBJOEFQTSA-N 1 1 278.352 2.891 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280189353 384922750 /nfs/dbraw/zinc/92/27/50/384922750.db2.gz HIWHIZYIFCFEIF-HNNXBMFYSA-N 1 1 278.352 2.986 20 5 CFBDMO CC(C)c1[nH+]ccn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000270163533 384998622 /nfs/dbraw/zinc/99/86/22/384998622.db2.gz UEJKUFSQWMZAEB-CYBMUJFWSA-N 1 1 275.308 2.648 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246905871 285160920 /nfs/dbraw/zinc/16/09/20/285160920.db2.gz VSZKRRBMRDPCNR-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000282361079 385292400 /nfs/dbraw/zinc/29/24/00/385292400.db2.gz DFZTZRAGVHBOBV-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405113 385302065 /nfs/dbraw/zinc/30/20/65/385302065.db2.gz IAYQRAZSMZNIDT-WFASDCNBSA-N 1 1 278.352 2.637 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299509874 285162416 /nfs/dbraw/zinc/16/24/16/285162416.db2.gz JLWROISUGJGDIT-UHFFFAOYSA-N 1 1 272.308 2.702 20 5 CFBDMO CCOc1ccc([C@@H](C)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000271122874 385342471 /nfs/dbraw/zinc/34/24/71/385342471.db2.gz JTUVFJXTHCUCKV-NWDGAFQWSA-N 1 1 295.383 2.594 20 5 CFBDMO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282591012 385347667 /nfs/dbraw/zinc/34/76/67/385347667.db2.gz WYEKZHZIFGXGJS-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO COCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282591012 385347670 /nfs/dbraw/zinc/34/76/70/385347670.db2.gz WYEKZHZIFGXGJS-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO COC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271207535 385376329 /nfs/dbraw/zinc/37/63/29/385376329.db2.gz WMQGTNINTUXVDJ-DIECRNLCSA-N 1 1 276.336 2.576 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000283965987 385519447 /nfs/dbraw/zinc/51/94/47/385519447.db2.gz CDZQLLKQTWTYNZ-UHFFFAOYSA-N 1 1 298.346 2.581 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272365746 385520014 /nfs/dbraw/zinc/52/00/14/385520014.db2.gz SWRYJTGPQACFLO-ZFWWWQNUSA-N 1 1 292.379 2.824 20 5 CFBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283987425 385521467 /nfs/dbraw/zinc/52/14/67/385521467.db2.gz HDGITXMQPLFIMX-QMMMGPOBSA-N 1 1 290.323 2.633 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286181735 385567966 /nfs/dbraw/zinc/56/79/66/385567966.db2.gz ZHJCRYJEJYLHND-MRVPVSSYSA-N 1 1 256.252 2.715 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286181735 385567968 /nfs/dbraw/zinc/56/79/68/385567968.db2.gz ZHJCRYJEJYLHND-MRVPVSSYSA-N 1 1 256.252 2.715 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000287118637 385785487 /nfs/dbraw/zinc/78/54/87/385785487.db2.gz YXNJEDCGILNDJZ-UHFFFAOYSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495943 385976826 /nfs/dbraw/zinc/97/68/26/385976826.db2.gz RXAMJCDQNOSNLV-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275165233 385949193 /nfs/dbraw/zinc/94/91/93/385949193.db2.gz JSCJSFRXGZFMJG-MRVPVSSYSA-N 1 1 280.715 2.822 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000276857819 386061955 /nfs/dbraw/zinc/06/19/55/386061955.db2.gz FYHOMCGZNVNUQE-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO COC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517458 285280005 /nfs/dbraw/zinc/28/00/05/285280005.db2.gz GWZLQPWCBZPJEQ-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000414308015 533500598 /nfs/dbraw/zinc/50/05/98/533500598.db2.gz SGNCTLLBYCTWNL-VHSXEESVSA-N 1 1 292.364 2.728 20 5 CFBDMO COc1ccc(C[NH+]2CC(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000425365988 533553585 /nfs/dbraw/zinc/55/35/85/533553585.db2.gz NSFOCDBYKFJCQJ-UHFFFAOYSA-N 1 1 286.278 2.690 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000426483216 533566696 /nfs/dbraw/zinc/56/66/96/533566696.db2.gz OGWCDHAUDQHIPO-STQMWFEESA-N 1 1 276.336 2.978 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342018936 130202647 /nfs/dbraw/zinc/20/26/47/130202647.db2.gz MJFMZXFEZLPQQO-LBPRGKRZSA-N 1 1 296.342 2.861 20 5 CFBDMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903124 130351099 /nfs/dbraw/zinc/35/10/99/130351099.db2.gz CHXOFKAQCSIPHQ-QWHCGFSZSA-N 1 1 292.383 2.911 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000301351136 393470628 /nfs/dbraw/zinc/47/06/28/393470628.db2.gz IZZARUOUUJOKJH-CQSZACIVSA-N 1 1 281.331 2.510 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301947380 393483988 /nfs/dbraw/zinc/48/39/88/393483988.db2.gz DCNWUUOCVYHRQI-OAHLLOKOSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000183348885 393520516 /nfs/dbraw/zinc/52/05/16/393520516.db2.gz IJBQJDQSCOVNJA-RYUDHWBXSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000183348885 393520520 /nfs/dbraw/zinc/52/05/20/393520520.db2.gz IJBQJDQSCOVNJA-RYUDHWBXSA-N 1 1 264.325 2.512 20 5 CFBDMO COc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000037562447 393531830 /nfs/dbraw/zinc/53/18/30/393531830.db2.gz YESZDHUUGSUMMD-UHFFFAOYSA-N 1 1 278.333 2.955 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000048857607 393605591 /nfs/dbraw/zinc/60/55/91/393605591.db2.gz BTPOZUHFKYMIDH-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000048857607 393605593 /nfs/dbraw/zinc/60/55/93/393605593.db2.gz BTPOZUHFKYMIDH-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000194096969 393677924 /nfs/dbraw/zinc/67/79/24/393677924.db2.gz MRHBZMZFRPIQPA-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO C[N@H+]1CC[C@@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000193512468 393654362 /nfs/dbraw/zinc/65/43/62/393654362.db2.gz FKBCOAQQQSXJFK-SECBINFHSA-N 1 1 270.329 2.778 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214569 393686354 /nfs/dbraw/zinc/68/63/54/393686354.db2.gz GAKPLSRPJWFMKN-CYBMUJFWSA-N 1 1 291.351 2.798 20 5 CFBDMO COCCCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000418134478 394018415 /nfs/dbraw/zinc/01/84/15/394018415.db2.gz NBCSMRGKVZKFPS-UHFFFAOYSA-N 1 1 266.341 2.762 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430223182 393969792 /nfs/dbraw/zinc/96/97/92/393969792.db2.gz FLVYEBSPONKXNR-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595982 393987980 /nfs/dbraw/zinc/98/79/80/393987980.db2.gz ITGPJADYHKFQEC-MFKMUULPSA-N 1 1 281.331 2.510 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125168571 394002911 /nfs/dbraw/zinc/00/29/11/394002911.db2.gz USXWRMREPUJJOR-LBPRGKRZSA-N 1 1 294.351 2.714 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270108978 394010043 /nfs/dbraw/zinc/01/00/43/394010043.db2.gz MHOWMCFZOQLEAK-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1CC[NH3+] ZINC000352535569 394015409 /nfs/dbraw/zinc/01/54/09/394015409.db2.gz SFGGSCNCWRVOER-AWEZNQCLSA-N 1 1 277.368 2.607 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000438345685 394078423 /nfs/dbraw/zinc/07/84/23/394078423.db2.gz AHENWOIQRCFPPG-GRYCIOLGSA-N 1 1 264.325 2.593 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000438345685 394078426 /nfs/dbraw/zinc/07/84/26/394078426.db2.gz AHENWOIQRCFPPG-GRYCIOLGSA-N 1 1 264.325 2.593 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000438345687 394079323 /nfs/dbraw/zinc/07/93/23/394079323.db2.gz AHENWOIQRCFPPG-IJLUTSLNSA-N 1 1 264.325 2.593 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000438345687 394079326 /nfs/dbraw/zinc/07/93/26/394079326.db2.gz AHENWOIQRCFPPG-IJLUTSLNSA-N 1 1 264.325 2.593 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439298620 394111258 /nfs/dbraw/zinc/11/12/58/394111258.db2.gz VHGAHFZAGJJOGM-XYPYZODXSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439298620 394111262 /nfs/dbraw/zinc/11/12/62/394111262.db2.gz VHGAHFZAGJJOGM-XYPYZODXSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421008571 394154844 /nfs/dbraw/zinc/15/48/44/394154844.db2.gz DFSPFSZPVVMAQG-CQSZACIVSA-N 1 1 292.379 2.888 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421366808 394204237 /nfs/dbraw/zinc/20/42/37/394204237.db2.gz VTJRGTJISFICHP-HXINVUTJSA-N 1 1 290.363 2.558 20 5 CFBDMO COc1ccc(C)[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000150985646 394257832 /nfs/dbraw/zinc/25/78/32/394257832.db2.gz JLHDBPSGDOWDLU-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291788325 394259849 /nfs/dbraw/zinc/25/98/49/394259849.db2.gz MPMHTYCLVRHULH-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449574258 394281578 /nfs/dbraw/zinc/28/15/78/394281578.db2.gz UEUVJTYJYCQBSL-SMDDNHRTSA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526032 394290611 /nfs/dbraw/zinc/29/06/11/394290611.db2.gz KWVCUKXMQUWPKQ-XHDPSFHLSA-N 1 1 277.368 2.763 20 5 CFBDMO C[C@]1(F)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451116615 394359326 /nfs/dbraw/zinc/35/93/26/394359326.db2.gz RZLKECZADWETBO-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@]1(F)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451116615 394359329 /nfs/dbraw/zinc/35/93/29/394359329.db2.gz RZLKECZADWETBO-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000545949879 394810367 /nfs/dbraw/zinc/81/03/67/394810367.db2.gz BVIQPIQDFFKLTR-NBVGUUKWSA-N 1 1 290.363 2.701 20 5 CFBDMO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000548753011 394950800 /nfs/dbraw/zinc/95/08/00/394950800.db2.gz HRYFFASBMDEGBR-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCC1 ZINC000348203849 154361925 /nfs/dbraw/zinc/36/19/25/154361925.db2.gz DQMCDEJGAITZJK-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1F ZINC000374911982 157171835 /nfs/dbraw/zinc/17/18/35/157171835.db2.gz MESUTHFBNDILRL-LBPRGKRZSA-N 1 1 264.300 2.966 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375019417 157184739 /nfs/dbraw/zinc/18/47/39/157184739.db2.gz MBERLBODXUDGOR-IOASZLSFSA-N 1 1 289.379 2.682 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@]12CCOC2 ZINC000375302631 157222376 /nfs/dbraw/zinc/22/23/76/157222376.db2.gz MEMJXILAOPCVDT-WUTVXBCWSA-N 1 1 288.347 2.863 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344440085 162043547 /nfs/dbraw/zinc/04/35/47/162043547.db2.gz UELHMSOSLUTADR-ZDUSSCGKSA-N 1 1 278.356 2.666 20 5 CFBDMO COc1ccc(CNc2cc[nH+]cc2Cl)cc1[N+](=O)[O-] ZINC000350243931 163068247 /nfs/dbraw/zinc/06/82/47/163068247.db2.gz GGSNLXIYSIJRMX-UHFFFAOYSA-N 1 1 293.710 2.686 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000353131844 163314055 /nfs/dbraw/zinc/31/40/55/163314055.db2.gz ZJFJWMAZBSBKIG-HNNXBMFYSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353131844 163314059 /nfs/dbraw/zinc/31/40/59/163314059.db2.gz ZJFJWMAZBSBKIG-HNNXBMFYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000423218620 287051443 /nfs/dbraw/zinc/05/14/43/287051443.db2.gz SCVZWSGULLVIBF-OUCADQQQSA-N 1 1 277.368 2.634 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000020123809 171005781 /nfs/dbraw/zinc/00/57/81/171005781.db2.gz DGMDJRKHNHXBHX-LLVKDONJSA-N 1 1 257.293 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000284753902 196125764 /nfs/dbraw/zinc/12/57/64/196125764.db2.gz LPVKBYODRSUPFP-CABCVRRESA-N 1 1 294.326 2.877 20 5 CFBDMO CC(C)COCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285281796 196240172 /nfs/dbraw/zinc/24/01/72/196240172.db2.gz JNRGVNSASYUVDG-UHFFFAOYSA-N 1 1 280.368 2.742 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncc(F)c1 ZINC000285299205 196244240 /nfs/dbraw/zinc/24/42/40/196244240.db2.gz LATGTKMGZNCEOH-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CC[C@@H](NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010426 172868777 /nfs/dbraw/zinc/86/87/77/172868777.db2.gz SQGHRRKHTJNWJL-OAHLLOKOSA-N 1 1 279.384 2.977 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000037403761 173180050 /nfs/dbraw/zinc/18/00/50/173180050.db2.gz RVKYTKYARDTANX-LBPRGKRZSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000037403761 173180051 /nfs/dbraw/zinc/18/00/51/173180051.db2.gz RVKYTKYARDTANX-LBPRGKRZSA-N 1 1 298.770 2.985 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040623932 174356052 /nfs/dbraw/zinc/35/60/52/174356052.db2.gz XPBZFLPULRPYCX-LLVKDONJSA-N 1 1 281.331 2.876 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272748160 263008486 /nfs/dbraw/zinc/00/84/86/263008486.db2.gz DRCPJLNSCHUNTO-GFCCVEGCSA-N 1 1 275.352 2.966 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093232584 263309784 /nfs/dbraw/zinc/30/97/84/263309784.db2.gz IUSAZAULDHPZAW-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284163615 274286816 /nfs/dbraw/zinc/28/68/16/274286816.db2.gz QHUCXLAYDZJDGZ-SNVBAGLBSA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284163615 274286817 /nfs/dbraw/zinc/28/68/17/274286817.db2.gz QHUCXLAYDZJDGZ-SNVBAGLBSA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000444690542 274303178 /nfs/dbraw/zinc/30/31/78/274303178.db2.gz UCIGSZKSLCCAHY-MNOVXSKESA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000444690542 274303179 /nfs/dbraw/zinc/30/31/79/274303179.db2.gz UCIGSZKSLCCAHY-MNOVXSKESA-N 1 1 288.351 2.949 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000148564585 275033678 /nfs/dbraw/zinc/03/36/78/275033678.db2.gz ALWDUXLTXNAYHR-WDEREUQCSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000362452071 275035208 /nfs/dbraw/zinc/03/52/08/275035208.db2.gz MXTYFZWOKSQEOZ-GDBMZVCRSA-N 1 1 290.363 2.638 20 5 CFBDMO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271635055 275606978 /nfs/dbraw/zinc/60/69/78/275606978.db2.gz PZMGRLUSFWJUIF-RYUDHWBXSA-N 1 1 293.367 2.501 20 5 CFBDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176984 276187406 /nfs/dbraw/zinc/18/74/06/276187406.db2.gz FBXHDZXBFRSXIO-WFASDCNBSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176984 276187407 /nfs/dbraw/zinc/18/74/07/276187407.db2.gz FBXHDZXBFRSXIO-WFASDCNBSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000349976601 276250196 /nfs/dbraw/zinc/25/01/96/276250196.db2.gz PVXRRYNBJNDEGD-KBPBESRZSA-N 1 1 291.395 2.818 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292928624 277087346 /nfs/dbraw/zinc/08/73/46/277087346.db2.gz ZBMXRNLNUBEURS-HNNXBMFYSA-N 1 1 275.352 2.517 20 5 CFBDMO C[C@H](C[NH+](C)C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294784 278178333 /nfs/dbraw/zinc/17/83/33/278178333.db2.gz RFVOUABSNTYUFK-IAQYHMDHSA-N 1 1 291.395 2.857 20 5 CFBDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996959 278276939 /nfs/dbraw/zinc/27/69/39/278276939.db2.gz ICZMUSOUUHCTFD-BFQNTYOBSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996959 278276940 /nfs/dbraw/zinc/27/69/40/278276940.db2.gz ICZMUSOUUHCTFD-BFQNTYOBSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](F)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621525 278302489 /nfs/dbraw/zinc/30/24/89/278302489.db2.gz QOPDDYWHLKMHMA-SNVBAGLBSA-N 1 1 268.288 2.537 20 5 CFBDMO C[C@@H](F)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621525 278302490 /nfs/dbraw/zinc/30/24/90/278302490.db2.gz QOPDDYWHLKMHMA-SNVBAGLBSA-N 1 1 268.288 2.537 20 5 CFBDMO CCN(CC)[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642614 279145469 /nfs/dbraw/zinc/14/54/69/279145469.db2.gz BYBKHCDCWRUGBY-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286724532 281019540 /nfs/dbraw/zinc/01/95/40/281019540.db2.gz XJSCNFQLEVVXKC-KCPJHIHWSA-N 1 1 278.352 2.809 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1CCC[N@H+]1C ZINC000420995146 281019726 /nfs/dbraw/zinc/01/97/26/281019726.db2.gz DESJMKCGDCLOHI-UKRRQHHQSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCCN1C ZINC000420995146 281019729 /nfs/dbraw/zinc/01/97/29/281019729.db2.gz DESJMKCGDCLOHI-UKRRQHHQSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C ZINC000420995146 281019731 /nfs/dbraw/zinc/01/97/31/281019731.db2.gz DESJMKCGDCLOHI-UKRRQHHQSA-N 1 1 291.395 2.990 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C ZINC000249332870 281055575 /nfs/dbraw/zinc/05/55/75/281055575.db2.gz HRVBVIWEYASMOV-OCCSQVGLSA-N 1 1 280.372 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1 ZINC000358024593 281181330 /nfs/dbraw/zinc/18/13/30/281181330.db2.gz RFPVXAQZMVACAD-CQSZACIVSA-N 1 1 288.278 2.957 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000519564312 281309071 /nfs/dbraw/zinc/30/90/71/281309071.db2.gz WJVCEARTPRKKGH-QJPTWQEYSA-N 1 1 263.341 2.515 20 5 CFBDMO CCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000532232603 281446908 /nfs/dbraw/zinc/44/69/08/281446908.db2.gz QTVNUTMVSWGXRP-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272172248 290233868 /nfs/dbraw/zinc/23/38/68/290233868.db2.gz IGOWSNUECMCUQL-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292116395 290267947 /nfs/dbraw/zinc/26/79/47/290267947.db2.gz JQNRKQKADOMMCQ-CZUORRHYSA-N 1 1 289.379 2.683 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nccs1 ZINC000565217443 290283223 /nfs/dbraw/zinc/28/32/23/290283223.db2.gz LNOZHUDZCMNVKV-LLVKDONJSA-N 1 1 275.333 2.828 20 5 CFBDMO [NH3+]CCCN(Cc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000352494982 303378145 /nfs/dbraw/zinc/37/81/45/303378145.db2.gz HQRCKVKCHBXORA-UHFFFAOYSA-N 1 1 291.395 2.936 20 5 CFBDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000581350898 325113368 /nfs/dbraw/zinc/11/33/68/325113368.db2.gz PPHOFPYGJJSPFB-HIFRSBDPSA-N 1 1 290.363 2.760 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111142 519624719 /nfs/dbraw/zinc/62/47/19/519624719.db2.gz LAVOCMVQMUWDPI-GFCCVEGCSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111142 519624723 /nfs/dbraw/zinc/62/47/23/519624723.db2.gz LAVOCMVQMUWDPI-GFCCVEGCSA-N 1 1 265.357 2.586 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000341138279 520419171 /nfs/dbraw/zinc/41/91/71/520419171.db2.gz LJPYONQAMOIUHM-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357779987 521612126 /nfs/dbraw/zinc/61/21/26/521612126.db2.gz HMDDUUGBMJRAJH-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO C[C@@H](C[NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414869762 533772313 /nfs/dbraw/zinc/77/23/13/533772313.db2.gz BFODNPRSUFQWIV-NSHDSACASA-N 1 1 289.335 2.539 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191722600 519836089 /nfs/dbraw/zinc/83/60/89/519836089.db2.gz HCRIOXQCPUBKSU-OCCSQVGLSA-N 1 1 292.379 2.778 20 5 CFBDMO CC[NH+](CC)[C@@H](C)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237042106 520830118 /nfs/dbraw/zinc/83/01/18/520830118.db2.gz MNRGWDNSTYLZOZ-PLWJUESGSA-N 1 1 291.395 2.928 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357779991 521613723 /nfs/dbraw/zinc/61/37/23/521613723.db2.gz HMDDUUGBMJRAJH-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000233487625 521641657 /nfs/dbraw/zinc/64/16/57/521641657.db2.gz HZNZLUPGGHORHF-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323635 525352787 /nfs/dbraw/zinc/35/27/87/525352787.db2.gz NLCKJXINWHXFKK-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323635 525352793 /nfs/dbraw/zinc/35/27/93/525352793.db2.gz NLCKJXINWHXFKK-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000338699125 525451245 /nfs/dbraw/zinc/45/12/45/525451245.db2.gz YEOIVUOBEHBAOI-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccsc1 ZINC000063152867 525459790 /nfs/dbraw/zinc/45/97/90/525459790.db2.gz HXQIISMUIZWNQL-UHFFFAOYSA-N 1 1 278.333 2.955 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000049553665 525744107 /nfs/dbraw/zinc/74/41/07/525744107.db2.gz STSSAUKYOCBMDB-CHWSQXEVSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1cn2cc(Nc3nccc(C)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000361043552 525952895 /nfs/dbraw/zinc/95/28/95/525952895.db2.gz HENQBFDEANWCCU-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156318540 527349368 /nfs/dbraw/zinc/34/93/68/527349368.db2.gz XSKNHZKVXPERNN-INIZCTEOSA-N 1 1 299.330 2.643 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156164855 527389739 /nfs/dbraw/zinc/38/97/39/527389739.db2.gz SAEPOZRSVAQEKG-WDEREUQCSA-N 1 1 279.315 2.773 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCOC1 ZINC000106885756 528211041 /nfs/dbraw/zinc/21/10/41/528211041.db2.gz PSQNTKLXHFIBRE-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCOC1 ZINC000106885756 528211043 /nfs/dbraw/zinc/21/10/43/528211043.db2.gz PSQNTKLXHFIBRE-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[NH2+]CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847517 528335573 /nfs/dbraw/zinc/33/55/73/528335573.db2.gz OWAVEXIBXCIJES-HIFRSBDPSA-N 1 1 291.395 2.505 20 5 CFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000174839793 528916785 /nfs/dbraw/zinc/91/67/85/528916785.db2.gz YOWZBWOVRDFCDO-UHFFFAOYSA-N 1 1 280.372 2.834 20 5 CFBDMO CCn1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000414212561 529172971 /nfs/dbraw/zinc/17/29/71/529172971.db2.gz SCGRMOJTILIMBO-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO CCn1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000414212560 529174315 /nfs/dbraw/zinc/17/43/15/529174315.db2.gz SCGRMOJTILIMBO-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850969 574051237 /nfs/dbraw/zinc/05/12/37/574051237.db2.gz QHYSXMBCDJAVSY-SNVBAGLBSA-N 1 1 288.307 2.629 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000747223028 574187883 /nfs/dbraw/zinc/18/78/83/574187883.db2.gz IVAVPISPRYHJIP-ZJUUUORDSA-N 1 1 297.330 2.637 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755919140 574197681 /nfs/dbraw/zinc/19/76/81/574197681.db2.gz HYMCWIYMGINPFE-CYBMUJFWSA-N 1 1 288.351 2.880 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673244 574304579 /nfs/dbraw/zinc/30/45/79/574304579.db2.gz SWUFIPUGCCVUDB-SMDDNHRTSA-N 1 1 280.368 2.995 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673241 574304760 /nfs/dbraw/zinc/30/47/60/574304760.db2.gz SWUFIPUGCCVUDB-BXUZGUMPSA-N 1 1 280.368 2.995 20 5 CFBDMO CCCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750039232 574322493 /nfs/dbraw/zinc/32/24/93/574322493.db2.gz HPVPCYFGVGXCEJ-OAHLLOKOSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000742427783 574329816 /nfs/dbraw/zinc/32/98/16/574329816.db2.gz PDKSHCUYLOWTDQ-VIFPVBQESA-N 1 1 284.747 2.539 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804661630 617683810 /nfs/dbraw/zinc/68/38/10/617683810.db2.gz ZQYGNPVTWMTLTC-UHFFFAOYSA-N 1 1 292.383 2.711 20 5 CFBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000804813511 617895563 /nfs/dbraw/zinc/89/55/63/617895563.db2.gz ZMPVTYQXBBBXHP-UHFFFAOYSA-N 1 1 297.358 2.915 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133435 617914337 /nfs/dbraw/zinc/91/43/37/617914337.db2.gz YWSUBSBSVCUMLK-STQMWFEESA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133435 617914339 /nfs/dbraw/zinc/91/43/39/617914339.db2.gz YWSUBSBSVCUMLK-STQMWFEESA-N 1 1 284.743 2.857 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892209635 618000138 /nfs/dbraw/zinc/00/01/38/618000138.db2.gz CJNLFJQEGYJTPE-ZJUUUORDSA-N 1 1 280.324 2.539 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892217281 618005783 /nfs/dbraw/zinc/00/57/83/618005783.db2.gz DHDPEQILOSFUCY-SNVBAGLBSA-N 1 1 294.351 2.929 20 5 CFBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219120774 618162623 /nfs/dbraw/zinc/16/26/23/618162623.db2.gz FFGKCVIJVISEIR-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000891446348 618209190 /nfs/dbraw/zinc/20/91/90/618209190.db2.gz XYIXCEWXYUOQII-PHIMTYICSA-N 1 1 294.351 2.787 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[C@H](C)[NH+](C)C ZINC000895292519 618514667 /nfs/dbraw/zinc/51/46/67/618514667.db2.gz CXNBLTOJWWELGH-UELRPHRMSA-N 1 1 291.395 2.928 20 5 CFBDMO CN(C)c1cc[nH+]c(CNc2ccsc2[N+](=O)[O-])c1 ZINC000895465902 618600180 /nfs/dbraw/zinc/60/01/80/618600180.db2.gz MNACSYBIXJVBHA-UHFFFAOYSA-N 1 1 278.337 2.729 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000311668147 618719287 /nfs/dbraw/zinc/71/92/87/618719287.db2.gz HINROYCDPJKDAL-JTQLQIEISA-N 1 1 269.320 2.875 20 5 CFBDMO Cc1[nH+]ccn1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311999720 618818858 /nfs/dbraw/zinc/81/88/58/618818858.db2.gz RIRTVARBXKJFNI-UHFFFAOYSA-N 1 1 280.715 2.865 20 5 CFBDMO CC[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925540467 618898982 /nfs/dbraw/zinc/89/89/82/618898982.db2.gz CKEMFCYNTDTHFP-KKUMJFAQSA-N 1 1 289.379 2.905 20 5 CFBDMO CC[C@@H](CO)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641084 618903691 /nfs/dbraw/zinc/90/36/91/618903691.db2.gz VTMCTDDQHHHUCM-KBPBESRZSA-N 1 1 278.352 2.545 20 5 CFBDMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1C ZINC000092628207 618917228 /nfs/dbraw/zinc/91/72/28/618917228.db2.gz ZGTFDRPSTKHABH-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841694909 619168833 /nfs/dbraw/zinc/16/88/33/619168833.db2.gz YRGYRWYEAITYCN-CHWSQXEVSA-N 1 1 280.372 2.895 20 5 CFBDMO C[N@@H+](CCc1cccc2ccccc21)CC[N+](=O)[O-] ZINC000791052928 619273585 /nfs/dbraw/zinc/27/35/85/619273585.db2.gz PQXUCOLYIJKCNU-UHFFFAOYSA-N 1 1 258.321 2.591 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895565579 619559565 /nfs/dbraw/zinc/55/95/65/619559565.db2.gz ACXHJOHBQFEFBV-MWLCHTKSSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895565579 619559566 /nfs/dbraw/zinc/55/95/66/619559566.db2.gz ACXHJOHBQFEFBV-MWLCHTKSSA-N 1 1 299.421 2.648 20 5 CFBDMO Cc1ccc(-c2noc(C3([NH+](C)C)CC3)n2)cc1[N+](=O)[O-] ZINC000896015212 619655301 /nfs/dbraw/zinc/65/53/01/619655301.db2.gz RFFZFZSZVUUQPD-UHFFFAOYSA-N 1 1 288.307 2.504 20 5 CFBDMO Cc1ccc(NCCNc2nc(C)ccc2[N+](=O)[O-])[nH+]c1 ZINC000896454898 619738093 /nfs/dbraw/zinc/73/80/93/619738093.db2.gz BDVUVUUMRQRGDF-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO N[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333905 619843762 /nfs/dbraw/zinc/84/37/62/619843762.db2.gz SSDCJNVNYUOZGR-IRXDYDNUSA-N 1 1 297.358 2.872 20 5 CFBDMO [NH3+][C@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333905 619843769 /nfs/dbraw/zinc/84/37/69/619843769.db2.gz SSDCJNVNYUOZGR-IRXDYDNUSA-N 1 1 297.358 2.872 20 5 CFBDMO C[N@H+](CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179081082 619978549 /nfs/dbraw/zinc/97/85/49/619978549.db2.gz FXIWYSMTTUAMSH-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179081082 619978551 /nfs/dbraw/zinc/97/85/51/619978551.db2.gz FXIWYSMTTUAMSH-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO Cc1ccc(CNCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000040771975 620419741 /nfs/dbraw/zinc/41/97/41/620419741.db2.gz SSPDBLXZPZESAM-UHFFFAOYSA-N 1 1 291.395 2.725 20 5 CFBDMO C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432724 621078314 /nfs/dbraw/zinc/07/83/14/621078314.db2.gz XAMDMSRMMSPFIP-GUTXKFCHSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H](C[NH2+][C@H](C)[C@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432725 621078441 /nfs/dbraw/zinc/07/84/41/621078441.db2.gz XAMDMSRMMSPFIP-GZBFAFLISA-N 1 1 291.395 2.819 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CC1 ZINC000902413934 621084423 /nfs/dbraw/zinc/08/44/23/621084423.db2.gz PYRWNVSNPPMLBN-LLVKDONJSA-N 1 1 295.408 2.546 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1([NH3+])CC1 ZINC000902413934 621084426 /nfs/dbraw/zinc/08/44/26/621084426.db2.gz PYRWNVSNPPMLBN-LLVKDONJSA-N 1 1 295.408 2.546 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288189 621318945 /nfs/dbraw/zinc/31/89/45/621318945.db2.gz UJIRTFZIOFBGBM-YRGRVCCFSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288189 621318948 /nfs/dbraw/zinc/31/89/48/621318948.db2.gz UJIRTFZIOFBGBM-YRGRVCCFSA-N 1 1 289.379 2.871 20 5 CFBDMO CCC[C@@H]([NH2+]Cc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000903353141 621344524 /nfs/dbraw/zinc/34/45/24/621344524.db2.gz ZKPIJUIWLMMGEN-OAHLLOKOSA-N 1 1 288.351 2.959 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000903757906 621438610 /nfs/dbraw/zinc/43/86/10/621438610.db2.gz IMYAXQAAURUINM-UONOGXRCSA-N 1 1 291.395 2.944 20 5 CFBDMO C[N@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)CC(C)(C)C ZINC000904080116 621518057 /nfs/dbraw/zinc/51/80/57/621518057.db2.gz LWXMYKDDMKFDCG-UHFFFAOYSA-N 1 1 298.387 2.535 20 5 CFBDMO C[N@@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)CC(C)(C)C ZINC000904080116 621518060 /nfs/dbraw/zinc/51/80/60/621518060.db2.gz LWXMYKDDMKFDCG-UHFFFAOYSA-N 1 1 298.387 2.535 20 5 CFBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)CC(C)(C)C ZINC000904086628 621519942 /nfs/dbraw/zinc/51/99/42/621519942.db2.gz UBXLNTPSJPCNKZ-UHFFFAOYSA-N 1 1 294.311 2.716 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832740172 625504314 /nfs/dbraw/zinc/50/43/14/625504314.db2.gz TWRYBXDNFQYMHM-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO Cc1noc(C)c1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000071969713 625581552 /nfs/dbraw/zinc/58/15/52/625581552.db2.gz LOIQQFLVGOWTHD-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c2c1 ZINC000151150427 622839566 /nfs/dbraw/zinc/83/95/66/622839566.db2.gz ZBHPTIOTWZFFGS-BETUJISGSA-N 1 1 286.335 2.634 20 5 CFBDMO CCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000171603648 623232803 /nfs/dbraw/zinc/23/28/03/623232803.db2.gz RILSAGPLZUBECW-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO Cc1nn(C[NH+]2CCC(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000172956199 623325682 /nfs/dbraw/zinc/32/56/82/623325682.db2.gz JTKIMAVBPGFUNI-UHFFFAOYSA-N 1 1 280.372 2.734 20 5 CFBDMO COCC[N@H+](CCF)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000827054686 623933284 /nfs/dbraw/zinc/93/32/84/623933284.db2.gz VRBNXGDEXCNMNA-JLHYYAGUSA-N 1 1 296.342 2.916 20 5 CFBDMO COCC[N@@H+](CCF)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000827054686 623933288 /nfs/dbraw/zinc/93/32/88/623933288.db2.gz VRBNXGDEXCNMNA-JLHYYAGUSA-N 1 1 296.342 2.916 20 5 CFBDMO CC[N@@H+](CC(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000193396855 623993801 /nfs/dbraw/zinc/99/38/01/623993801.db2.gz DTYUUKBWAQGSQL-UHFFFAOYSA-N 1 1 276.340 2.880 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC000917350639 624334348 /nfs/dbraw/zinc/33/43/48/624334348.db2.gz JIMACPPFAXRICS-CYBMUJFWSA-N 1 1 266.366 2.922 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC000917476077 624345460 /nfs/dbraw/zinc/34/54/60/624345460.db2.gz FHEXWEQFDQIWSP-SNVBAGLBSA-N 1 1 270.329 2.920 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000829012438 624355783 /nfs/dbraw/zinc/35/57/83/624355783.db2.gz QMIZAUYFLFDCLG-VBNZEHGJSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000829404310 624431063 /nfs/dbraw/zinc/43/10/63/624431063.db2.gz ZTSBWFNUAWRCGA-VIFPVBQESA-N 1 1 279.271 2.605 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921549768 625984969 /nfs/dbraw/zinc/98/49/69/625984969.db2.gz MLQGWWCMAWYETR-UHFFFAOYSA-N 1 1 286.335 2.806 20 5 CFBDMO CCc1onc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922986526 626439179 /nfs/dbraw/zinc/43/91/79/626439179.db2.gz BPLBBSBGATZQSP-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000839141733 626528443 /nfs/dbraw/zinc/52/84/43/626528443.db2.gz XRPNQLZRTBWNSN-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293141 626821657 /nfs/dbraw/zinc/82/16/57/626821657.db2.gz RMBUOQKQFSBICA-WDEREUQCSA-N 1 1 288.351 2.941 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1Cl ZINC000761511058 626841793 /nfs/dbraw/zinc/84/17/93/626841793.db2.gz JATVZOKMOGNRFJ-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1noc(C[N@H+]2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851791294 634531833 /nfs/dbraw/zinc/53/18/33/634531833.db2.gz WUKGAORIGOEZQE-UHFFFAOYSA-N 1 1 265.313 2.657 20 5 CFBDMO CCCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764877113 627103957 /nfs/dbraw/zinc/10/39/57/627103957.db2.gz SYTCXXICPYQPIA-UHFFFAOYSA-N 1 1 276.340 2.942 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062310 627117054 /nfs/dbraw/zinc/11/70/54/627117054.db2.gz RDWQQCYBUFZVHH-PWSUYJOCSA-N 1 1 288.351 2.941 20 5 CFBDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000767006872 627231275 /nfs/dbraw/zinc/23/12/75/627231275.db2.gz LIUSBAZAQXNGTO-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO Nc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000851869676 634565785 /nfs/dbraw/zinc/56/57/85/634565785.db2.gz OGBXXDSDERQWCN-UHFFFAOYSA-N 1 1 283.331 2.735 20 5 CFBDMO Nc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000851869676 634565788 /nfs/dbraw/zinc/56/57/88/634565788.db2.gz OGBXXDSDERQWCN-UHFFFAOYSA-N 1 1 283.331 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOC(F)F)C2CC2)cc1 ZINC000851883609 634571765 /nfs/dbraw/zinc/57/17/65/634571765.db2.gz VXASOBAGGXVZNU-UHFFFAOYSA-N 1 1 286.278 2.798 20 5 CFBDMO C[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000774732046 627953336 /nfs/dbraw/zinc/95/33/36/627953336.db2.gz XPRLUMSPUJNSON-SNVBAGLBSA-N 1 1 287.323 2.624 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000776579485 628160451 /nfs/dbraw/zinc/16/04/51/628160451.db2.gz LSAANNVIVOJOHC-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CC1(C)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583011 628161209 /nfs/dbraw/zinc/16/12/09/628161209.db2.gz YLBDSEOLUGMPIB-ZDUSSCGKSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776585654 628161589 /nfs/dbraw/zinc/16/15/89/628161589.db2.gz ZAJPZOKTABWHRN-CQSZACIVSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590120 628162228 /nfs/dbraw/zinc/16/22/28/628162228.db2.gz YJIDZABNYRCGRK-KYOSRNDESA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591586 628162715 /nfs/dbraw/zinc/16/27/15/628162715.db2.gz KRCBKFSUVDPVKI-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593498 628162991 /nfs/dbraw/zinc/16/29/91/628162991.db2.gz XBPUZTSDLYIHAQ-DZGCQCFKSA-N 1 1 278.352 2.606 20 5 CFBDMO CC[C@H](CSC)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605502 628163914 /nfs/dbraw/zinc/16/39/14/628163914.db2.gz LNPRCCLPOLXUSB-TZMCWYRMSA-N 1 1 298.408 2.702 20 5 CFBDMO Cc1nn(C[N@@H+](C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000779859428 628414745 /nfs/dbraw/zinc/41/47/45/628414745.db2.gz LCAIZUMVPIGNTM-GFCCVEGCSA-N 1 1 288.351 2.793 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000779859428 628414747 /nfs/dbraw/zinc/41/47/47/628414747.db2.gz LCAIZUMVPIGNTM-GFCCVEGCSA-N 1 1 288.351 2.793 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000779860356 628414911 /nfs/dbraw/zinc/41/49/11/628414911.db2.gz XOWXUYUKIJOINO-IACUBPJLSA-N 1 1 292.383 2.958 20 5 CFBDMO CCc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]n1 ZINC000783626682 628727998 /nfs/dbraw/zinc/72/79/98/628727998.db2.gz OQPMBVGSHHBZHF-UHFFFAOYSA-N 1 1 294.742 2.824 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679766 628734179 /nfs/dbraw/zinc/73/41/79/628734179.db2.gz RCKRELRKARCBKF-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000852166731 634678918 /nfs/dbraw/zinc/67/89/18/634678918.db2.gz XDLGHZAIZSMQRR-LBPRGKRZSA-N 1 1 295.358 2.650 20 5 CFBDMO CCCC[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591557 629084138 /nfs/dbraw/zinc/08/41/38/629084138.db2.gz IFHVXCNXTVQVJG-GFCCVEGCSA-N 1 1 294.399 2.560 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591557 629084142 /nfs/dbraw/zinc/08/41/42/629084142.db2.gz IFHVXCNXTVQVJG-GFCCVEGCSA-N 1 1 294.399 2.560 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450741 629157395 /nfs/dbraw/zinc/15/73/95/629157395.db2.gz PMEYRXDBMDBIAQ-OQMKEHIESA-N 1 1 292.379 2.995 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249143 629513227 /nfs/dbraw/zinc/51/32/27/629513227.db2.gz DPFYZCHCPMKMOG-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1Cl ZINC000793258928 629516197 /nfs/dbraw/zinc/51/61/97/629516197.db2.gz QCQBQHYIVRCFFR-LLVKDONJSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424976 634742556 /nfs/dbraw/zinc/74/25/56/634742556.db2.gz HTJFIXHWLQHMGN-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423206 634742793 /nfs/dbraw/zinc/74/27/93/634742793.db2.gz WWHNFBLQWJRXLP-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000793362445 629531329 /nfs/dbraw/zinc/53/13/29/629531329.db2.gz SPQVFUTYIOMXKB-UHFFFAOYSA-N 1 1 256.252 2.826 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n(C)n1 ZINC000793607604 629578547 /nfs/dbraw/zinc/57/85/47/629578547.db2.gz SMYOOAVFSIBJDJ-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744192 629828523 /nfs/dbraw/zinc/82/85/23/629828523.db2.gz LLIJVYQRCCNWDZ-TZMCWYRMSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744192 629828530 /nfs/dbraw/zinc/82/85/30/629828530.db2.gz LLIJVYQRCCNWDZ-TZMCWYRMSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745447 629829124 /nfs/dbraw/zinc/82/91/24/629829124.db2.gz PGROMFWSOJGEGX-WFASDCNBSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745447 629829126 /nfs/dbraw/zinc/82/91/26/629829126.db2.gz PGROMFWSOJGEGX-WFASDCNBSA-N 1 1 286.335 2.832 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796532321 629931105 /nfs/dbraw/zinc/93/11/05/629931105.db2.gz DEHFBPBLGKWCQG-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[N@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000804572435 630757183 /nfs/dbraw/zinc/75/71/83/630757183.db2.gz BSGVIZXHPXBKKG-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778554 631046696 /nfs/dbraw/zinc/04/66/96/631046696.db2.gz ZRXUDHNMZHZDTD-ZBFHGGJFSA-N 1 1 290.363 2.750 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)nc1 ZINC000809688850 631263537 /nfs/dbraw/zinc/26/35/37/631263537.db2.gz QAULJEMKGSYHIA-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841693207 631452460 /nfs/dbraw/zinc/45/24/60/631452460.db2.gz TYMOIQLRLCGJEV-NWDGAFQWSA-N 1 1 280.372 2.895 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842167187 631559094 /nfs/dbraw/zinc/55/90/94/631559094.db2.gz SDUHQEMMJANQNJ-ZAZJYDDPSA-N 1 1 278.352 2.605 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000811848440 631632179 /nfs/dbraw/zinc/63/21/79/631632179.db2.gz FBVMDTKDQHYFPQ-NSHDSACASA-N 1 1 293.367 2.938 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[N@H+](C)C(C)C ZINC000811858657 631632997 /nfs/dbraw/zinc/63/29/97/631632997.db2.gz FBVMDTKDQHYFPQ-LLVKDONJSA-N 1 1 293.367 2.938 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@H+](C)C(C)C ZINC000811859107 631633048 /nfs/dbraw/zinc/63/30/48/631633048.db2.gz NAFYHQOHHLZTSX-LLVKDONJSA-N 1 1 293.367 2.938 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000811859095 631633362 /nfs/dbraw/zinc/63/33/62/631633362.db2.gz MQVQOGBPUMCKIU-SNVBAGLBSA-N 1 1 299.346 2.883 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811859593 631633507 /nfs/dbraw/zinc/63/35/07/631633507.db2.gz UXWVHVQKZZBKDS-SNVBAGLBSA-N 1 1 296.327 2.644 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[NH2+]C2CC2)n1 ZINC000843186864 631889038 /nfs/dbraw/zinc/88/90/38/631889038.db2.gz GFEFHHBVNIXPDZ-VIFPVBQESA-N 1 1 288.307 2.766 20 5 CFBDMO Cc1c(-c2noc([C@H](C)[NH2+]C3CC3)n2)cccc1[N+](=O)[O-] ZINC000843238279 631910149 /nfs/dbraw/zinc/91/01/49/631910149.db2.gz NHTJSPGDPUDPFX-VIFPVBQESA-N 1 1 288.307 2.766 20 5 CFBDMO Cc1cc(-c2noc([C@H](C)[NH2+]C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239115 631910768 /nfs/dbraw/zinc/91/07/68/631910768.db2.gz DHLQGWFPJYOIKA-VIFPVBQESA-N 1 1 288.307 2.766 20 5 CFBDMO Cc1nnsc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814174935 632023140 /nfs/dbraw/zinc/02/31/40/632023140.db2.gz NLBYMBCCONAPPE-UHFFFAOYSA-N 1 1 298.755 2.698 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451239 632216969 /nfs/dbraw/zinc/21/69/69/632216969.db2.gz NQLGNFCUPKXHMB-IEBDPFPHSA-N 1 1 268.263 2.853 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451239 632216971 /nfs/dbraw/zinc/21/69/71/632216971.db2.gz NQLGNFCUPKXHMB-IEBDPFPHSA-N 1 1 268.263 2.853 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000815164018 632220846 /nfs/dbraw/zinc/22/08/46/632220846.db2.gz UBFPCTPINALPGM-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000815164018 632220848 /nfs/dbraw/zinc/22/08/48/632220848.db2.gz UBFPCTPINALPGM-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000815177770 632223854 /nfs/dbraw/zinc/22/38/54/632223854.db2.gz VTUUDRGRZWAKHS-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589249 632293325 /nfs/dbraw/zinc/29/33/25/632293325.db2.gz MUMUSIMCCOVGMM-VIFPVBQESA-N 1 1 290.298 2.562 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC000816666974 632508946 /nfs/dbraw/zinc/50/89/46/632508946.db2.gz YWSYUQRGXQTSEW-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847027149 632892534 /nfs/dbraw/zinc/89/25/34/632892534.db2.gz NFJXETNHIXPNKO-AWEZNQCLSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061697 635922081 /nfs/dbraw/zinc/92/20/81/635922081.db2.gz ULDCGQBJAZKDQO-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000848520195 633274075 /nfs/dbraw/zinc/27/40/75/633274075.db2.gz NZUQTUUJPDQXBS-KOLCDFICSA-N 1 1 293.323 2.648 20 5 CFBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848521531 633275134 /nfs/dbraw/zinc/27/51/34/633275134.db2.gz UXSCNMQRNDOJHT-VXNVDRBHSA-N 1 1 283.715 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000849325807 633617780 /nfs/dbraw/zinc/61/77/80/633617780.db2.gz UDXLPEBWSYGMII-AEGPPILISA-N 1 1 276.336 2.503 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850368842 633958479 /nfs/dbraw/zinc/95/84/79/633958479.db2.gz FISYXUBYCKAOHA-ZBFHGGJFSA-N 1 1 284.315 2.863 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])s1 ZINC000853390100 634990485 /nfs/dbraw/zinc/99/04/85/634990485.db2.gz LMLYXQANSCHXBS-SECBINFHSA-N 1 1 269.370 2.861 20 5 CFBDMO C[N@@H+]1C[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000853546525 635033762 /nfs/dbraw/zinc/03/37/62/635033762.db2.gz NZQIDHPHDLIVSM-PHIMTYICSA-N 1 1 297.305 2.530 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000114445182 635834137 /nfs/dbraw/zinc/83/41/37/635834137.db2.gz PVRNDNLUPBQBDD-CQSZACIVSA-N 1 1 276.340 2.571 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000114445182 635834138 /nfs/dbraw/zinc/83/41/38/635834138.db2.gz PVRNDNLUPBQBDD-CQSZACIVSA-N 1 1 276.340 2.571 20 5 CFBDMO CCc1[nH+]c(C)cn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000865392943 638304124 /nfs/dbraw/zinc/30/41/24/638304124.db2.gz SBQXVTJUYUPUNE-UHFFFAOYSA-N 1 1 275.308 2.741 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788141 638574023 /nfs/dbraw/zinc/57/40/23/638574023.db2.gz ZTPQYBZCUNZONV-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000865926093 638661050 /nfs/dbraw/zinc/66/10/50/638661050.db2.gz QJGYEFFMWXUXKB-LLVKDONJSA-N 1 1 281.331 2.654 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000866195574 638767608 /nfs/dbraw/zinc/76/76/08/638767608.db2.gz XLBVTYKJKJZCAF-MRXNPFEDSA-N 1 1 298.346 2.776 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000866195574 638767609 /nfs/dbraw/zinc/76/76/09/638767609.db2.gz XLBVTYKJKJZCAF-MRXNPFEDSA-N 1 1 298.346 2.776 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000866540603 638838903 /nfs/dbraw/zinc/83/89/03/638838903.db2.gz QWYFRBQMSPOOEP-CYBMUJFWSA-N 1 1 286.335 2.724 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866581883 638848449 /nfs/dbraw/zinc/84/84/49/638848449.db2.gz BPQQEIZBJFHSMR-NFAWXSAZSA-N 1 1 289.379 2.682 20 5 CFBDMO CC[N@@H+](CC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121190671 638866901 /nfs/dbraw/zinc/86/69/01/638866901.db2.gz UVLMRACWBLPFAZ-UHFFFAOYSA-N 1 1 288.351 2.942 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000871759361 641441957 /nfs/dbraw/zinc/44/19/57/641441957.db2.gz JHLGHVNWBNQMJT-MWLCHTKSSA-N 1 1 263.297 2.558 20 5 CFBDMO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019966 641550704 /nfs/dbraw/zinc/55/07/04/641550704.db2.gz BDMSUJKXKPIFRA-SKDRFNHKSA-N 1 1 294.282 2.711 20 5 CFBDMO COCC1([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872057075 641590498 /nfs/dbraw/zinc/59/04/98/641590498.db2.gz CFABHWWMZPKNLH-VIFPVBQESA-N 1 1 268.288 2.564 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCF ZINC000872068590 641600178 /nfs/dbraw/zinc/60/01/78/641600178.db2.gz HOOUEWRNZYQJGX-MRVPVSSYSA-N 1 1 258.318 2.937 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129530 641657716 /nfs/dbraw/zinc/65/77/16/641657716.db2.gz JYKQSUUPYDPFJV-JHJVBQTASA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129530 641657720 /nfs/dbraw/zinc/65/77/20/641657720.db2.gz JYKQSUUPYDPFJV-JHJVBQTASA-N 1 1 277.368 2.728 20 5 CFBDMO Cc1c(CNC[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141468 642028713 /nfs/dbraw/zinc/02/87/13/642028713.db2.gz FSSAGAMLIBCNCM-AWEZNQCLSA-N 1 1 291.395 2.725 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000876566154 642926732 /nfs/dbraw/zinc/92/67/32/642926732.db2.gz AEZKYBGTWDTUER-ZDUSSCGKSA-N 1 1 278.352 2.822 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766750 650833494 /nfs/dbraw/zinc/83/34/94/650833494.db2.gz RJQRLHDIPGELKZ-VXGBXAGGSA-N 1 1 288.351 2.880 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000877629114 643413608 /nfs/dbraw/zinc/41/36/08/643413608.db2.gz QMFZJQFFABTCST-ATCWAGBWSA-N 1 1 292.379 2.660 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877737722 643498177 /nfs/dbraw/zinc/49/81/77/643498177.db2.gz HWOJISQIJJHMFJ-STQMWFEESA-N 1 1 278.377 2.780 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877796277 643562569 /nfs/dbraw/zinc/56/25/69/643562569.db2.gz BSGVDBUVVZFICI-LBPRGKRZSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)CO1 ZINC000877916542 643639890 /nfs/dbraw/zinc/63/98/90/643639890.db2.gz FVVDLHKTQJWLBO-CQSZACIVSA-N 1 1 290.363 2.986 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)CO1 ZINC000877916542 643639892 /nfs/dbraw/zinc/63/98/92/643639892.db2.gz FVVDLHKTQJWLBO-CQSZACIVSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000878319888 643838340 /nfs/dbraw/zinc/83/83/40/643838340.db2.gz CQSVDLKDHXOUEY-NSHDSACASA-N 1 1 270.279 2.990 20 5 CFBDMO Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000878475333 643907756 /nfs/dbraw/zinc/90/77/56/643907756.db2.gz MCUXRDLGKKBLRP-DABQJJPHSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533482 643931874 /nfs/dbraw/zinc/93/18/74/643931874.db2.gz POCBLYIZDWLZEB-NXEZZACHSA-N 1 1 288.307 2.628 20 5 CFBDMO Cc1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000878700467 643996576 /nfs/dbraw/zinc/99/65/76/643996576.db2.gz RFKPCAMWZMLNAD-UHFFFAOYSA-N 1 1 290.363 2.783 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000879684064 644379078 /nfs/dbraw/zinc/37/90/78/644379078.db2.gz FMIJDWXJUFUPPS-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000880188296 644570647 /nfs/dbraw/zinc/57/06/47/644570647.db2.gz YMGMHAFKITZQTE-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000880188296 644570650 /nfs/dbraw/zinc/57/06/50/644570650.db2.gz YMGMHAFKITZQTE-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237992 644600895 /nfs/dbraw/zinc/60/08/95/644600895.db2.gz MJAABWOQLWXMJO-NSHDSACASA-N 1 1 282.315 2.785 20 5 CFBDMO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774628 650963082 /nfs/dbraw/zinc/96/30/82/650963082.db2.gz KWOYZAQBKVQQKW-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774628 650963083 /nfs/dbraw/zinc/96/30/83/650963083.db2.gz KWOYZAQBKVQQKW-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000129621868 645295504 /nfs/dbraw/zinc/29/55/04/645295504.db2.gz VONWIQLWMMTUGT-CYBMUJFWSA-N 1 1 280.372 2.876 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000882959110 645528329 /nfs/dbraw/zinc/52/83/29/645528329.db2.gz VFLFNXTXLXKERE-LBPRGKRZSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000882959644 645530706 /nfs/dbraw/zinc/53/07/06/645530706.db2.gz MHFLVSJWAYQAIX-LBPRGKRZSA-N 1 1 291.351 2.694 20 5 CFBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000882959644 645530712 /nfs/dbraw/zinc/53/07/12/645530712.db2.gz MHFLVSJWAYQAIX-LBPRGKRZSA-N 1 1 291.351 2.694 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000882961162 645531742 /nfs/dbraw/zinc/53/17/42/645531742.db2.gz HGZXQDWKJBKKRW-ZDUSSCGKSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000885951609 646778396 /nfs/dbraw/zinc/77/83/96/646778396.db2.gz LOHBEPDSAJAWJH-SNVBAGLBSA-N 1 1 251.330 2.856 20 5 CFBDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021183 646823352 /nfs/dbraw/zinc/82/33/52/646823352.db2.gz QRPRJTYRHRMRDB-GFCCVEGCSA-N 1 1 283.331 2.937 20 5 CFBDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021183 646823357 /nfs/dbraw/zinc/82/33/57/646823357.db2.gz QRPRJTYRHRMRDB-GFCCVEGCSA-N 1 1 283.331 2.937 20 5 CFBDMO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886107763 646875594 /nfs/dbraw/zinc/87/55/94/646875594.db2.gz ZJNBMPZTRDLKMQ-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886124832 646882548 /nfs/dbraw/zinc/88/25/48/646882548.db2.gz BRPZBQXKHPQGJE-SNVBAGLBSA-N 1 1 292.364 2.682 20 5 CFBDMO C[C@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886124832 646882553 /nfs/dbraw/zinc/88/25/53/646882553.db2.gz BRPZBQXKHPQGJE-SNVBAGLBSA-N 1 1 292.364 2.682 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000218795158 646927893 /nfs/dbraw/zinc/92/78/93/646927893.db2.gz PPJFLUJOCPHDQZ-JTQLQIEISA-N 1 1 269.320 2.876 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560145 647047340 /nfs/dbraw/zinc/04/73/40/647047340.db2.gz PGORMTIFUUITCG-AOOOYVTPSA-N 1 1 282.340 2.529 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000886821378 647152578 /nfs/dbraw/zinc/15/25/78/647152578.db2.gz BOOZUHNQCLJSGU-WFASDCNBSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832497 647156432 /nfs/dbraw/zinc/15/64/32/647156432.db2.gz JGFSCRSZZFYTCZ-HOCLYGCPSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886836086 647157240 /nfs/dbraw/zinc/15/72/40/647157240.db2.gz VLQRBARUWNWFSB-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000926796776 648619797 /nfs/dbraw/zinc/61/97/97/648619797.db2.gz PLGPZVPLECUEAV-SNVBAGLBSA-N 1 1 291.307 2.751 20 5 CFBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000926796769 648620137 /nfs/dbraw/zinc/62/01/37/648620137.db2.gz PLGPZVPLECUEAV-JTQLQIEISA-N 1 1 291.307 2.751 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000929502081 649061983 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Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929988482 649161339 /nfs/dbraw/zinc/16/13/39/649161339.db2.gz UDZBHAHAWQEJJR-UHFFFAOYSA-N 1 1 285.347 2.842 20 5 CFBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929988482 649161340 /nfs/dbraw/zinc/16/13/40/649161340.db2.gz UDZBHAHAWQEJJR-UHFFFAOYSA-N 1 1 285.347 2.842 20 5 CFBDMO Cc1nc(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000930352648 649236186 /nfs/dbraw/zinc/23/61/86/649236186.db2.gz BKHNGESWQRUCCC-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOC3CC3)C2)cc1 ZINC000930635825 649293603 /nfs/dbraw/zinc/29/36/03/649293603.db2.gz AHYCMVUXXCDOJT-AWEZNQCLSA-N 1 1 290.363 2.953 20 5 CFBDMO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932262963 649570731 /nfs/dbraw/zinc/57/07/31/649570731.db2.gz YNYYBPWQWKQJND-HNNXBMFYSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932262963 649570734 /nfs/dbraw/zinc/57/07/34/649570734.db2.gz YNYYBPWQWKQJND-HNNXBMFYSA-N 1 1 286.335 2.665 20 5 CFBDMO CCO[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932975554 649665871 /nfs/dbraw/zinc/66/58/71/649665871.db2.gz VHSMWHWPZJKUJL-NEPJUHHUSA-N 1 1 264.325 2.767 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115159 649752113 /nfs/dbraw/zinc/75/21/13/649752113.db2.gz FNFNMMDBLOIVDS-OLZOCXBDSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115159 649752115 /nfs/dbraw/zinc/75/21/15/649752115.db2.gz FNFNMMDBLOIVDS-OLZOCXBDSA-N 1 1 284.743 2.857 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000934336820 649776434 /nfs/dbraw/zinc/77/64/34/649776434.db2.gz GYXNDCAAPNFJKD-CQDKDKBSSA-N 1 1 276.336 2.503 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000305725305 651073544 /nfs/dbraw/zinc/07/35/44/651073544.db2.gz GJMREWUHLHMDSO-JSGCOSHPSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1cnc(CO[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001224185740 775122709 /nfs/dbraw/zinc/12/27/09/775122709.db2.gz NIIFTVDHSBKNHN-CYBMUJFWSA-N 1 1 293.367 2.606 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381083 775435331 /nfs/dbraw/zinc/43/53/31/775435331.db2.gz CNKGFQMQILYHFS-NSHDSACASA-N 1 1 268.288 2.595 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225430796 775454018 /nfs/dbraw/zinc/45/40/18/775454018.db2.gz GRPFHLJHDFFNEN-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001225575775 775507893 /nfs/dbraw/zinc/50/78/93/775507893.db2.gz WNWBNNZUIFJSIJ-GDNZZTSVSA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001225776695 775589393 /nfs/dbraw/zinc/58/93/93/775589393.db2.gz LASSHGLTJGRYCY-MYJAWHEDSA-N 1 1 298.289 2.877 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225913328 775632367 /nfs/dbraw/zinc/63/23/67/775632367.db2.gz CLMLXDRVYLDUHV-SECBINFHSA-N 1 1 290.241 2.697 20 5 CFBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225912370 775632777 /nfs/dbraw/zinc/63/27/77/775632777.db2.gz HVVRKTAOHDXODK-UHFFFAOYSA-N 1 1 268.288 2.595 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c(F)cccc1[N+](=O)[O-] ZINC001226008889 775666236 /nfs/dbraw/zinc/66/62/36/775666236.db2.gz JAUNEJGIYHNTPC-YABSGUDNSA-N 1 1 294.326 2.843 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226266824 775763935 /nfs/dbraw/zinc/76/39/35/775763935.db2.gz ZCBXPRWRLLXFAD-LLVKDONJSA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743826 775944223 /nfs/dbraw/zinc/94/42/23/775944223.db2.gz IILQKFGOXUDPSA-SNVBAGLBSA-N 1 1 286.278 2.735 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908082 776012228 /nfs/dbraw/zinc/01/22/28/776012228.db2.gz CBSYOWWMLCOEMT-MRVPVSSYSA-N 1 1 288.706 2.860 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226963620 776036913 /nfs/dbraw/zinc/03/69/13/776036913.db2.gz FCBPDSGEJCXWTH-VIFPVBQESA-N 1 1 290.241 2.697 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226963619 776036999 /nfs/dbraw/zinc/03/69/99/776036999.db2.gz FCBPDSGEJCXWTH-SECBINFHSA-N 1 1 290.241 2.697 20 5 CFBDMO CC(C)(C)[NH+]1CC(Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233750 776148391 /nfs/dbraw/zinc/14/83/91/776148391.db2.gz GNLYVWVRKXTNGN-UHFFFAOYSA-N 1 1 291.307 2.598 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227237677 776151517 /nfs/dbraw/zinc/15/15/17/776151517.db2.gz KCBHNJRLIDOGNR-SNVBAGLBSA-N 1 1 291.307 2.598 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760328 776294862 /nfs/dbraw/zinc/29/48/62/776294862.db2.gz ONAWSPFXTLCOCW-CQSZACIVSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC001222767596 776296551 /nfs/dbraw/zinc/29/65/51/776296551.db2.gz BHSBFXSWUKKFAR-CQSZACIVSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228054817 776378614 /nfs/dbraw/zinc/37/86/14/776378614.db2.gz PIISVPWYXSBUMW-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167786116 776390164 /nfs/dbraw/zinc/39/01/64/776390164.db2.gz LLGYXRFTQZNAKC-UHFFFAOYSA-N 1 1 297.318 2.974 20 5 CFBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001228452361 776495515 /nfs/dbraw/zinc/49/55/15/776495515.db2.gz IKEXBDKGAXZNLG-LBPRGKRZSA-N 1 1 292.335 2.579 20 5 CFBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001228452361 776495520 /nfs/dbraw/zinc/49/55/20/776495520.db2.gz IKEXBDKGAXZNLG-LBPRGKRZSA-N 1 1 292.335 2.579 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228613012 776539715 /nfs/dbraw/zinc/53/97/15/776539715.db2.gz NJHFNKWFFIUQQQ-SNVBAGLBSA-N 1 1 286.278 2.735 20 5 CFBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228833868 776625745 /nfs/dbraw/zinc/62/57/45/776625745.db2.gz SUQGNHUBNKRLGR-ZDUSSCGKSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001230722823 777050437 /nfs/dbraw/zinc/05/04/37/777050437.db2.gz AVVIMLDGECWTHG-GFCCVEGCSA-N 1 1 287.319 2.802 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904464 777330279 /nfs/dbraw/zinc/33/02/79/777330279.db2.gz DMHVVTYZLQWHQM-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225955306 777346346 /nfs/dbraw/zinc/34/63/46/777346346.db2.gz CNYNABDELYMVBN-VIFPVBQESA-N 1 1 290.241 2.697 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226130791 777445269 /nfs/dbraw/zinc/44/52/69/777445269.db2.gz VAKFAGCISAQONO-SNVBAGLBSA-N 1 1 285.731 2.505 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226254733 777489030 /nfs/dbraw/zinc/48/90/30/777489030.db2.gz CYBJPCFFTHDRAN-SNVBAGLBSA-N 1 1 285.731 2.505 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233716004 778051490 /nfs/dbraw/zinc/05/14/90/778051490.db2.gz LEIOHJAWCNCRTR-NSHDSACASA-N 1 1 299.758 2.895 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765326 778070114 /nfs/dbraw/zinc/07/01/14/778070114.db2.gz UAWUIKUBLAUIIF-SECBINFHSA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1cc(F)c(O[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234059185 778155024 /nfs/dbraw/zinc/15/50/24/778155024.db2.gz JCYGEFUNHKJXFQ-LLVKDONJSA-N 1 1 282.315 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000699208051 779219812 /nfs/dbraw/zinc/21/98/12/779219812.db2.gz OSICDZPQFHSTLT-GHMZBOCLSA-N 1 1 250.273 2.576 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000699906267 779421159 /nfs/dbraw/zinc/42/11/59/779421159.db2.gz APGCVQSLFZJESJ-UHFFFAOYSA-N 1 1 279.271 2.708 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000701666061 780821849 /nfs/dbraw/zinc/82/18/49/780821849.db2.gz IHOINQCJVIBYKM-GFCCVEGCSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000701666061 780821860 /nfs/dbraw/zinc/82/18/60/780821860.db2.gz IHOINQCJVIBYKM-GFCCVEGCSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)ccc1Cl ZINC000707001338 781220364 /nfs/dbraw/zinc/22/03/64/781220364.db2.gz NQHHYGOUHYZLLU-GXSJLCMTSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1Cl ZINC000707001338 781220371 /nfs/dbraw/zinc/22/03/71/781220371.db2.gz NQHHYGOUHYZLLU-GXSJLCMTSA-N 1 1 252.701 2.842 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000709935543 781323654 /nfs/dbraw/zinc/32/36/54/781323654.db2.gz SZGJLVIBVJLWSW-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000710268739 781330863 /nfs/dbraw/zinc/33/08/63/781330863.db2.gz PQQOTRQTCWEVJQ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000710268739 781330867 /nfs/dbraw/zinc/33/08/67/781330867.db2.gz PQQOTRQTCWEVJQ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000594505487 349433659 /nfs/dbraw/zinc/43/36/59/349433659.db2.gz WRYRCMOCIMFPFB-BXUZGUMPSA-N 1 1 286.335 2.977 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594519868 349440117 /nfs/dbraw/zinc/44/01/17/349440117.db2.gz MEVZPXZSMGOBCZ-HZPDHXFCSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594519868 349440120 /nfs/dbraw/zinc/44/01/20/349440120.db2.gz MEVZPXZSMGOBCZ-HZPDHXFCSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594601970 349458456 /nfs/dbraw/zinc/45/84/56/349458456.db2.gz QDGDVNLDOMRGPO-QWHCGFSZSA-N 1 1 294.330 2.558 20 5 CFBDMO Cc1c[nH]c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594937302 349518510 /nfs/dbraw/zinc/51/85/10/349518510.db2.gz JXPQSSBDNWCETE-UHFFFAOYSA-N 1 1 274.324 2.651 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000594969708 349535312 /nfs/dbraw/zinc/53/53/12/349535312.db2.gz ZQHDIFMSZCFGAE-OAHLLOKOSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594969708 349535314 /nfs/dbraw/zinc/53/53/14/349535314.db2.gz ZQHDIFMSZCFGAE-OAHLLOKOSA-N 1 1 291.395 2.866 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083127053 178339516 /nfs/dbraw/zinc/33/95/16/178339516.db2.gz QHDFQLXNRFFMSW-JTQLQIEISA-N 1 1 275.308 2.968 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083168832 178348212 /nfs/dbraw/zinc/34/82/12/178348212.db2.gz KSUFUDWCPBBRDI-UHFFFAOYSA-N 1 1 261.281 2.578 20 5 CFBDMO C[C@@H](O)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000595008456 349547476 /nfs/dbraw/zinc/54/74/76/349547476.db2.gz SYSHQXJPZKNTBA-YGRLFVJLSA-N 1 1 292.360 2.868 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nccn1C ZINC000595110226 349583184 /nfs/dbraw/zinc/58/31/84/349583184.db2.gz YZYNDQKZVLOWFZ-ZWNOBZJWSA-N 1 1 286.335 2.666 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595324438 349602468 /nfs/dbraw/zinc/60/24/68/349602468.db2.gz FOKFOBXVKXQIRH-WPRPVWTQSA-N 1 1 253.302 2.512 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330162 349603457 /nfs/dbraw/zinc/60/34/57/349603457.db2.gz KAUFDZDKXSRYCL-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291967 349592024 /nfs/dbraw/zinc/59/20/24/349592024.db2.gz NPUQWHUZQWOMQY-SECBINFHSA-N 1 1 252.289 2.964 20 5 CFBDMO CCOC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595294663 349593419 /nfs/dbraw/zinc/59/34/19/349593419.db2.gz BFFZITLPGUWEER-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595295444 349593779 /nfs/dbraw/zinc/59/37/79/349593779.db2.gz FWIHNKAAYVYODS-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342330 349606077 /nfs/dbraw/zinc/60/60/77/349606077.db2.gz AWCVJUKWAAIZAR-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000595396511 349616277 /nfs/dbraw/zinc/61/62/77/349616277.db2.gz WNSNZJALFDWTSU-DGCLKSJQSA-N 1 1 294.326 2.592 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000595409582 349618056 /nfs/dbraw/zinc/61/80/56/349618056.db2.gz XPFCXRBXGVVLPY-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO CCc1nocc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595422294 349620668 /nfs/dbraw/zinc/62/06/68/349620668.db2.gz KWSDJIHCNBSVHU-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428052 349623298 /nfs/dbraw/zinc/62/32/98/349623298.db2.gz ZIFBASAHSANOEJ-YGRLFVJLSA-N 1 1 279.340 2.903 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443187 349627689 /nfs/dbraw/zinc/62/76/89/349627689.db2.gz ZSJPNFHZTJPYKA-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447342 349628741 /nfs/dbraw/zinc/62/87/41/349628741.db2.gz CINQYVONBZFKPQ-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457163 349632710 /nfs/dbraw/zinc/63/27/10/349632710.db2.gz ATHHAOMPBCKZMX-GYSYKLTISA-N 1 1 296.342 2.715 20 5 CFBDMO CC(C)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595460322 349633478 /nfs/dbraw/zinc/63/34/78/349633478.db2.gz GMRVWZKRUIRRDF-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595522506 349650137 /nfs/dbraw/zinc/65/01/37/349650137.db2.gz KTILUYYZRLVXQF-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595522506 349650139 /nfs/dbraw/zinc/65/01/39/349650139.db2.gz KTILUYYZRLVXQF-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000595500440 349643384 /nfs/dbraw/zinc/64/33/84/349643384.db2.gz JLTUORDQUUGMAP-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595504670 349644875 /nfs/dbraw/zinc/64/48/75/349644875.db2.gz GHTFDKPETIOBDZ-GHMZBOCLSA-N 1 1 279.340 2.902 20 5 CFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595507478 349646041 /nfs/dbraw/zinc/64/60/41/349646041.db2.gz OJTABAVGLIFQNF-MRXNPFEDSA-N 1 1 289.379 2.513 20 5 CFBDMO Cc1noc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595540924 349654646 /nfs/dbraw/zinc/65/46/46/349654646.db2.gz AEJKOUAJRSDQFA-QMMMGPOBSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595542084 349655605 /nfs/dbraw/zinc/65/56/05/349655605.db2.gz LSJXMDCKRDVLJR-LLVKDONJSA-N 1 1 265.313 2.513 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595695332 349705903 /nfs/dbraw/zinc/70/59/03/349705903.db2.gz GSLGOCNUEMVJAM-ZYHUDNBSSA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000595749310 349722453 /nfs/dbraw/zinc/72/24/53/349722453.db2.gz KKKKMZNDFDYMAC-UHFFFAOYSA-N 1 1 294.399 2.940 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704781 349711467 /nfs/dbraw/zinc/71/14/67/349711467.db2.gz VJTDFGRZERUMKZ-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595830889 349745919 /nfs/dbraw/zinc/74/59/19/349745919.db2.gz MWRRSLMUNUHSPJ-NEPJUHHUSA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873278 349759765 /nfs/dbraw/zinc/75/97/65/349759765.db2.gz LFHGYVFEFJCECV-HEHGZKQESA-N 1 1 292.379 2.915 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595833757 349747046 /nfs/dbraw/zinc/74/70/46/349747046.db2.gz LYGHJRCNNDZWNZ-LBPRGKRZSA-N 1 1 279.340 2.903 20 5 CFBDMO Cc1c(NC(=O)C[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000072827271 346942393 /nfs/dbraw/zinc/94/23/93/346942393.db2.gz VYJNHEJWAMPVHY-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1c(NC(=O)C[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000072827271 346942397 /nfs/dbraw/zinc/94/23/97/346942397.db2.gz VYJNHEJWAMPVHY-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cnc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309311 349859128 /nfs/dbraw/zinc/85/91/28/349859128.db2.gz YJINQEJFCYRJLD-LBPRGKRZSA-N 1 1 292.383 2.831 20 5 CFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413084322 529918419 /nfs/dbraw/zinc/91/84/19/529918419.db2.gz NCUWGBNUVCBMHU-UHFFFAOYSA-N 1 1 296.346 2.805 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074766038 347031251 /nfs/dbraw/zinc/03/12/51/347031251.db2.gz FZMQGIBXXTXSGJ-UHFFFAOYSA-N 1 1 289.339 2.695 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000596570388 349944360 /nfs/dbraw/zinc/94/43/60/349944360.db2.gz JNNKNLRWYIVTGE-CYBMUJFWSA-N 1 1 290.367 2.524 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000075638592 347089573 /nfs/dbraw/zinc/08/95/73/347089573.db2.gz XWUQQOVMZAFELC-JTQLQIEISA-N 1 1 252.339 2.705 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000027136018 346268038 /nfs/dbraw/zinc/26/80/38/346268038.db2.gz HKOJCERIIOSQAR-SNVBAGLBSA-N 1 1 293.367 2.560 20 5 CFBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037153311 346327887 /nfs/dbraw/zinc/32/78/87/346327887.db2.gz IMZSCSCXUKNNMO-CYBMUJFWSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000063527596 346702931 /nfs/dbraw/zinc/70/29/31/346702931.db2.gz VUMSNUFUKAVZDJ-INIZCTEOSA-N 1 1 289.379 2.513 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C ZINC000061758404 346682572 /nfs/dbraw/zinc/68/25/72/346682572.db2.gz LZLKCJHQORSEEJ-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000066808912 346780476 /nfs/dbraw/zinc/78/04/76/346780476.db2.gz DPHIVKDLKKEROJ-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000066808914 346780591 /nfs/dbraw/zinc/78/05/91/346780591.db2.gz DPHIVKDLKKEROJ-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO COc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000075895280 347106997 /nfs/dbraw/zinc/10/69/97/347106997.db2.gz PCHOXWGBHSJKDZ-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078662182 347268247 /nfs/dbraw/zinc/26/82/47/347268247.db2.gz JNQDHZMHCMSERW-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000080923790 347385904 /nfs/dbraw/zinc/38/59/04/347385904.db2.gz 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ZINC000309724478 348407497 /nfs/dbraw/zinc/40/74/97/348407497.db2.gz NBTMTRFYYJHDGB-AWEZNQCLSA-N 1 1 298.346 2.676 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328205500 348440859 /nfs/dbraw/zinc/44/08/59/348440859.db2.gz TXIOXHOQLILOIY-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404314095 348590131 /nfs/dbraw/zinc/59/01/31/348590131.db2.gz AFADDNVFJLPFQQ-TZMCWYRMSA-N 1 1 277.368 2.544 20 5 CFBDMO C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404314093 348590728 /nfs/dbraw/zinc/59/07/28/348590728.db2.gz AFADDNVFJLPFQQ-JSGCOSHPSA-N 1 1 277.368 2.544 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCCO)C1CC1 ZINC000404393882 348591384 /nfs/dbraw/zinc/59/13/84/348591384.db2.gz ZZPOGWGFMNQZAT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404444379 348592273 /nfs/dbraw/zinc/59/22/73/348592273.db2.gz WJUJHJLWKXZCNN-IUODEOHRSA-N 1 1 277.368 2.544 20 5 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CCCC[N@@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000611411888 351684936 /nfs/dbraw/zinc/68/49/36/351684936.db2.gz AWLCSPPPMMJVHI-UHFFFAOYSA-N 1 1 257.359 2.800 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000611481176 351696078 /nfs/dbraw/zinc/69/60/78/351696078.db2.gz SURJZXCJCPPLRF-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000611509794 351701633 /nfs/dbraw/zinc/70/16/33/351701633.db2.gz DRKYRYHPZYXJFL-UHFFFAOYSA-N 1 1 281.381 2.721 20 5 CFBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520946 351703509 /nfs/dbraw/zinc/70/35/09/351703509.db2.gz FOUIKGCNASAEST-SNVBAGLBSA-N 1 1 274.324 2.520 20 5 CFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccs1 ZINC000611538821 351706102 /nfs/dbraw/zinc/70/61/02/351706102.db2.gz DYGYNLMJZZSBJP-UHFFFAOYSA-N 1 1 294.380 2.683 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611579982 351712271 /nfs/dbraw/zinc/71/22/71/351712271.db2.gz ONJNMEWGYVBFEK-GFCCVEGCSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611579982 351712274 /nfs/dbraw/zinc/71/22/74/351712274.db2.gz ONJNMEWGYVBFEK-GFCCVEGCSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611579984 351712425 /nfs/dbraw/zinc/71/24/25/351712425.db2.gz ONJNMEWGYVBFEK-LBPRGKRZSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611579984 351712430 /nfs/dbraw/zinc/71/24/30/351712430.db2.gz ONJNMEWGYVBFEK-LBPRGKRZSA-N 1 1 286.278 2.798 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000611616496 351714599 /nfs/dbraw/zinc/71/45/99/351714599.db2.gz UEPGOZJQHMUORL-ZDUSSCGKSA-N 1 1 290.367 2.503 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000611616322 351714676 /nfs/dbraw/zinc/71/46/76/351714676.db2.gz WHZDFZYYIPSLLR-NSHDSACASA-N 1 1 278.356 2.501 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123342044 187086224 /nfs/dbraw/zinc/08/62/24/187086224.db2.gz QDUKZFUGKQXTJS-SWLSCSKDSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342044 187086225 /nfs/dbraw/zinc/08/62/25/187086225.db2.gz QDUKZFUGKQXTJS-SWLSCSKDSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342044 187086226 /nfs/dbraw/zinc/08/62/26/187086226.db2.gz QDUKZFUGKQXTJS-SWLSCSKDSA-N 1 1 277.368 2.509 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123630058 187101546 /nfs/dbraw/zinc/10/15/46/187101546.db2.gz QDTSLRRIKLYKLY-DOMZBBRYSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123630058 187101547 /nfs/dbraw/zinc/10/15/47/187101547.db2.gz QDTSLRRIKLYKLY-DOMZBBRYSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123630058 187101548 /nfs/dbraw/zinc/10/15/48/187101548.db2.gz QDTSLRRIKLYKLY-DOMZBBRYSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123644575 187102296 /nfs/dbraw/zinc/10/22/96/187102296.db2.gz CNASNPKRHUDGTP-JQWIXIFHSA-N 1 1 283.397 2.571 20 5 CFBDMO C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123737285 187106889 /nfs/dbraw/zinc/10/68/89/187106889.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 1 1 291.395 2.552 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])s2)C1 ZINC000617454925 352566283 /nfs/dbraw/zinc/56/62/83/352566283.db2.gz PBIJBOUWQWMVGY-QWRGUYRKSA-N 1 1 281.381 2.577 20 5 CFBDMO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592661 191230023 /nfs/dbraw/zinc/23/00/23/191230023.db2.gz FZTKDVADZJMIJE-NWDGAFQWSA-N 1 1 293.367 2.550 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000618175369 352730130 /nfs/dbraw/zinc/73/01/30/352730130.db2.gz VZBYUXDOOZKQSG-UHFFFAOYSA-N 1 1 278.356 2.524 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000292329054 198246758 /nfs/dbraw/zinc/24/67/58/198246758.db2.gz ASIYHRDMFHBAJT-LBPRGKRZSA-N 1 1 295.358 2.820 20 5 CFBDMO C[C@H](O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153899639 188110961 /nfs/dbraw/zinc/11/09/61/188110961.db2.gz HUCWNMPSWKOGAR-JTQLQIEISA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292450605 198293894 /nfs/dbraw/zinc/29/38/94/198293894.db2.gz PJKHOYXMSJUQOL-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292450605 198293896 /nfs/dbraw/zinc/29/38/96/198293896.db2.gz PJKHOYXMSJUQOL-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO Cc1c(C[N@H+](C)C2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000156255879 188251527 /nfs/dbraw/zinc/25/15/27/188251527.db2.gz ZQYYVPZJJGPCOB-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000449788351 535226683 /nfs/dbraw/zinc/22/66/83/535226683.db2.gz XRFUCWYGDDDYQF-GFCCVEGCSA-N 1 1 283.397 2.571 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342115754 535226037 /nfs/dbraw/zinc/22/60/37/535226037.db2.gz AJOKEVNSOJYFGX-UHFFFAOYSA-N 1 1 293.367 2.941 20 5 CFBDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157864612 188342880 /nfs/dbraw/zinc/34/28/80/188342880.db2.gz GYTYFRNCKBMUGV-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000271764112 191313401 /nfs/dbraw/zinc/31/34/01/191313401.db2.gz PJSBKHDRWGHGOE-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352464 199008550 /nfs/dbraw/zinc/00/85/50/199008550.db2.gz PWYRJGQJEDDHAW-VXGBXAGGSA-N 1 1 294.399 2.556 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352464 199008551 /nfs/dbraw/zinc/00/85/51/199008551.db2.gz PWYRJGQJEDDHAW-VXGBXAGGSA-N 1 1 294.399 2.556 20 5 CFBDMO CCC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296879837 200023977 /nfs/dbraw/zinc/02/39/77/200023977.db2.gz WVDOQZDZUWNETQ-HNNXBMFYSA-N 1 1 278.352 2.720 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000177335508 189044439 /nfs/dbraw/zinc/04/44/39/189044439.db2.gz BPJMPQSWTNMWMN-ZBFHGGJFSA-N 1 1 289.379 2.653 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000177209344 189036917 /nfs/dbraw/zinc/03/69/17/189036917.db2.gz ILUDRMZPNAVJOA-NXEZZACHSA-N 1 1 275.308 2.966 20 5 CFBDMO CC(C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865157 189151416 /nfs/dbraw/zinc/15/14/16/189151416.db2.gz VPALTRFRSRWEMP-BBRMVZONSA-N 1 1 292.379 2.996 20 5 CFBDMO CC(C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865168 189151553 /nfs/dbraw/zinc/15/15/53/189151553.db2.gz VPALTRFRSRWEMP-CJNGLKHVSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179396271 189190995 /nfs/dbraw/zinc/19/09/95/189190995.db2.gz IOHZKRWTMUXFLD-GFCCVEGCSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301442038 201010369 /nfs/dbraw/zinc/01/03/69/201010369.db2.gz PDOJWFNMXPLAGO-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000301465393 201018859 /nfs/dbraw/zinc/01/88/59/201018859.db2.gz HJMLGEBNEJLGKS-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1cnc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301466992 201018922 /nfs/dbraw/zinc/01/89/22/201018922.db2.gz XUSWQTARWHRWNU-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO CCCC[N@@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000182153856 189315787 /nfs/dbraw/zinc/31/57/87/189315787.db2.gz LYXGGPIBRJMWHR-UHFFFAOYSA-N 1 1 280.368 2.622 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000183295188 189353631 /nfs/dbraw/zinc/35/36/31/189353631.db2.gz CGIPJHIPBCESJW-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183388615 189357841 /nfs/dbraw/zinc/35/78/41/189357841.db2.gz KJHLBMUFCIJFEZ-ZDUSSCGKSA-N 1 1 278.352 2.762 20 5 CFBDMO COc1cc(C[N@@H+](C)CC2CC2)c([N+](=O)[O-])cc1F ZINC000184247393 189380610 /nfs/dbraw/zinc/38/06/10/189380610.db2.gz ZQTFECQGWYQLOR-UHFFFAOYSA-N 1 1 268.288 2.584 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000184501693 189387622 /nfs/dbraw/zinc/38/76/22/189387622.db2.gz HCXNXNIMBAYNNM-CQSZACIVSA-N 1 1 290.319 2.710 20 5 CFBDMO O=[N+]([O-])c1ccsc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000302012598 201297333 /nfs/dbraw/zinc/29/73/33/201297333.db2.gz ZIKFNCWVQNLQDZ-SECBINFHSA-N 1 1 278.337 2.763 20 5 CFBDMO COCC(C)(C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426419278 239223574 /nfs/dbraw/zinc/22/35/74/239223574.db2.gz INKMRFGQSIBSAI-UHFFFAOYSA-N 1 1 278.352 2.626 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435433403 240314465 /nfs/dbraw/zinc/31/44/65/240314465.db2.gz NKNYRDBJOKGDFJ-KEDPEKRHSA-N 1 1 289.379 2.682 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435433406 240315241 /nfs/dbraw/zinc/31/52/41/240315241.db2.gz NKNYRDBJOKGDFJ-ZQMJAJRESA-N 1 1 289.379 2.682 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330925 241051383 /nfs/dbraw/zinc/05/13/83/241051383.db2.gz USPMPWQFYMKBPR-UEKVPHQBSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000446086325 241278034 /nfs/dbraw/zinc/27/80/34/241278034.db2.gz YWFGCVUKEQLHSP-AGIUHOORSA-N 1 1 278.352 2.635 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000446715862 241315530 /nfs/dbraw/zinc/31/55/30/241315530.db2.gz FPCOAGHQDHSKSW-CYBMUJFWSA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000449528398 242005393 /nfs/dbraw/zinc/00/53/93/242005393.db2.gz PCDGBPJGDYWWEL-CQSZACIVSA-N 1 1 278.377 2.922 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449566375 242036459 /nfs/dbraw/zinc/03/64/59/242036459.db2.gz OECXHDYKAFRAHL-GFCCVEGCSA-N 1 1 283.397 2.572 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cs1 ZINC000449681072 242105058 /nfs/dbraw/zinc/10/50/58/242105058.db2.gz DKNWGIHUPQLRAN-CYBMUJFWSA-N 1 1 282.365 2.659 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cs1 ZINC000449681072 242105063 /nfs/dbraw/zinc/10/50/63/242105063.db2.gz DKNWGIHUPQLRAN-CYBMUJFWSA-N 1 1 282.365 2.659 20 5 CFBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452070704 243034769 /nfs/dbraw/zinc/03/47/69/243034769.db2.gz GMLCOBYNHSOPPR-GFCCVEGCSA-N 1 1 280.372 2.549 20 5 CFBDMO C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614983 203041479 /nfs/dbraw/zinc/04/14/79/203041479.db2.gz UATVQIIBKWCKKB-KGLIPLIRSA-N 1 1 292.379 2.884 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330709232 203140896 /nfs/dbraw/zinc/14/08/96/203140896.db2.gz OEJBJNHXYIHXGO-HUUCEWRRSA-N 1 1 292.379 2.824 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851233 203312059 /nfs/dbraw/zinc/31/20/59/203312059.db2.gz NOGMSIMIRRSEMC-JQWIXIFHSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276418190 193322730 /nfs/dbraw/zinc/32/27/30/193322730.db2.gz HZTHDPRFPGZLHV-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO COCC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459625599 245247542 /nfs/dbraw/zinc/24/75/42/245247542.db2.gz XZNDXMYYEMRSBK-FNORWQNLSA-N 1 1 276.336 2.576 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cs1 ZINC000459725504 245284761 /nfs/dbraw/zinc/28/47/61/245284761.db2.gz QAACJRAKHAZUFF-VXGBXAGGSA-N 1 1 294.376 2.657 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cs1 ZINC000459725504 245284769 /nfs/dbraw/zinc/28/47/69/245284769.db2.gz QAACJRAKHAZUFF-VXGBXAGGSA-N 1 1 294.376 2.657 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459801084 245335733 /nfs/dbraw/zinc/33/57/33/245335733.db2.gz XDNMAJVMLBNLKI-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332297607 204579862 /nfs/dbraw/zinc/57/98/62/204579862.db2.gz URWJKGTYWIZFGH-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000020094659 372231251 /nfs/dbraw/zinc/23/12/51/372231251.db2.gz KRVYJVARXMXGKI-UHFFFAOYSA-N 1 1 291.395 2.949 20 5 CFBDMO CCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000024165785 372272581 /nfs/dbraw/zinc/27/25/81/372272581.db2.gz OHJIOHLUPIOPOV-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775563 372706363 /nfs/dbraw/zinc/70/63/63/372706363.db2.gz XIOFQMLENAZKIA-PRTUASRFSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000037775563 372706383 /nfs/dbraw/zinc/70/63/83/372706383.db2.gz XIOFQMLENAZKIA-PRTUASRFSA-N 1 1 289.379 2.871 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245432188 284349455 /nfs/dbraw/zinc/34/94/55/284349455.db2.gz BDEWQVPNXUJUIU-KGLIPLIRSA-N 1 1 291.395 2.929 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000041663615 372857365 /nfs/dbraw/zinc/85/73/65/372857365.db2.gz CAPNHIDXJZUNNV-LBPRGKRZSA-N 1 1 263.341 2.737 20 5 CFBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000048579937 373203579 /nfs/dbraw/zinc/20/35/79/373203579.db2.gz CNJBSABIZUNBCU-UHFFFAOYSA-N 1 1 297.742 2.529 20 5 CFBDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442729 373297884 /nfs/dbraw/zinc/29/78/84/373297884.db2.gz SYSVVDKOHGWHKY-NSHDSACASA-N 1 1 279.340 2.510 20 5 CFBDMO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050106252 373354917 /nfs/dbraw/zinc/35/49/17/373354917.db2.gz FGMGCQVFBUAYEP-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050106252 373354928 /nfs/dbraw/zinc/35/49/28/373354928.db2.gz FGMGCQVFBUAYEP-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO Cc1c(C[N@H+]2CCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000050105121 373355458 /nfs/dbraw/zinc/35/54/58/373355458.db2.gz OHILYWUOQTYIJN-CQSZACIVSA-N 1 1 278.352 2.640 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052812206 373451594 /nfs/dbraw/zinc/45/15/94/373451594.db2.gz CXZPJWIJZBZXDT-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054128382 373500257 /nfs/dbraw/zinc/50/02/57/373500257.db2.gz IJDOPCDNSZDZDJ-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068475304 374030259 /nfs/dbraw/zinc/03/02/59/374030259.db2.gz OMWFUSUPEFHSDT-GFCCVEGCSA-N 1 1 278.352 2.637 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C(C)C ZINC000070423112 374171393 /nfs/dbraw/zinc/17/13/93/374171393.db2.gz RTOXSBJLJKFLIR-UHFFFAOYSA-N 1 1 275.308 2.972 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000070445062 374176067 /nfs/dbraw/zinc/17/60/67/374176067.db2.gz MKUVVVQTQMJFIT-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975530 374309830 /nfs/dbraw/zinc/30/98/30/374309830.db2.gz IHSNKFVWADXDHC-HNNXBMFYSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000076073620 374530835 /nfs/dbraw/zinc/53/08/35/374530835.db2.gz WGHWYHWTWLLYGE-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000076073620 374530842 /nfs/dbraw/zinc/53/08/42/374530842.db2.gz WGHWYHWTWLLYGE-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCSCC2)cc1 ZINC000089981737 374979741 /nfs/dbraw/zinc/97/97/41/374979741.db2.gz YEGPMYYLBHQLGM-UHFFFAOYSA-N 1 1 296.392 2.803 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000090794518 375028249 /nfs/dbraw/zinc/02/82/49/375028249.db2.gz KCKYLUUMBNTAAQ-CHWSQXEVSA-N 1 1 291.351 2.642 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090794964 375030460 /nfs/dbraw/zinc/03/04/60/375030460.db2.gz SGXFZHIHIFXEAL-DGCLKSJQSA-N 1 1 263.341 2.798 20 5 CFBDMO CCOCC[N@@H+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092537639 375119907 /nfs/dbraw/zinc/11/99/07/375119907.db2.gz PFBGJGRODUDIJR-VQHVLOKHSA-N 1 1 278.352 2.966 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000451787002 383707158 /nfs/dbraw/zinc/70/71/58/383707158.db2.gz XQNPSJMILAFLFV-HNNXBMFYSA-N 1 1 294.395 2.866 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093505812 375258728 /nfs/dbraw/zinc/25/87/28/375258728.db2.gz VPMYKXXDIAKXQZ-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO CCC(CC)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534843 375263486 /nfs/dbraw/zinc/26/34/86/375263486.db2.gz ZLEQOQOAWCPBSP-ZDUSSCGKSA-N 1 1 292.383 2.912 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000501795807 247106340 /nfs/dbraw/zinc/10/63/40/247106340.db2.gz SOLBHWGVAXHNIJ-CHWSQXEVSA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829718 375810131 /nfs/dbraw/zinc/81/01/31/375810131.db2.gz DMZVNJNBSNUVEQ-NWDGAFQWSA-N 1 1 261.325 2.634 20 5 CFBDMO C[C@H](Cn1cccn1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111333742 375837899 /nfs/dbraw/zinc/83/78/99/375837899.db2.gz KGPKWIAYGXDNEK-SNVBAGLBSA-N 1 1 294.742 2.623 20 5 CFBDMO CCCCC[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000112613121 375937155 /nfs/dbraw/zinc/93/71/55/375937155.db2.gz JJDQVUHSUGHZQY-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000112613121 375937157 /nfs/dbraw/zinc/93/71/57/375937157.db2.gz JJDQVUHSUGHZQY-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000119217338 376375660 /nfs/dbraw/zinc/37/56/60/376375660.db2.gz IOIDLARLOOZLAS-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000119866512 376493008 /nfs/dbraw/zinc/49/30/08/376493008.db2.gz TYZGXGBEKBVHBE-LBPRGKRZSA-N 1 1 252.339 2.532 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120135476 376554422 /nfs/dbraw/zinc/55/44/22/376554422.db2.gz CRCLLFQOKACFNT-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900037 376716925 /nfs/dbraw/zinc/71/69/25/376716925.db2.gz YFUBGVMOICRPAW-OCCSQVGLSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000121759432 376900009 /nfs/dbraw/zinc/90/00/09/376900009.db2.gz ARLMGLWONTVUCR-RKDXNWHRSA-N 1 1 297.305 2.910 20 5 CFBDMO C[N@H+](CCc1ccncc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000121563525 376859443 /nfs/dbraw/zinc/85/94/43/376859443.db2.gz KYZHHIQYKJXGON-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000121563525 376859447 /nfs/dbraw/zinc/85/94/47/376859447.db2.gz KYZHHIQYKJXGON-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CSC[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000135447211 378133083 /nfs/dbraw/zinc/13/30/83/378133083.db2.gz BRZPEZVSEPFUIA-AWEZNQCLSA-N 1 1 280.393 2.965 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153704193 378505571 /nfs/dbraw/zinc/50/55/71/378505571.db2.gz ITKGTMBOYBJVTB-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153761668 378509264 /nfs/dbraw/zinc/50/92/64/378509264.db2.gz MIYCNEFQDZQFIJ-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CC(C)CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000330968181 378606704 /nfs/dbraw/zinc/60/67/04/378606704.db2.gz LUVHIRCINACPCR-UHFFFAOYSA-N 1 1 294.399 2.977 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000331216750 378652381 /nfs/dbraw/zinc/65/23/81/378652381.db2.gz FFHCDNISRZBEIU-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332246799 378740403 /nfs/dbraw/zinc/74/04/03/378740403.db2.gz QRDIZEPBZPTIEQ-DSRCVFDASA-N 1 1 290.363 2.749 20 5 CFBDMO C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332168252 378732961 /nfs/dbraw/zinc/73/29/61/378732961.db2.gz BKZFZOFSGAUCOL-SNVBAGLBSA-N 1 1 274.324 2.846 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332168252 378732968 /nfs/dbraw/zinc/73/29/68/378732968.db2.gz BKZFZOFSGAUCOL-SNVBAGLBSA-N 1 1 274.324 2.846 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266261317 190244155 /nfs/dbraw/zinc/24/41/55/190244155.db2.gz PCPFWWUZZPQGQW-CMPLNLGQSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000167350941 379070276 /nfs/dbraw/zinc/07/02/76/379070276.db2.gz SFLGBCSWLBXDRU-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000167350941 379070286 /nfs/dbraw/zinc/07/02/86/379070286.db2.gz SFLGBCSWLBXDRU-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171497740 379322539 /nfs/dbraw/zinc/32/25/39/379322539.db2.gz SRHZPRBKJAAAOR-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)C1 ZINC000171700807 379376775 /nfs/dbraw/zinc/37/67/75/379376775.db2.gz DXGZHCJORLHEJX-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)C1 ZINC000171700807 379376781 /nfs/dbraw/zinc/37/67/81/379376781.db2.gz DXGZHCJORLHEJX-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO C[C@H]1CSCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000172594274 379601497 /nfs/dbraw/zinc/60/14/97/379601497.db2.gz GZHOLGHSMHMDTO-NSHDSACASA-N 1 1 266.366 2.575 20 5 CFBDMO COC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266942066 190292132 /nfs/dbraw/zinc/29/21/32/190292132.db2.gz WTKPVFCAZBVQRU-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000267054442 190299754 /nfs/dbraw/zinc/29/97/54/190299754.db2.gz RJHVVYNAEOUNDW-UHFFFAOYSA-N 1 1 298.314 2.507 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000173483154 379742792 /nfs/dbraw/zinc/74/27/92/379742792.db2.gz VAIZZEXXBLUVGU-UHFFFAOYSA-N 1 1 294.351 2.857 20 5 CFBDMO CCC(CC)C[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176245327 380201341 /nfs/dbraw/zinc/20/13/41/380201341.db2.gz HVPBEPVZADWUMM-UHFFFAOYSA-N 1 1 268.361 2.549 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000268287626 190393323 /nfs/dbraw/zinc/39/33/23/190393323.db2.gz XXLHCCNQEXJYGS-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000452036792 383744827 /nfs/dbraw/zinc/74/48/27/383744827.db2.gz KCCBXXRFJCLYQB-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000336811747 380671687 /nfs/dbraw/zinc/67/16/87/380671687.db2.gz OIPMBCCLQSNKDK-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000336811747 380671689 /nfs/dbraw/zinc/67/16/89/380671689.db2.gz OIPMBCCLQSNKDK-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[N@@H+](CC)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000336813338 380674195 /nfs/dbraw/zinc/67/41/95/380674195.db2.gz UICHJEPOMRROBB-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000572034465 383748479 /nfs/dbraw/zinc/74/84/79/383748479.db2.gz UGCFMDFGECOQKB-CQSZACIVSA-N 1 1 283.331 2.979 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353804511 380866143 /nfs/dbraw/zinc/86/61/43/380866143.db2.gz MWIZKKLLGNDBNN-UONOGXRCSA-N 1 1 291.395 2.818 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000341278167 380894471 /nfs/dbraw/zinc/89/44/71/380894471.db2.gz UTDWMKHSFAIVEI-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1 ZINC000341336170 380945153 /nfs/dbraw/zinc/94/51/53/380945153.db2.gz RZKGJFKNFCYHRP-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000279293939 194371722 /nfs/dbraw/zinc/37/17/22/194371722.db2.gz LIFAYCFQNGNLPD-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000354059080 381052244 /nfs/dbraw/zinc/05/22/44/381052244.db2.gz OHSQICVNSBDSIH-VIHMKRCTSA-N 1 1 292.379 2.947 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949007 381068688 /nfs/dbraw/zinc/06/86/88/381068688.db2.gz QEJOXYJAEJFJAN-IAGOWNOFSA-N 1 1 298.342 2.903 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353768 381071848 /nfs/dbraw/zinc/07/18/48/381071848.db2.gz REBZHYOPCWXOQR-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353768 381071853 /nfs/dbraw/zinc/07/18/53/381071853.db2.gz REBZHYOPCWXOQR-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368484482 381040389 /nfs/dbraw/zinc/04/03/89/381040389.db2.gz YTJKNOSFQDLPKK-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@]1(F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397573 381123117 /nfs/dbraw/zinc/12/31/17/381123117.db2.gz WLCYYTAYZPZMBX-ZDUSSCGKSA-N 1 1 252.289 2.571 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077341 381146115 /nfs/dbraw/zinc/14/61/15/381146115.db2.gz JWKJJVNUZRBHRI-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412048569 381128359 /nfs/dbraw/zinc/12/83/59/381128359.db2.gz UZZHCMRNYKTLLY-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412048569 381128364 /nfs/dbraw/zinc/12/83/64/381128364.db2.gz UZZHCMRNYKTLLY-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182666496 381133398 /nfs/dbraw/zinc/13/33/98/381133398.db2.gz QENRXORLGOCCAA-SJORKVTESA-N 1 1 298.342 2.685 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289895263 381208086 /nfs/dbraw/zinc/20/80/86/381208086.db2.gz WPPJECYWPLDAIM-WMADIVHISA-N 1 1 264.325 2.575 20 5 CFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289903202 381212028 /nfs/dbraw/zinc/21/20/28/381212028.db2.gz NNNFOTJUUKLYPY-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347691932 381300295 /nfs/dbraw/zinc/30/02/95/381300295.db2.gz OMLXXQADDRKWGP-BETUJISGSA-N 1 1 277.368 2.509 20 5 CFBDMO CO[C@@H](C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354445139 381271315 /nfs/dbraw/zinc/27/13/15/381271315.db2.gz DFGROZYDPAJCIB-ZDUSSCGKSA-N 1 1 296.367 2.719 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccncc1 ZINC000183753610 381315089 /nfs/dbraw/zinc/31/50/89/381315089.db2.gz ANUWHEHQLZEXHM-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000369901535 381349748 /nfs/dbraw/zinc/34/97/48/381349748.db2.gz GWCFMVIMIXRTGM-HUUCEWRRSA-N 1 1 290.363 2.762 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000370055564 381375258 /nfs/dbraw/zinc/37/52/58/381375258.db2.gz KOLDLQIITWKQPO-JTQLQIEISA-N 1 1 292.364 2.727 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000370055564 381375265 /nfs/dbraw/zinc/37/52/65/381375265.db2.gz KOLDLQIITWKQPO-JTQLQIEISA-N 1 1 292.364 2.727 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184234158 381390016 /nfs/dbraw/zinc/39/00/16/381390016.db2.gz KAZANAAQEAOCPV-SNVBAGLBSA-N 1 1 282.315 2.974 20 5 CFBDMO Cc1c(C[N@@H+](C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342604647 381429454 /nfs/dbraw/zinc/42/94/54/381429454.db2.gz NLPRTRBRMAEPHV-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO CC(C)[N@@H+](CCC[C@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354897045 381512374 /nfs/dbraw/zinc/51/23/74/381512374.db2.gz RBXYSXLCUXKILG-ZDUSSCGKSA-N 1 1 280.368 2.966 20 5 CFBDMO Cc1c(C[NH2+][C@@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185092334 381533765 /nfs/dbraw/zinc/53/37/65/381533765.db2.gz XGKDBMPNRMXBNQ-ZDUSSCGKSA-N 1 1 290.319 2.710 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000185185005 381557337 /nfs/dbraw/zinc/55/73/37/381557337.db2.gz BCNLZFVQUHKYQE-UHFFFAOYSA-N 1 1 295.314 2.547 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332751 381594058 /nfs/dbraw/zinc/59/40/58/381594058.db2.gz RKLQAIKHWKZKHC-CABCVRRESA-N 1 1 290.363 2.762 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185360545 381610563 /nfs/dbraw/zinc/61/05/63/381610563.db2.gz YXJASWSCUMVKQQ-AWEZNQCLSA-N 1 1 280.368 2.742 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C)C1 ZINC000348669684 381663745 /nfs/dbraw/zinc/66/37/45/381663745.db2.gz HGBZRBDIQCFABJ-YQCJOKCJSA-N 1 1 276.336 2.719 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C)C1 ZINC000348669684 381663748 /nfs/dbraw/zinc/66/37/48/381663748.db2.gz HGBZRBDIQCFABJ-YQCJOKCJSA-N 1 1 276.336 2.719 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000371824197 381708457 /nfs/dbraw/zinc/70/84/57/381708457.db2.gz JTHJZIQVNJZSJD-OAHLLOKOSA-N 1 1 290.367 2.651 20 5 CFBDMO CO[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000343440799 381712202 /nfs/dbraw/zinc/71/22/02/381712202.db2.gz JJEQBNOEEFYVQL-TZDXQJPWSA-N 1 1 290.363 2.965 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343442690 381712873 /nfs/dbraw/zinc/71/28/73/381712873.db2.gz MILMKJBLWLOLLP-KCJUWKMLSA-N 1 1 284.747 2.538 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000298581402 381679842 /nfs/dbraw/zinc/67/98/42/381679842.db2.gz VGXLLLUBTRHHQA-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000355235549 381695310 /nfs/dbraw/zinc/69/53/10/381695310.db2.gz JXGNZLFNTSEYBI-GJZGRUSLSA-N 1 1 290.363 2.843 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000371824196 381707936 /nfs/dbraw/zinc/70/79/36/381707936.db2.gz JTHJZIQVNJZSJD-HNNXBMFYSA-N 1 1 290.367 2.651 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[NH2+]C1 ZINC000415069407 381754618 /nfs/dbraw/zinc/75/46/18/381754618.db2.gz GDHHYVQTWFGPJL-HIFRSBDPSA-N 1 1 291.395 2.648 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1 ZINC000415069407 381754623 /nfs/dbraw/zinc/75/46/23/381754623.db2.gz GDHHYVQTWFGPJL-HIFRSBDPSA-N 1 1 291.395 2.648 20 5 CFBDMO CCOc1cc(C[N@@H+](CC)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000291352794 381757833 /nfs/dbraw/zinc/75/78/33/381757833.db2.gz YAGMYLXGHDXMAE-LBPRGKRZSA-N 1 1 296.367 2.850 20 5 CFBDMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271854 381782559 /nfs/dbraw/zinc/78/25/59/381782559.db2.gz DWYRRWRUIDXUAL-CHWSQXEVSA-N 1 1 280.372 2.864 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292116391 381790755 /nfs/dbraw/zinc/79/07/55/381790755.db2.gz JQNRKQKADOMMCQ-BBRMVZONSA-N 1 1 289.379 2.683 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343616689 381845257 /nfs/dbraw/zinc/84/52/57/381845257.db2.gz ZNCPDKOHBQUTKK-JOYOIKCWSA-N 1 1 267.304 2.629 20 5 CFBDMO COc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000343609329 381838257 /nfs/dbraw/zinc/83/82/57/381838257.db2.gz RSBDYFYEIKLGMW-ONGXEEELSA-N 1 1 297.330 2.637 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293035182 381961440 /nfs/dbraw/zinc/96/14/40/381961440.db2.gz RWJNGGDFJSNXCY-INIZCTEOSA-N 1 1 289.379 2.513 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373286630 381969783 /nfs/dbraw/zinc/96/97/83/381969783.db2.gz GMIYUAXYAUCZIX-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186515682 381933558 /nfs/dbraw/zinc/93/35/58/381933558.db2.gz NWMAZZUEQMUZOW-BXUZGUMPSA-N 1 1 290.319 2.962 20 5 CFBDMO CO[C@@H](C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354368373 274055938 /nfs/dbraw/zinc/05/59/38/274055938.db2.gz OFIBGDKZIBCYKU-ZDUSSCGKSA-N 1 1 280.368 2.883 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[N@@H+](C)C1CC1 ZINC000186785065 382013123 /nfs/dbraw/zinc/01/31/23/382013123.db2.gz ZQXKRRQRBIUAIC-CYBMUJFWSA-N 1 1 291.395 2.990 20 5 CFBDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357030523 381975738 /nfs/dbraw/zinc/97/57/38/381975738.db2.gz DWUKICUUTZWVSQ-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000343914705 382016794 /nfs/dbraw/zinc/01/67/94/382016794.db2.gz ODVPWZQNRVODAG-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293106481 381992577 /nfs/dbraw/zinc/99/25/77/381992577.db2.gz LKNBMXNNRFBXFW-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)CC2)c(Cl)c1 ZINC000293181850 382020938 /nfs/dbraw/zinc/02/09/38/382020938.db2.gz PSBJKAATZWELBS-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(Cl)c1 ZINC000293181850 382020945 /nfs/dbraw/zinc/02/09/45/382020945.db2.gz PSBJKAATZWELBS-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000343940275 382029426 /nfs/dbraw/zinc/02/94/26/382029426.db2.gz FJNHIFQCHOQBSA-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000301256886 382124962 /nfs/dbraw/zinc/12/49/62/382124962.db2.gz NUUDANYPHFGASW-GFCCVEGCSA-N 1 1 263.341 2.881 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)CC1 ZINC000293309745 382073008 /nfs/dbraw/zinc/07/30/08/382073008.db2.gz WZRWVJGAZHICLF-NEPJUHHUSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000301134957 382089260 /nfs/dbraw/zinc/08/92/60/382089260.db2.gz YKISGLPRTPSYLU-SNVBAGLBSA-N 1 1 290.298 2.666 20 5 CFBDMO CC[N@H+]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344217845 382205782 /nfs/dbraw/zinc/20/57/82/382205782.db2.gz NKJPEMOXCLYJEV-CYBMUJFWSA-N 1 1 277.368 2.683 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187544907 382207637 /nfs/dbraw/zinc/20/76/37/382207637.db2.gz MUNJYCWFEUOQQP-OAHLLOKOSA-N 1 1 278.352 2.579 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177415 382208839 /nfs/dbraw/zinc/20/88/39/382208839.db2.gz BKSOCGCWPOOHHF-CYBMUJFWSA-N 1 1 295.314 2.547 20 5 CFBDMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000187566433 382210641 /nfs/dbraw/zinc/21/06/41/382210641.db2.gz WSLGJLUZKIRSQQ-AWEZNQCLSA-N 1 1 291.395 2.949 20 5 CFBDMO CCC[C@]1(CO)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344240551 382224064 /nfs/dbraw/zinc/22/40/64/382224064.db2.gz CZYHESOCTRPLGG-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344240551 382224077 /nfs/dbraw/zinc/22/40/77/382224077.db2.gz CZYHESOCTRPLGG-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000377143685 382225384 /nfs/dbraw/zinc/22/53/84/382225384.db2.gz VXQFUBWKILASOR-SNVBAGLBSA-N 1 1 290.298 2.605 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H](CO)C2)c(Cl)c1 ZINC000376878266 382186693 /nfs/dbraw/zinc/18/66/93/382186693.db2.gz SWHNUZJJPZRCHW-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1cccc(F)c1[N+](=O)[O-])C2 ZINC000302656575 382284898 /nfs/dbraw/zinc/28/48/98/382284898.db2.gz KYOCYWUINGULNC-JTQLQIEISA-N 1 1 290.298 2.666 20 5 CFBDMO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000302788633 382319664 /nfs/dbraw/zinc/31/96/64/382319664.db2.gz XOXINGPGKOVGOY-LLVKDONJSA-N 1 1 283.759 2.779 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302822266 382326670 /nfs/dbraw/zinc/32/66/70/382326670.db2.gz SDGLHAVPXDQQOO-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364618593 382339261 /nfs/dbraw/zinc/33/92/61/382339261.db2.gz DAXGUTROPDLCIF-NWANDNLSSA-N 1 1 290.363 2.840 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000188295964 382386113 /nfs/dbraw/zinc/38/61/13/382386113.db2.gz UXKFPZITMQILRS-SWLSCSKDSA-N 1 1 278.352 2.760 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352545813 382389853 /nfs/dbraw/zinc/38/98/53/382389853.db2.gz MADUMYKOWQFAMW-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294302006 382501722 /nfs/dbraw/zinc/50/17/22/382501722.db2.gz ZWOWPYRIBNUMET-MFKMUULPSA-N 1 1 272.308 2.587 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421397074 382516640 /nfs/dbraw/zinc/51/66/40/382516640.db2.gz LCYMFVYNLPSSBW-CQSZACIVSA-N 1 1 292.379 2.888 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCC1 ZINC000353483188 382550343 /nfs/dbraw/zinc/55/03/43/382550343.db2.gz NZKYKMQKGRNSLA-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCC1 ZINC000353483188 382550348 /nfs/dbraw/zinc/55/03/48/382550348.db2.gz NZKYKMQKGRNSLA-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000358301774 382556920 /nfs/dbraw/zinc/55/69/20/382556920.db2.gz HGMXMGKKTKJUGG-JTQLQIEISA-N 1 1 299.396 2.507 20 5 CFBDMO Cc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189943645 382646524 /nfs/dbraw/zinc/64/65/24/382646524.db2.gz FLFHIQJQVCJBQA-UHFFFAOYSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190404969 382666449 /nfs/dbraw/zinc/66/64/49/382666449.db2.gz GXJWGOLSEXUZLQ-NSHDSACASA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191175043 382694239 /nfs/dbraw/zinc/69/42/39/382694239.db2.gz QSOMFSLRARTHIL-UWVGGRQHSA-N 1 1 298.770 2.982 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194079248 382734842 /nfs/dbraw/zinc/73/48/42/382734842.db2.gz GDGGYPVASCJPHJ-UHFFFAOYSA-N 1 1 279.296 2.735 20 5 CFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191651895 382701681 /nfs/dbraw/zinc/70/16/81/382701681.db2.gz DODCKIAIKRUMLW-MRXNPFEDSA-N 1 1 292.379 2.968 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000192177094 382705328 /nfs/dbraw/zinc/70/53/28/382705328.db2.gz PHJNTXOITLBNAR-VIFPVBQESA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000192177094 382705329 /nfs/dbraw/zinc/70/53/29/382705329.db2.gz PHJNTXOITLBNAR-VIFPVBQESA-N 1 1 272.395 2.984 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000191047794 382689215 /nfs/dbraw/zinc/68/92/15/382689215.db2.gz FGLWJOBLGRLOFW-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@@H+](C)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228484499 382847071 /nfs/dbraw/zinc/84/70/71/382847071.db2.gz VECUOWRVYRYSAI-UHFFFAOYSA-N 1 1 288.351 2.815 20 5 CFBDMO CC[N@H+](C)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228484499 382847073 /nfs/dbraw/zinc/84/70/73/382847073.db2.gz VECUOWRVYRYSAI-UHFFFAOYSA-N 1 1 288.351 2.815 20 5 CFBDMO CC[N@@H+](C)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228484499 382847075 /nfs/dbraw/zinc/84/70/75/382847075.db2.gz VECUOWRVYRYSAI-UHFFFAOYSA-N 1 1 288.351 2.815 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000222455680 382801964 /nfs/dbraw/zinc/80/19/64/382801964.db2.gz OKXHZSNRIBERSF-UWVGGRQHSA-N 1 1 260.297 2.730 20 5 CFBDMO CC[N@@H+](CCNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000227550962 382838113 /nfs/dbraw/zinc/83/81/13/382838113.db2.gz XJRPUOFNNGJAPN-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228147480 382845225 /nfs/dbraw/zinc/84/52/25/382845225.db2.gz NKPSWBHZLNIQLP-FZMZJTMJSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681671 382854751 /nfs/dbraw/zinc/85/47/51/382854751.db2.gz IBBSYKXXTRCZGE-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO C[N@H+]1CC[C@@H](CSc2cccc([N+](=O)[O-])c2)C1 ZINC000337737718 382860089 /nfs/dbraw/zinc/86/00/89/382860089.db2.gz BIONNEPASYVJDV-SNVBAGLBSA-N 1 1 252.339 2.639 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000230379778 382861005 /nfs/dbraw/zinc/86/10/05/382861005.db2.gz VWDVSDNLCCGFAT-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000230911235 382863339 /nfs/dbraw/zinc/86/33/39/382863339.db2.gz DYHJQBOSHGCJSQ-RKDXNWHRSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1cscn1)C2 ZINC000577933767 382875686 /nfs/dbraw/zinc/87/56/86/382875686.db2.gz RGPSUVOCNRSOPT-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cscn1)C2 ZINC000577933767 382875687 /nfs/dbraw/zinc/87/56/87/382875687.db2.gz RGPSUVOCNRSOPT-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441632784 382921571 /nfs/dbraw/zinc/92/15/71/382921571.db2.gz GDTYAWZIRBPKSL-VXGBXAGGSA-N 1 1 294.326 2.592 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000245405358 382999139 /nfs/dbraw/zinc/99/91/39/382999139.db2.gz SNKZXRDNIJAICU-NWDGAFQWSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCO1 ZINC000245394497 382999431 /nfs/dbraw/zinc/99/94/31/382999431.db2.gz FSGRXURXMOBMDD-SMDDNHRTSA-N 1 1 264.325 2.767 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000447801427 383008570 /nfs/dbraw/zinc/00/85/70/383008570.db2.gz CERCIRMXPFOECL-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1ccnc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447810697 383010267 /nfs/dbraw/zinc/01/02/67/383010267.db2.gz AGNRHXLKGRRRAG-LBPRGKRZSA-N 1 1 292.383 2.831 20 5 CFBDMO [NH3+][C@H]1C[C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017759 383014325 /nfs/dbraw/zinc/01/43/25/383014325.db2.gz XAVCHFYMDYZJRM-IRXDYDNUSA-N 1 1 297.358 2.872 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000448362729 383058230 /nfs/dbraw/zinc/05/82/30/383058230.db2.gz OWFPCQRJOLADDU-BLMSOEDDSA-N 1 1 290.363 2.701 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000245685653 383021490 /nfs/dbraw/zinc/02/14/90/383021490.db2.gz AGBXNFNDTCRBDJ-MNOVXSKESA-N 1 1 294.351 2.842 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000339029496 383125180 /nfs/dbraw/zinc/12/51/80/383125180.db2.gz OGFDNDRGTRBJFK-CYBMUJFWSA-N 1 1 292.383 2.914 20 5 CFBDMO CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000338992802 383110312 /nfs/dbraw/zinc/11/03/12/383110312.db2.gz OLPCDCFDCGVSAE-UHFFFAOYSA-N 1 1 250.298 2.532 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000339002398 383114956 /nfs/dbraw/zinc/11/49/56/383114956.db2.gz JLDKSDQZSWPPNC-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000566572384 383189794 /nfs/dbraw/zinc/18/97/94/383189794.db2.gz SGDMDJJWRGIBLL-NSHDSACASA-N 1 1 281.356 2.746 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000247152359 383147588 /nfs/dbraw/zinc/14/75/88/383147588.db2.gz XCOLLKDOWXBVNM-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000339131845 383160529 /nfs/dbraw/zinc/16/05/29/383160529.db2.gz GERHUVXZSIAIGV-GFCCVEGCSA-N 1 1 250.298 2.531 20 5 CFBDMO C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000339131845 383160532 /nfs/dbraw/zinc/16/05/32/383160532.db2.gz GERHUVXZSIAIGV-GFCCVEGCSA-N 1 1 250.298 2.531 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247380221 383168885 /nfs/dbraw/zinc/16/88/85/383168885.db2.gz PSNHZTAIRSLENQ-IUODEOHRSA-N 1 1 276.336 2.768 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000248699909 383281180 /nfs/dbraw/zinc/28/11/80/383281180.db2.gz ZLBCVSQUYAHCIR-JSGCOSHPSA-N 1 1 278.352 2.639 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1F ZINC000339590351 383255751 /nfs/dbraw/zinc/25/57/51/383255751.db2.gz PNLVBTIFLCHDOC-OLZOCXBDSA-N 1 1 282.315 2.974 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449394976 383260725 /nfs/dbraw/zinc/26/07/25/383260725.db2.gz OVRKHBXJCCXGJA-GMNBZTITSA-N 1 1 290.363 2.966 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449419093 383278846 /nfs/dbraw/zinc/27/88/46/383278846.db2.gz GVIUQDZZKQULHS-JFOCPDPESA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248340459 383225047 /nfs/dbraw/zinc/22/50/47/383225047.db2.gz IOQPZPPMZSYDFQ-GRYCIOLGSA-N 1 1 291.351 2.652 20 5 CFBDMO Cc1ccc(CN2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000248413867 383239077 /nfs/dbraw/zinc/23/90/77/383239077.db2.gz LTBMFKNLKWZKML-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCc1ccncc1)C2 ZINC000519853541 383243306 /nfs/dbraw/zinc/24/33/06/383243306.db2.gz IULVHECERDTFSD-UHFFFAOYSA-N 1 1 297.358 2.981 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449489743 383327526 /nfs/dbraw/zinc/32/75/26/383327526.db2.gz AWKAIBYDCQHMPB-DOMZBBRYSA-N 1 1 278.352 2.842 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449491949 383330259 /nfs/dbraw/zinc/33/02/59/383330259.db2.gz ICPPZQMVMTTZMZ-IUODEOHRSA-N 1 1 278.352 2.842 20 5 CFBDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000249161750 383333014 /nfs/dbraw/zinc/33/30/14/383333014.db2.gz JJEQBNOEEFYVQL-PPDNHJNESA-N 1 1 290.363 2.965 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000249226154 383334820 /nfs/dbraw/zinc/33/48/20/383334820.db2.gz UXKFPZITMQILRS-WFASDCNBSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000449497663 383335699 /nfs/dbraw/zinc/33/56/99/383335699.db2.gz IYXAUCLBWDPDFY-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000449497663 383335700 /nfs/dbraw/zinc/33/57/00/383335700.db2.gz IYXAUCLBWDPDFY-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](CO)CC1 ZINC000339746040 383304803 /nfs/dbraw/zinc/30/48/03/383304803.db2.gz MLDQIYMRXDMQFX-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339746040 383304806 /nfs/dbraw/zinc/30/48/06/383304806.db2.gz MLDQIYMRXDMQFX-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1c(C[N@H+]2CCCC[C@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000568363837 383394410 /nfs/dbraw/zinc/39/44/10/383394410.db2.gz OMLIHLIOWDJRJU-HNNXBMFYSA-N 1 1 290.363 2.783 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619685 383376944 /nfs/dbraw/zinc/37/69/44/383376944.db2.gz DCWGEOYAMKSWQB-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251036962 383384607 /nfs/dbraw/zinc/38/46/07/383384607.db2.gz IMZMRMJAPNNUHV-STQMWFEESA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253086882 383441605 /nfs/dbraw/zinc/44/16/05/383441605.db2.gz CNMHQLKRCVFVQS-FVQBIDKESA-N 1 1 290.363 2.720 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000483437273 383449788 /nfs/dbraw/zinc/44/97/88/383449788.db2.gz FWCQJPQFRUHSOI-IDKOKKFVSA-N 1 1 290.363 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000487109402 383476759 /nfs/dbraw/zinc/47/67/59/383476759.db2.gz LZQOQDBHALVKKV-HNNXBMFYSA-N 1 1 277.368 2.680 20 5 CFBDMO CC(C)[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488011660 383487911 /nfs/dbraw/zinc/48/79/11/383487911.db2.gz RVKJYQQLGYTOOK-BBRMVZONSA-N 1 1 291.395 2.928 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1CC ZINC000429281324 383508760 /nfs/dbraw/zinc/50/87/60/383508760.db2.gz UVUDESHCOQNJSU-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1CC ZINC000429281324 383508764 /nfs/dbraw/zinc/50/87/64/383508764.db2.gz UVUDESHCOQNJSU-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc(C[N@H+]2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488253019 383509999 /nfs/dbraw/zinc/50/99/99/383509999.db2.gz OWQJWLRWQCREHC-LLVKDONJSA-N 1 1 296.392 2.788 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000341136658 383579316 /nfs/dbraw/zinc/57/93/16/383579316.db2.gz IPFYZHIOJILRHZ-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488596134 383565163 /nfs/dbraw/zinc/56/51/63/383565163.db2.gz YJWOPUKCCVHZHB-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000450951216 383565182 /nfs/dbraw/zinc/56/51/82/383565182.db2.gz FNMNDRKPWFXJNB-CYBMUJFWSA-N 1 1 292.383 2.526 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450953013 383565944 /nfs/dbraw/zinc/56/59/44/383565944.db2.gz WIMMEUMQCPCTKY-LBPRGKRZSA-N 1 1 281.331 2.653 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000570088989 383569418 /nfs/dbraw/zinc/56/94/18/383569418.db2.gz RMOYHBAQGXXZDM-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547931 383642871 /nfs/dbraw/zinc/64/28/71/383642871.db2.gz RGFKYOFQLRMYGA-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547931 383642874 /nfs/dbraw/zinc/64/28/74/383642874.db2.gz RGFKYOFQLRMYGA-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451552582 383645571 /nfs/dbraw/zinc/64/55/71/383645571.db2.gz YWXHEBDZNVQGJX-IAQYHMDHSA-N 1 1 296.342 2.981 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451552582 383645574 /nfs/dbraw/zinc/64/55/74/383645574.db2.gz YWXHEBDZNVQGJX-IAQYHMDHSA-N 1 1 296.342 2.981 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489415087 383616832 /nfs/dbraw/zinc/61/68/32/383616832.db2.gz PTFFPGUIEBGZIP-AWEZNQCLSA-N 1 1 294.351 2.713 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489447234 383620438 /nfs/dbraw/zinc/62/04/38/383620438.db2.gz PKZYYRVKJPHZCW-ZDUSSCGKSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489447234 383620441 /nfs/dbraw/zinc/62/04/41/383620441.db2.gz PKZYYRVKJPHZCW-ZDUSSCGKSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489447233 383620499 /nfs/dbraw/zinc/62/04/99/383620499.db2.gz PKZYYRVKJPHZCW-CYBMUJFWSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489447233 383620503 /nfs/dbraw/zinc/62/05/03/383620503.db2.gz PKZYYRVKJPHZCW-CYBMUJFWSA-N 1 1 291.351 2.572 20 5 CFBDMO CC1=CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000436258772 383793198 /nfs/dbraw/zinc/79/31/98/383793198.db2.gz ILRYLWWFJFYMMO-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573815335 383995419 /nfs/dbraw/zinc/99/54/19/383995419.db2.gz OULISOLKHNIQAZ-LLVKDONJSA-N 1 1 290.348 2.532 20 5 CFBDMO CC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983862 383953012 /nfs/dbraw/zinc/95/30/12/383953012.db2.gz CQLYRTRIRNTEKL-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983862 383953021 /nfs/dbraw/zinc/95/30/21/383953021.db2.gz CQLYRTRIRNTEKL-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983672 383954760 /nfs/dbraw/zinc/95/47/60/383954760.db2.gz SMVJGUWVZZKOPH-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983672 383954766 /nfs/dbraw/zinc/95/47/66/383954766.db2.gz SMVJGUWVZZKOPH-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO CCc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000532516693 384041331 /nfs/dbraw/zinc/04/13/31/384041331.db2.gz HJIHROUFQYQSIJ-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574464862 384100454 /nfs/dbraw/zinc/10/04/54/384100454.db2.gz WBJPZSFVCPTWIZ-GHMZBOCLSA-N 1 1 291.351 2.641 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000355141880 285113099 /nfs/dbraw/zinc/11/30/99/285113099.db2.gz YSRRSTIFYQPXCK-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO CC[NH+](CC)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278134909 384480449 /nfs/dbraw/zinc/48/04/49/384480449.db2.gz KPQULUGFKPMTBS-UHFFFAOYSA-N 1 1 282.325 2.548 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372225 384616011 /nfs/dbraw/zinc/61/60/11/384616011.db2.gz RZNGWJKZVFBCJI-MEDUHNTESA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372225 384616020 /nfs/dbraw/zinc/61/60/20/384616020.db2.gz RZNGWJKZVFBCJI-MEDUHNTESA-N 1 1 290.363 2.903 20 5 CFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268439681 384620827 /nfs/dbraw/zinc/62/08/27/384620827.db2.gz TYZKDSAQURDWNF-UHFFFAOYSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268855241 384678010 /nfs/dbraw/zinc/67/80/10/384678010.db2.gz QQLVHAKQRLUKHA-ZDUSSCGKSA-N 1 1 286.335 2.794 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000268945007 384698202 /nfs/dbraw/zinc/69/82/02/384698202.db2.gz BAPIBAPIDZGOFH-TZMCWYRMSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000268945007 384698207 /nfs/dbraw/zinc/69/82/07/384698207.db2.gz BAPIBAPIDZGOFH-TZMCWYRMSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000268945003 384698681 /nfs/dbraw/zinc/69/86/81/384698681.db2.gz BAPIBAPIDZGOFH-GXTWGEPZSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000268945003 384698686 /nfs/dbraw/zinc/69/86/86/384698686.db2.gz BAPIBAPIDZGOFH-GXTWGEPZSA-N 1 1 296.392 2.783 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269352083 384750250 /nfs/dbraw/zinc/75/02/50/384750250.db2.gz GHFFHMAFDCRBKX-UHFFFAOYSA-N 1 1 295.730 2.650 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000269630500 384810652 /nfs/dbraw/zinc/81/06/52/384810652.db2.gz FKKPUFBGRVOLMX-ZDUSSCGKSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@@H](SCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000270487833 385120759 /nfs/dbraw/zinc/12/07/59/385120759.db2.gz CGTXCVOWSLFPLT-GFCCVEGCSA-N 1 1 296.392 2.721 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342068646 285160086 /nfs/dbraw/zinc/16/00/86/285160086.db2.gz TYGVDOUZQGJVTQ-CQSZACIVSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000270986389 385291720 /nfs/dbraw/zinc/29/17/20/385291720.db2.gz FUGRXNOASGRXNN-UHFFFAOYSA-N 1 1 290.319 2.669 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nccs1 ZINC000282363228 385293746 /nfs/dbraw/zinc/29/37/46/385293746.db2.gz DKRVXOZJBCJKBI-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nccs1 ZINC000282363228 385293750 /nfs/dbraw/zinc/29/37/50/385293750.db2.gz DKRVXOZJBCJKBI-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282402327 385301635 /nfs/dbraw/zinc/30/16/35/385301635.db2.gz FJNQKDGMZKIMHL-GFCCVEGCSA-N 1 1 284.331 2.573 20 5 CFBDMO CCOc1ccc([C@H](C)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000271122872 385343059 /nfs/dbraw/zinc/34/30/59/385343059.db2.gz JTUVFJXTHCUCKV-NEPJUHHUSA-N 1 1 295.383 2.594 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCSC1 ZINC000282819805 385394692 /nfs/dbraw/zinc/39/46/92/385394692.db2.gz AQRACFIUHHFFAZ-ZDUSSCGKSA-N 1 1 280.393 2.822 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301342892 285164621 /nfs/dbraw/zinc/16/46/21/285164621.db2.gz IPYQCHOKRZZBNW-MELADBBJSA-N 1 1 287.363 2.515 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823529 197173332 /nfs/dbraw/zinc/17/33/32/197173332.db2.gz NHRSEYPIAPZOMP-INIZCTEOSA-N 1 1 292.379 2.622 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC13CCC(CC1)C3)CC2 ZINC000408457728 285184245 /nfs/dbraw/zinc/18/42/45/285184245.db2.gz QGILOKYUFAKIFN-UHFFFAOYSA-N 1 1 287.363 2.928 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681219 385588732 /nfs/dbraw/zinc/58/87/32/385588732.db2.gz RYQYGTYYDVVORQ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681219 385588736 /nfs/dbraw/zinc/58/87/36/385588736.db2.gz RYQYGTYYDVVORQ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000286508504 385636519 /nfs/dbraw/zinc/63/65/19/385636519.db2.gz WZTJHWJWUWIMIG-PBWFPOADSA-N 1 1 289.379 2.965 20 5 CFBDMO CCc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000286408279 385611368 /nfs/dbraw/zinc/61/13/68/385611368.db2.gz OKELIMUYHSUVTQ-UHFFFAOYSA-N 1 1 272.308 2.868 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286645451 385675627 /nfs/dbraw/zinc/67/56/27/385675627.db2.gz TYFIWVFKPBQPPX-DGCLKSJQSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281199989 195145970 /nfs/dbraw/zinc/14/59/70/195145970.db2.gz ALWNKTXLJWVTHX-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1c([C@@H](C)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000286950593 385747783 /nfs/dbraw/zinc/74/77/83/385747783.db2.gz HIQXVBQEDRWVKE-CMPLNLGQSA-N 1 1 265.357 2.504 20 5 CFBDMO CCOc1cc(C[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000276828490 386054643 /nfs/dbraw/zinc/05/46/43/386054643.db2.gz ASFZBRFGTRATQA-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO CCOc1cc(Cn2c[nH+]c(C)c2C)ccc1[N+](=O)[O-] ZINC000276890542 386072154 /nfs/dbraw/zinc/07/21/54/386072154.db2.gz KCBYPFUNUOCSMT-UHFFFAOYSA-N 1 1 275.308 2.855 20 5 CFBDMO CSCCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000281219672 195153990 /nfs/dbraw/zinc/15/39/90/195153990.db2.gz BPYAHZJQXRHHIN-UHFFFAOYSA-N 1 1 268.382 2.822 20 5 CFBDMO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877575 130104284 /nfs/dbraw/zinc/10/42/84/130104284.db2.gz PFDFNTLUQLZKQW-OUCADQQQSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877575 130104285 /nfs/dbraw/zinc/10/42/85/130104285.db2.gz PFDFNTLUQLZKQW-OUCADQQQSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000180423108 393482646 /nfs/dbraw/zinc/48/26/46/393482646.db2.gz ZPLBPXCYEKNCLV-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000378272946 393544913 /nfs/dbraw/zinc/54/49/13/393544913.db2.gz QCRBGEWBTUNUBB-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000378272946 393544919 /nfs/dbraw/zinc/54/49/19/393544919.db2.gz QCRBGEWBTUNUBB-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1C ZINC000183348111 393520073 /nfs/dbraw/zinc/52/00/73/393520073.db2.gz KAEUWIDCWXYIMU-LLVKDONJSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1c[nH+]cn1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000376742250 393524615 /nfs/dbraw/zinc/52/46/15/393524615.db2.gz MZKCOVMAJLTVLB-UHFFFAOYSA-N 1 1 286.335 2.941 20 5 CFBDMO Cc1c([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cnn1C ZINC000037563141 393533222 /nfs/dbraw/zinc/53/32/22/393533222.db2.gz RFNPVLHIYBKJOL-QMMMGPOBSA-N 1 1 280.353 2.549 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000048857610 393605833 /nfs/dbraw/zinc/60/58/33/393605833.db2.gz BTPOZUHFKYMIDH-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000048857610 393605836 /nfs/dbraw/zinc/60/58/36/393605836.db2.gz BTPOZUHFKYMIDH-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411178115 393681040 /nfs/dbraw/zinc/68/10/40/393681040.db2.gz KOEBCEAIULZBDP-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000080620426 393727369 /nfs/dbraw/zinc/72/73/69/393727369.db2.gz LSTPGWKEOTWMDJ-UHFFFAOYSA-N 1 1 275.352 2.578 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000470172821 393898971 /nfs/dbraw/zinc/89/89/71/393898971.db2.gz CWDMNYZRRQCCPL-NRUITVPNSA-N 1 1 290.363 2.966 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000470172822 393899154 /nfs/dbraw/zinc/89/91/54/393899154.db2.gz CWDMNYZRRQCCPL-ODDCISTRSA-N 1 1 290.363 2.966 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000119227053 393916333 /nfs/dbraw/zinc/91/63/33/393916333.db2.gz VQHIVPNFLBNRCW-LLVKDONJSA-N 1 1 290.323 2.610 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119497738 393920432 /nfs/dbraw/zinc/92/04/32/393920432.db2.gz MIFMGGYGCARDRE-GHMZBOCLSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119497738 393920435 /nfs/dbraw/zinc/92/04/35/393920435.db2.gz MIFMGGYGCARDRE-GHMZBOCLSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348398985 393953484 /nfs/dbraw/zinc/95/34/84/393953484.db2.gz INAAXOPPGOWFHU-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348398985 393953490 /nfs/dbraw/zinc/95/34/90/393953490.db2.gz INAAXOPPGOWFHU-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO COCC(C)(C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430142992 393961997 /nfs/dbraw/zinc/96/19/97/393961997.db2.gz DINMFIJOQHCIQO-CLFYSBASSA-N 1 1 278.352 2.965 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccn1 ZINC000430209025 393967946 /nfs/dbraw/zinc/96/79/46/393967946.db2.gz WIRBDAIANORORU-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000430203832 393968300 /nfs/dbraw/zinc/96/83/00/393968300.db2.gz JIVRZFGYWRPRMO-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430216288 393968999 /nfs/dbraw/zinc/96/89/99/393968999.db2.gz DYHHHQABLIQUPI-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000430217326 393969731 /nfs/dbraw/zinc/96/97/31/393969731.db2.gz KPWNRHQYLSVMEA-BETUJISGSA-N 1 1 276.336 2.691 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000430228644 393970848 /nfs/dbraw/zinc/97/08/48/393970848.db2.gz DLINCKCQOWBNMJ-NSHDSACASA-N 1 1 296.392 2.788 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000349972918 393974905 /nfs/dbraw/zinc/97/49/05/393974905.db2.gz UQRXIEPAHWTLLD-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340157 393991923 /nfs/dbraw/zinc/99/19/23/393991923.db2.gz KXVNYOAEXWTQBC-XHDPSFHLSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602920 394005497 /nfs/dbraw/zinc/00/54/97/394005497.db2.gz AYSUVKQXHAIWMH-NOZJJQNGSA-N 1 1 299.321 2.649 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000127667854 394054099 /nfs/dbraw/zinc/05/40/99/394054099.db2.gz REKVVBMGQVFMJM-LBPRGKRZSA-N 1 1 293.367 2.746 20 5 CFBDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372218 394066671 /nfs/dbraw/zinc/06/66/71/394066671.db2.gz RZNGWJKZVFBCJI-BDJLRTHQSA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372218 394066674 /nfs/dbraw/zinc/06/66/74/394066674.db2.gz RZNGWJKZVFBCJI-BDJLRTHQSA-N 1 1 290.363 2.903 20 5 CFBDMO COC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130214238 394105613 /nfs/dbraw/zinc/10/56/13/394105613.db2.gz UUTVGTSAGUTZRX-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281663041 394079025 /nfs/dbraw/zinc/07/90/25/394079025.db2.gz KWNGHULUEOHIDH-FZMZJTMJSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900631 394093018 /nfs/dbraw/zinc/09/30/18/394093018.db2.gz CRJXPRSSYJEPQU-STQMWFEESA-N 1 1 280.372 2.692 20 5 CFBDMO CC1(C)C[C@H]([NH2+][C@H](CN)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265457 394274948 /nfs/dbraw/zinc/27/49/48/394274948.db2.gz AVJQKMCHSOGDRX-LSDHHAIUSA-N 1 1 289.379 2.644 20 5 CFBDMO CCC[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153756372 394291037 /nfs/dbraw/zinc/29/10/37/394291037.db2.gz GSWXBOLUDAAPLB-UHFFFAOYSA-N 1 1 298.774 2.565 20 5 CFBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294885825 394295449 /nfs/dbraw/zinc/29/54/49/394295449.db2.gz GMBVFYLNLFADBJ-NSHDSACASA-N 1 1 293.342 2.654 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000494014455 394339272 /nfs/dbraw/zinc/33/92/72/394339272.db2.gz DBGKUWPLDZRBFB-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158174929 394355188 /nfs/dbraw/zinc/35/51/88/394355188.db2.gz DKERQGRKQQGHCD-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000158174929 394355196 /nfs/dbraw/zinc/35/51/96/394355196.db2.gz DKERQGRKQQGHCD-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308399 394369744 /nfs/dbraw/zinc/36/97/44/394369744.db2.gz UJIRTFZIOFBGBM-DYEKYZERSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308399 394369746 /nfs/dbraw/zinc/36/97/46/394369746.db2.gz UJIRTFZIOFBGBM-DYEKYZERSA-N 1 1 289.379 2.871 20 5 CFBDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453382710 394393627 /nfs/dbraw/zinc/39/36/27/394393627.db2.gz ZMQIJSBDZXXAKJ-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000545293372 394789224 /nfs/dbraw/zinc/78/92/24/394789224.db2.gz UTPSJKDEBRIUDW-LLVKDONJSA-N 1 1 288.351 2.914 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000548623691 394941495 /nfs/dbraw/zinc/94/14/95/394941495.db2.gz WQFOMOBHGSYBIU-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000548623691 394941500 /nfs/dbraw/zinc/94/15/00/394941500.db2.gz WQFOMOBHGSYBIU-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1c([C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438205 394974052 /nfs/dbraw/zinc/97/40/52/394974052.db2.gz CKSLUARYJRNDPW-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438205 394974055 /nfs/dbraw/zinc/97/40/55/394974055.db2.gz CKSLUARYJRNDPW-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691519 397577035 /nfs/dbraw/zinc/57/70/35/397577035.db2.gz DIZNJMCFICNVKY-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000348242543 154376575 /nfs/dbraw/zinc/37/65/75/154376575.db2.gz ROSWBFZPKGPYED-OAHLLOKOSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC(CC)C[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355788580 155088125 /nfs/dbraw/zinc/08/81/25/155088125.db2.gz CCIZSIQIUNLNIY-UHFFFAOYSA-N 1 1 268.361 2.586 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367056081 156273923 /nfs/dbraw/zinc/27/39/23/156273923.db2.gz VSFFCMMEKVCGQR-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000373776617 157028843 /nfs/dbraw/zinc/02/88/43/157028843.db2.gz IAPXRTRINZXXKF-CQSZACIVSA-N 1 1 276.336 2.978 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1F ZINC000374795719 157159072 /nfs/dbraw/zinc/15/90/72/157159072.db2.gz SIOGFSXJJOQCBM-CABCVRRESA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@]12CCOC2 ZINC000375302630 157222681 /nfs/dbraw/zinc/22/26/81/157222681.db2.gz MEMJXILAOPCVDT-GIZXNFQBSA-N 1 1 288.347 2.863 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000376325567 157343476 /nfs/dbraw/zinc/34/34/76/157343476.db2.gz RTHCGDIUSWBNJS-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1NCc1c[nH+]c2n1CCCC2 ZINC000376486077 157361108 /nfs/dbraw/zinc/36/11/08/157361108.db2.gz GMAYWKJENWAHOR-UHFFFAOYSA-N 1 1 290.298 2.879 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000346163285 162336916 /nfs/dbraw/zinc/33/69/16/162336916.db2.gz LSZAJWMPOSBXPU-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346169352 162339349 /nfs/dbraw/zinc/33/93/49/162339349.db2.gz QFKKQBUUFLYBLM-CHWSQXEVSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346184185 162345313 /nfs/dbraw/zinc/34/53/13/162345313.db2.gz KYYJBHSSPVYLSN-OLZOCXBDSA-N 1 1 277.368 2.509 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000346322193 162382875 /nfs/dbraw/zinc/38/28/75/162382875.db2.gz UVIHOJCEMNYYAK-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349966447 163043294 /nfs/dbraw/zinc/04/32/94/163043294.db2.gz MQADKSOVLOOWMS-MRXNPFEDSA-N 1 1 289.379 2.572 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352689933 163223295 /nfs/dbraw/zinc/22/32/95/163223295.db2.gz DUPHLWYCKFJWRB-STQMWFEESA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352689933 163223296 /nfs/dbraw/zinc/22/32/96/163223296.db2.gz DUPHLWYCKFJWRB-STQMWFEESA-N 1 1 284.743 2.593 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352780461 163232000 /nfs/dbraw/zinc/23/20/00/163232000.db2.gz UMLRHZYJNVGHFR-CYBMUJFWSA-N 1 1 276.336 2.835 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000353091773 163304551 /nfs/dbraw/zinc/30/45/51/163304551.db2.gz HXBFVHQAMUARBM-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353091773 163304553 /nfs/dbraw/zinc/30/45/53/163304553.db2.gz HXBFVHQAMUARBM-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000353119199 163308426 /nfs/dbraw/zinc/30/84/26/163308426.db2.gz NKWIYJQRDQRMHW-AWEZNQCLSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353119199 163308429 /nfs/dbraw/zinc/30/84/29/163308429.db2.gz NKWIYJQRDQRMHW-AWEZNQCLSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@@H]1CC[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353458321 163369176 /nfs/dbraw/zinc/36/91/76/163369176.db2.gz BOMQWDCNCIEYGR-HZRUHFOJSA-N 1 1 289.379 2.634 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC1 ZINC000274477141 287152136 /nfs/dbraw/zinc/15/21/36/287152136.db2.gz LLWRWRWXVUNQMT-LBPRGKRZSA-N 1 1 277.368 2.682 20 5 CFBDMO COC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000008470828 170337133 /nfs/dbraw/zinc/33/71/33/170337133.db2.gz IVDAMQVVGUBOCX-NSHDSACASA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000020123805 171005197 /nfs/dbraw/zinc/00/51/97/171005197.db2.gz DEONMBBYEPRLNL-LLVKDONJSA-N 1 1 257.293 2.841 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000020127930 171013406 /nfs/dbraw/zinc/01/34/06/171013406.db2.gz JWFZQOMAKPPACQ-NSHDSACASA-N 1 1 257.293 2.841 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000020370277 171167570 /nfs/dbraw/zinc/16/75/70/171167570.db2.gz RPBLIMAXKVHJOF-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cs1 ZINC000284847945 196143303 /nfs/dbraw/zinc/14/33/03/196143303.db2.gz RIYUBQDNOYANAS-VXGBXAGGSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cs1 ZINC000284847945 196143305 /nfs/dbraw/zinc/14/33/05/196143305.db2.gz RIYUBQDNOYANAS-VXGBXAGGSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284947517 196162608 /nfs/dbraw/zinc/16/26/08/196162608.db2.gz WVIACYRIIIOCMA-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277392 172097475 /nfs/dbraw/zinc/09/74/75/172097475.db2.gz SYSWAXHRXFHSKC-ZDUSSCGKSA-N 1 1 263.341 2.799 20 5 CFBDMO CSCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285192229 196218016 /nfs/dbraw/zinc/21/80/16/196218016.db2.gz CLZMUJPNPXETMS-UHFFFAOYSA-N 1 1 268.382 2.822 20 5 CFBDMO Cn1nccc1C1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000285472353 196296700 /nfs/dbraw/zinc/29/67/00/196296700.db2.gz CCKCIZJGOFHRAT-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cn1nccc1C1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000285472353 196296701 /nfs/dbraw/zinc/29/67/01/196296701.db2.gz CCKCIZJGOFHRAT-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000038028736 174018117 /nfs/dbraw/zinc/01/81/17/174018117.db2.gz OHICSNKWMYZVMS-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1ccc(C[NH2+]CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000040433288 174261155 /nfs/dbraw/zinc/26/11/55/174261155.db2.gz QJWLQCQPWONCJV-UHFFFAOYSA-N 1 1 291.395 2.869 20 5 CFBDMO CC(C)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675858 174373328 /nfs/dbraw/zinc/37/33/28/174373328.db2.gz XAUXNAISHAQBAM-UHFFFAOYSA-N 1 1 291.395 2.600 20 5 CFBDMO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534129 175196950 /nfs/dbraw/zinc/19/69/50/175196950.db2.gz YQKQOUWAJLXWJN-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534129 175196951 /nfs/dbraw/zinc/19/69/51/175196951.db2.gz YQKQOUWAJLXWJN-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534129 175196953 /nfs/dbraw/zinc/19/69/53/175196953.db2.gz YQKQOUWAJLXWJN-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000044572615 175210385 /nfs/dbraw/zinc/21/03/85/175210385.db2.gz FRTJBOKFLIQJTG-ZDUSSCGKSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(C)(C)C1 ZINC000072827712 264273825 /nfs/dbraw/zinc/27/38/25/264273825.db2.gz XNWOIVOAZGHGRE-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000095015635 265285246 /nfs/dbraw/zinc/28/52/46/265285246.db2.gz WAARGZCURORSAC-CHWSQXEVSA-N 1 1 275.352 2.942 20 5 CFBDMO COCCOCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000289134284 274037275 /nfs/dbraw/zinc/03/72/75/274037275.db2.gz YCIXDSBCUCBLEP-CYBMUJFWSA-N 1 1 296.367 2.559 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628102 274335257 /nfs/dbraw/zinc/33/52/57/274335257.db2.gz LTINNWYMWJPVBG-ZYHUDNBSSA-N 1 1 281.331 2.510 20 5 CFBDMO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271635056 275606610 /nfs/dbraw/zinc/60/66/10/275606610.db2.gz PZMGRLUSFWJUIF-VXGBXAGGSA-N 1 1 293.367 2.501 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O ZINC000352416484 276002270 /nfs/dbraw/zinc/00/22/70/276002270.db2.gz GXBKSTNAYCAZJX-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000349976603 276242189 /nfs/dbraw/zinc/24/21/89/276242189.db2.gz PVXRRYNBJNDEGD-UONOGXRCSA-N 1 1 291.395 2.818 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642399 276339922 /nfs/dbraw/zinc/33/99/22/276339922.db2.gz BYBKHCDCWRUGBY-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000367646301 277042676 /nfs/dbraw/zinc/04/26/76/277042676.db2.gz QVPUFCJRQVAVAF-UHFFFAOYSA-N 1 1 275.352 2.659 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCOC2)C1 ZINC000408244532 278313546 /nfs/dbraw/zinc/31/35/46/278313546.db2.gz CLEHZOZDRUZFIS-DOMZBBRYSA-N 1 1 276.336 2.768 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819210 278347189 /nfs/dbraw/zinc/34/71/89/278347189.db2.gz BBLFBEZZRZLULC-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819210 278347191 /nfs/dbraw/zinc/34/71/91/278347191.db2.gz BBLFBEZZRZLULC-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177209362 279079999 /nfs/dbraw/zinc/07/99/99/279079999.db2.gz ILUDRMZPNAVJOA-VHSXEESVSA-N 1 1 275.308 2.966 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193899 288101639 /nfs/dbraw/zinc/10/16/39/288101639.db2.gz WXDQIGVGCNMSSZ-VHSXEESVSA-N 1 1 283.759 2.777 20 5 CFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000375946498 279379371 /nfs/dbraw/zinc/37/93/71/279379371.db2.gz HRILEXVQUPOBIK-LBPRGKRZSA-N 1 1 286.335 2.712 20 5 CFBDMO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423372126 279536646 /nfs/dbraw/zinc/53/66/46/279536646.db2.gz GUICYSDYIZOIET-UHTWSYAYSA-N 1 1 263.341 2.515 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305864821 281021947 /nfs/dbraw/zinc/02/19/47/281021947.db2.gz MRUQABXWLAPLBU-YNEHKIRRSA-N 1 1 278.352 2.667 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000515477761 281294078 /nfs/dbraw/zinc/29/40/78/281294078.db2.gz CNPVDOYURCAACH-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1cccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000112171028 281412302 /nfs/dbraw/zinc/41/23/02/281412302.db2.gz GMGRCVJEEUJYFN-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000548097832 281768822 /nfs/dbraw/zinc/76/88/22/281768822.db2.gz CQTAKANUFGZKGW-NXEZZACHSA-N 1 1 288.307 2.628 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000563149017 290108981 /nfs/dbraw/zinc/10/89/81/290108981.db2.gz DJWQXSQOBRHEKU-CQSZACIVSA-N 1 1 278.352 2.903 20 5 CFBDMO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416691 290146421 /nfs/dbraw/zinc/14/64/21/290146421.db2.gz INIXRJAGOCMBHY-WFASDCNBSA-N 1 1 289.379 2.514 20 5 CFBDMO CN1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416691 290146426 /nfs/dbraw/zinc/14/64/26/290146426.db2.gz INIXRJAGOCMBHY-WFASDCNBSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@H](SCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000160050405 290189071 /nfs/dbraw/zinc/18/90/71/290189071.db2.gz HQQRMRQPUKYHMC-LBPRGKRZSA-N 1 1 296.392 2.721 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000564917658 290249346 /nfs/dbraw/zinc/24/93/46/290249346.db2.gz ZUZNPOOYRUXYNX-HUUCEWRRSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566010451 290340836 /nfs/dbraw/zinc/34/08/36/290340836.db2.gz WZFQTSHZVXEUSD-OAHLLOKOSA-N 1 1 278.352 2.903 20 5 CFBDMO CCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350823394 324264248 /nfs/dbraw/zinc/26/42/48/324264248.db2.gz LZGYAKXMBHRNRW-UHFFFAOYSA-N 1 1 282.325 2.548 20 5 CFBDMO CCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350823394 324264250 /nfs/dbraw/zinc/26/42/50/324264250.db2.gz LZGYAKXMBHRNRW-UHFFFAOYSA-N 1 1 282.325 2.548 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145680 324326867 /nfs/dbraw/zinc/32/68/67/324326867.db2.gz KBIKWNDHDKHIIA-DTORHVGOSA-N 1 1 292.295 2.611 20 5 CFBDMO CCN(CC)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557176 325215537 /nfs/dbraw/zinc/21/55/37/325215537.db2.gz VFKMTQNIQUAKEG-AWEZNQCLSA-N 1 1 277.368 2.514 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668794 520412266 /nfs/dbraw/zinc/41/22/66/520412266.db2.gz OBOJGECUGBHLMU-UHFFFAOYSA-N 1 1 281.356 2.747 20 5 CFBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000083662399 521309863 /nfs/dbraw/zinc/30/98/63/521309863.db2.gz WYBOIULEOZRXQN-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171679712 521668951 /nfs/dbraw/zinc/66/89/51/521668951.db2.gz LFJTWIIWNHHSCE-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194613 533747444 /nfs/dbraw/zinc/74/74/44/533747444.db2.gz JGWASPWJAHRFJS-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413137233 533828377 /nfs/dbraw/zinc/82/83/77/533828377.db2.gz OPKINDAGHVZDRC-PHIMTYICSA-N 1 1 296.346 2.804 20 5 CFBDMO CC[C@H](NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111008 522591543 /nfs/dbraw/zinc/59/15/43/522591543.db2.gz UIKUEHFDJMDSAY-HNNXBMFYSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111008 522591551 /nfs/dbraw/zinc/59/15/51/522591551.db2.gz UIKUEHFDJMDSAY-HNNXBMFYSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414913812 534175744 /nfs/dbraw/zinc/17/57/44/534175744.db2.gz WYBLLWGKGXWVNY-HQQUCIOCSA-N 1 1 289.379 2.587 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361541073 518938487 /nfs/dbraw/zinc/93/84/87/518938487.db2.gz LPXBBZBQPHLHGW-GFCCVEGCSA-N 1 1 280.372 2.549 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470766 519862144 /nfs/dbraw/zinc/86/21/44/519862144.db2.gz WVVHFFAWHJYIIX-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000081173895 522978969 /nfs/dbraw/zinc/97/89/69/522978969.db2.gz JFGUWIYIHUDVKS-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO C[N@H+]1CC[C@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191209529 523981927 /nfs/dbraw/zinc/98/19/27/523981927.db2.gz CTZDJVMGWQQLKX-LBPRGKRZSA-N 1 1 266.366 2.780 20 5 CFBDMO Cc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000061555416 524573929 /nfs/dbraw/zinc/57/39/29/524573929.db2.gz GWCZUKFXKOEEBF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1c(C[N@@H+](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000156003516 525701089 /nfs/dbraw/zinc/70/10/89/525701089.db2.gz VNGIIIUSNCUGCN-UHFFFAOYSA-N 1 1 278.352 2.762 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367445785 525708222 /nfs/dbraw/zinc/70/82/22/525708222.db2.gz APEHWKHAMWOYIU-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305781356 526084617 /nfs/dbraw/zinc/08/46/17/526084617.db2.gz UMUZKAISTUTBOS-KCJUWKMLSA-N 1 1 292.257 2.511 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305781356 526084622 /nfs/dbraw/zinc/08/46/22/526084622.db2.gz UMUZKAISTUTBOS-KCJUWKMLSA-N 1 1 292.257 2.511 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000452032011 536507053 /nfs/dbraw/zinc/50/70/53/536507053.db2.gz VJHOFTIIOZGLEM-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000452032011 536507061 /nfs/dbraw/zinc/50/70/61/536507061.db2.gz VJHOFTIIOZGLEM-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO [NH3+]CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261756934 527194617 /nfs/dbraw/zinc/19/46/17/527194617.db2.gz COXPQNWXPNRHNR-LLVKDONJSA-N 1 1 297.786 2.809 20 5 CFBDMO CC(C)(N)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808841 527258459 /nfs/dbraw/zinc/25/84/59/527258459.db2.gz UKBYYCGQQTWFRQ-JSGCOSHPSA-N 1 1 291.395 2.633 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428078031 527358658 /nfs/dbraw/zinc/35/86/58/527358658.db2.gz QKZJZAWXNUTYTQ-KKTNHOPESA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000225997925 527387187 /nfs/dbraw/zinc/38/71/87/527387187.db2.gz LMBHRYDCUTUZLT-MRXNPFEDSA-N 1 1 284.315 2.956 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156164746 527389339 /nfs/dbraw/zinc/38/93/39/527389339.db2.gz SAEPOZRSVAQEKG-GHMZBOCLSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000225997078 527401384 /nfs/dbraw/zinc/40/13/84/527401384.db2.gz FHZAZHRSAOEBMZ-HNNXBMFYSA-N 1 1 284.315 2.956 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000174808330 527413619 /nfs/dbraw/zinc/41/36/19/527413619.db2.gz WQOJOTCSHYWLDA-UHFFFAOYSA-N 1 1 298.346 2.581 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000425989121 527501491 /nfs/dbraw/zinc/50/14/91/527501491.db2.gz JDSIVZRRRLRQDS-UGQYRENISA-N 1 1 290.363 2.701 20 5 CFBDMO CC[NH+](CC)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192595443 528136990 /nfs/dbraw/zinc/13/69/90/528136990.db2.gz QMKSPXDAECRTBG-MRXNPFEDSA-N 1 1 291.395 2.904 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851512 528517995 /nfs/dbraw/zinc/51/79/95/528517995.db2.gz OZLIHBOXGPRSDI-BRLPQQTGSA-N 1 1 277.368 2.571 20 5 CFBDMO CCC(CC)C[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000174863347 528743016 /nfs/dbraw/zinc/74/30/16/528743016.db2.gz FQYZRKRCEQZLBN-UHFFFAOYSA-N 1 1 268.361 2.549 20 5 CFBDMO CC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355435653 535748465 /nfs/dbraw/zinc/74/84/65/535748465.db2.gz NVSMXRWCWNNJQI-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000355435653 535748469 /nfs/dbraw/zinc/74/84/69/535748469.db2.gz NVSMXRWCWNNJQI-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C2CC2)C1 ZINC000733191083 574210370 /nfs/dbraw/zinc/21/03/70/574210370.db2.gz OXWONSZSJHZXIE-LBPRGKRZSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000747935155 574220855 /nfs/dbraw/zinc/22/08/55/574220855.db2.gz HCJHKLDUUCPARQ-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756902197 574272015 /nfs/dbraw/zinc/27/20/15/574272015.db2.gz QVYHSHYUIZPHLB-RISCZKNCSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756902196 574272254 /nfs/dbraw/zinc/27/22/54/574272254.db2.gz QVYHSHYUIZPHLB-FZMZJTMJSA-N 1 1 294.326 2.735 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)C(C)C ZINC000067366754 617722813 /nfs/dbraw/zinc/72/28/13/617722813.db2.gz LHULFXWZJFAKHG-LLVKDONJSA-N 1 1 268.361 2.732 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000891748874 617737516 /nfs/dbraw/zinc/73/75/16/617737516.db2.gz SMXZPEFVNSYSNM-UHFFFAOYSA-N 1 1 282.340 2.787 20 5 CFBDMO N[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333908 618198626 /nfs/dbraw/zinc/19/86/26/618198626.db2.gz SSDCJNVNYUOZGR-SJORKVTESA-N 1 1 297.358 2.872 20 5 CFBDMO [NH3+][C@@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333908 618198627 /nfs/dbraw/zinc/19/86/27/618198627.db2.gz SSDCJNVNYUOZGR-SJORKVTESA-N 1 1 297.358 2.872 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000062351059 618375577 /nfs/dbraw/zinc/37/55/77/618375577.db2.gz NLJGKWHKDCJKBW-OAHLLOKOSA-N 1 1 278.352 2.893 20 5 CFBDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931257381 618472315 /nfs/dbraw/zinc/47/23/15/618472315.db2.gz DAJPFYOQWMIJMB-CYBMUJFWSA-N 1 1 266.316 2.670 20 5 CFBDMO CC[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925540481 618899208 /nfs/dbraw/zinc/89/92/08/618899208.db2.gz CKEMFCYNTDTHFP-RRFJBIMHSA-N 1 1 289.379 2.905 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000092971865 618972179 /nfs/dbraw/zinc/97/21/79/618972179.db2.gz GJMREWUHLHMDSO-OCCSQVGLSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980383 619210117 /nfs/dbraw/zinc/21/01/17/619210117.db2.gz YKRNPQBOKATABF-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895737493 619598102 /nfs/dbraw/zinc/59/81/02/619598102.db2.gz WMXOHBXPFFNSRB-PWSUYJOCSA-N 1 1 291.351 2.692 20 5 CFBDMO C[C@@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000895738712 619598562 /nfs/dbraw/zinc/59/85/62/619598562.db2.gz YQTZZPAPAPMRPH-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1c(-c2noc(C3([NH+](C)C)CC3)n2)cccc1[N+](=O)[O-] ZINC000896389389 619727764 /nfs/dbraw/zinc/72/77/64/619727764.db2.gz YXPDJGNGDMVQPW-UHFFFAOYSA-N 1 1 288.307 2.504 20 5 CFBDMO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896509229 619747222 /nfs/dbraw/zinc/74/72/22/619747222.db2.gz BNUPRHCXHCUNBV-LLVKDONJSA-N 1 1 286.335 2.977 20 5 CFBDMO Cc1ccc(-c2noc([C@@H](C)[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000923821417 620093293 /nfs/dbraw/zinc/09/32/93/620093293.db2.gz PSYFOZGIMMZZDE-SECBINFHSA-N 1 1 276.296 2.576 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861703 620152578 /nfs/dbraw/zinc/15/25/78/620152578.db2.gz XYUYGKCMWSJSHN-QWRGUYRKSA-N 1 1 274.324 2.632 20 5 CFBDMO CCN1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897466666 620177445 /nfs/dbraw/zinc/17/74/45/620177445.db2.gz ZBUXEAYUGSTYBP-CYBMUJFWSA-N 1 1 291.395 2.772 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912295 620612729 /nfs/dbraw/zinc/61/27/29/620612729.db2.gz HONWMVSCPNIABN-HZPDHXFCSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912293 620612931 /nfs/dbraw/zinc/61/29/31/620612931.db2.gz HONWMVSCPNIABN-CVEARBPZSA-N 1 1 290.363 2.893 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902978781 621216739 /nfs/dbraw/zinc/21/67/39/621216739.db2.gz DPJJHSOTMJEJBH-ZDUSSCGKSA-N 1 1 295.314 2.545 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902978781 621216741 /nfs/dbraw/zinc/21/67/41/621216741.db2.gz DPJJHSOTMJEJBH-ZDUSSCGKSA-N 1 1 295.314 2.545 20 5 CFBDMO COc1cc([C@@H](C)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085471 621246835 /nfs/dbraw/zinc/24/68/35/621246835.db2.gz CYKXZBQRTLUNPV-GFCCVEGCSA-N 1 1 295.383 2.594 20 5 CFBDMO COc1cc([C@@H](C)[NH2+]CCN(C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085471 621246840 /nfs/dbraw/zinc/24/68/40/621246840.db2.gz CYKXZBQRTLUNPV-GFCCVEGCSA-N 1 1 295.383 2.594 20 5 CFBDMO C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286843 621318709 /nfs/dbraw/zinc/31/87/09/621318709.db2.gz ICZMUSOUUHCTFD-OZVIIMIRSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286843 621318713 /nfs/dbraw/zinc/31/87/13/621318713.db2.gz ICZMUSOUUHCTFD-OZVIIMIRSA-N 1 1 289.379 2.728 20 5 CFBDMO CC(C)c1ccc(CNCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000903940694 621481799 /nfs/dbraw/zinc/48/17/99/621481799.db2.gz AFJOZFFFQUMWCO-UHFFFAOYSA-N 1 1 279.384 2.935 20 5 CFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C[NH3+] ZINC000904411587 621592294 /nfs/dbraw/zinc/59/22/94/621592294.db2.gz NTKRBWHJMUWSJR-WDEREUQCSA-N 1 1 297.786 2.665 20 5 CFBDMO Cc1ccc(C[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccn2)cc1 ZINC000905122494 621703905 /nfs/dbraw/zinc/70/39/05/621703905.db2.gz PKDYKHICELANEU-MRXNPFEDSA-N 1 1 285.347 2.540 20 5 CFBDMO O=[N+]([O-])CCNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000905312037 621739028 /nfs/dbraw/zinc/73/90/28/621739028.db2.gz FRXXMRCMBPECIU-UHFFFAOYSA-N 1 1 263.341 2.977 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000171214535 623211512 /nfs/dbraw/zinc/21/15/12/623211512.db2.gz OIYSACCVMAATFY-UHFFFAOYSA-N 1 1 278.356 2.794 20 5 CFBDMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351078 623265714 /nfs/dbraw/zinc/26/57/14/623265714.db2.gz WALKLBRQKLLUCJ-INIZCTEOSA-N 1 1 286.331 2.760 20 5 CFBDMO Cc1sc(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000914083989 623689126 /nfs/dbraw/zinc/68/91/26/623689126.db2.gz JZZWVGRUKLOCPS-UHFFFAOYSA-N 1 1 298.364 2.607 20 5 CFBDMO CC(C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288250 623913379 /nfs/dbraw/zinc/91/33/79/623913379.db2.gz QNOMBIZBUZEYAW-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288250 623913381 /nfs/dbraw/zinc/91/33/81/623913381.db2.gz QNOMBIZBUZEYAW-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO CCC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828105418 624174543 /nfs/dbraw/zinc/17/45/43/624174543.db2.gz BZQXTENWVCDGEK-GFCCVEGCSA-N 1 1 286.759 2.841 20 5 CFBDMO CCC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828105418 624174548 /nfs/dbraw/zinc/17/45/48/624174548.db2.gz BZQXTENWVCDGEK-GFCCVEGCSA-N 1 1 286.759 2.841 20 5 CFBDMO CSCC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154557618 624392867 /nfs/dbraw/zinc/39/28/67/624392867.db2.gz NYKWWFMKFUHOQE-FZMZJTMJSA-N 1 1 298.408 2.702 20 5 CFBDMO CSCC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154557734 624392886 /nfs/dbraw/zinc/39/28/86/624392886.db2.gz NYKWWFMKFUHOQE-RISCZKNCSA-N 1 1 298.408 2.702 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000831533715 625044629 /nfs/dbraw/zinc/04/46/29/625044629.db2.gz KBTDBPHPFYNCIR-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCn3ccnc32)cccc1[N+](=O)[O-] ZINC000834837426 625896807 /nfs/dbraw/zinc/89/68/07/625896807.db2.gz WFQJCRQQMCAKMK-WCQYABFASA-N 1 1 286.335 2.895 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522688 626478712 /nfs/dbraw/zinc/47/87/12/626478712.db2.gz YQVYWRALKAVFIR-MELADBBJSA-N 1 1 289.379 2.506 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839191890 626530840 /nfs/dbraw/zinc/53/08/40/626530840.db2.gz LQJQGRFUIHXPIJ-AWEZNQCLSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924704 626702652 /nfs/dbraw/zinc/70/26/52/626702652.db2.gz ZGPQSOWEKPQKIR-DOMZBBRYSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272565 627189557 /nfs/dbraw/zinc/18/95/57/627189557.db2.gz YWAVGOKXJINYJS-CHWSQXEVSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272565 627189558 /nfs/dbraw/zinc/18/95/58/627189558.db2.gz YWAVGOKXJINYJS-CHWSQXEVSA-N 1 1 277.368 2.730 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000767002839 627230850 /nfs/dbraw/zinc/23/08/50/627230850.db2.gz YUUSIVYSEXTMGJ-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000767763191 627282809 /nfs/dbraw/zinc/28/28/09/627282809.db2.gz RZAHMUVSUKOFKD-GFCCVEGCSA-N 1 1 266.345 2.794 20 5 CFBDMO CO[C@@H]1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869955 634565932 /nfs/dbraw/zinc/56/59/32/634565932.db2.gz WOJDZTGCIGPNBA-CHWSQXEVSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459443 627606027 /nfs/dbraw/zinc/60/60/27/627606027.db2.gz KHMRGLCBTWKWDW-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C=Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000775005297 627984564 /nfs/dbraw/zinc/98/45/64/627984564.db2.gz RCHGXTMEFYEUHA-UHFFFAOYSA-N 1 1 292.726 2.835 20 5 CFBDMO CC[C@@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585961 628161036 /nfs/dbraw/zinc/16/10/36/628161036.db2.gz FOBIKTCNIBNOSL-GJZGRUSLSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776584291 628161147 /nfs/dbraw/zinc/16/11/47/628161147.db2.gz KIBVIDBZZYHBLC-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000776587086 628162219 /nfs/dbraw/zinc/16/22/19/628162219.db2.gz DYJXQVKDMQPFDW-HNNXBMFYSA-N 1 1 290.363 2.894 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592562 628162946 /nfs/dbraw/zinc/16/29/46/628162946.db2.gz PWIQCIYJFWBKMB-WFASDCNBSA-N 1 1 280.368 2.996 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599228 628164023 /nfs/dbraw/zinc/16/40/23/628164023.db2.gz XODGVYFLMKFKGC-LNSITVRQSA-N 1 1 278.352 2.891 20 5 CFBDMO CC[C@@H](CSC)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605500 628164127 /nfs/dbraw/zinc/16/41/27/628164127.db2.gz LNPRCCLPOLXUSB-JSGCOSHPSA-N 1 1 298.408 2.702 20 5 CFBDMO CC(C)(C(=O)OCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000805615949 628330997 /nfs/dbraw/zinc/33/09/97/628330997.db2.gz MAWHEIPZUXUTJT-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000779858787 628414820 /nfs/dbraw/zinc/41/48/20/628414820.db2.gz FLGZEZSMTBFDIG-GFCCVEGCSA-N 1 1 266.345 2.568 20 5 CFBDMO C[C@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783570879 628722168 /nfs/dbraw/zinc/72/21/68/628722168.db2.gz HWTJEGODQNWGHF-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783570879 628722170 /nfs/dbraw/zinc/72/21/70/628722170.db2.gz HWTJEGODQNWGHF-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659056 628731796 /nfs/dbraw/zinc/73/17/96/628731796.db2.gz FYLYMOQUIXPDID-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352436 628808772 /nfs/dbraw/zinc/80/87/72/628808772.db2.gz NXIGTWVWAVMROG-SWLSCSKDSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000785728538 628907634 /nfs/dbraw/zinc/90/76/34/628907634.db2.gz IHPWIKCXFXLOEW-TXEJJXNPSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000785728538 628907636 /nfs/dbraw/zinc/90/76/36/628907636.db2.gz IHPWIKCXFXLOEW-TXEJJXNPSA-N 1 1 292.335 2.511 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290434 634712297 /nfs/dbraw/zinc/71/22/97/634712297.db2.gz IAEUIDBDNUFBBM-SMDDNHRTSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CCO ZINC000852461033 634749755 /nfs/dbraw/zinc/74/97/55/634749755.db2.gz FMZRVAJPEMXSTR-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO CCCC[N@H+](CC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794617736 629668738 /nfs/dbraw/zinc/66/87/38/629668738.db2.gz XFNGGVRSMHEUCD-UHFFFAOYSA-N 1 1 293.323 2.582 20 5 CFBDMO CCCC[N@@H+](CC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794617736 629668741 /nfs/dbraw/zinc/66/87/41/629668741.db2.gz XFNGGVRSMHEUCD-UHFFFAOYSA-N 1 1 293.323 2.582 20 5 CFBDMO C[C@H]([NH2+]Cc1cccnc1F)c1ccc([N+](=O)[O-])cc1 ZINC000794838685 629693343 /nfs/dbraw/zinc/69/33/43/629693343.db2.gz ZPANRMGRQJYAMQ-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745445 629829001 /nfs/dbraw/zinc/82/90/01/629829001.db2.gz PGROMFWSOJGEGX-IUODEOHRSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745445 629829005 /nfs/dbraw/zinc/82/90/05/629829005.db2.gz PGROMFWSOJGEGX-IUODEOHRSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852560533 634780786 /nfs/dbraw/zinc/78/07/86/634780786.db2.gz YMMVDDKCWLMPRZ-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852560533 634780790 /nfs/dbraw/zinc/78/07/90/634780790.db2.gz YMMVDDKCWLMPRZ-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798963485 630265668 /nfs/dbraw/zinc/26/56/68/630265668.db2.gz FQWNOFQYSJIAGJ-AWEZNQCLSA-N 1 1 283.331 2.979 20 5 CFBDMO C[N@H+](CC1=CCSC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852747538 634821678 /nfs/dbraw/zinc/82/16/78/634821678.db2.gz MZLIBOGRNJJTCL-UHFFFAOYSA-N 1 1 282.340 2.839 20 5 CFBDMO C[N@@H+](CC1=CCSC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852747538 634821685 /nfs/dbraw/zinc/82/16/85/634821685.db2.gz MZLIBOGRNJJTCL-UHFFFAOYSA-N 1 1 282.340 2.839 20 5 CFBDMO Cc1nn(C[N@H+](C)CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000840101924 630894696 /nfs/dbraw/zinc/89/46/96/630894696.db2.gz MSDSJHYJBWPDQN-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO Cc1nn(C[N@@H+](C)CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000840101924 630894698 /nfs/dbraw/zinc/89/46/98/630894698.db2.gz MSDSJHYJBWPDQN-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO CC(C)C(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000808740422 631041290 /nfs/dbraw/zinc/04/12/90/631041290.db2.gz PFJOTVUFIPJODW-UHFFFAOYSA-N 1 1 276.336 2.568 20 5 CFBDMO CC(C)C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000808740422 631041294 /nfs/dbraw/zinc/04/12/94/631041294.db2.gz PFJOTVUFIPJODW-UHFFFAOYSA-N 1 1 276.336 2.568 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC=CO1 ZINC000809689302 631263918 /nfs/dbraw/zinc/26/39/18/631263918.db2.gz XHQNNSFAFRNNRW-AWEZNQCLSA-N 1 1 276.336 2.762 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)CC(C)C)n1 ZINC000845577879 632468255 /nfs/dbraw/zinc/46/82/55/632468255.db2.gz ADWXPACIBORSPO-UHFFFAOYSA-N 1 1 280.372 2.688 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491897 633265584 /nfs/dbraw/zinc/26/55/84/633265584.db2.gz ZWQKMGCZPZKFCM-CYBMUJFWSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491897 633265587 /nfs/dbraw/zinc/26/55/87/633265587.db2.gz ZWQKMGCZPZKFCM-CYBMUJFWSA-N 1 1 286.335 2.900 20 5 CFBDMO Cc1c(CO[NH+]=C(N)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000848523120 633276451 /nfs/dbraw/zinc/27/64/51/633276451.db2.gz YNBQHFAPQPCKFU-KWQFWETISA-N 1 1 263.297 2.558 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111173576 634942106 /nfs/dbraw/zinc/94/21/06/634942106.db2.gz QWBKSCUMYYOOTC-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000111173576 634942109 /nfs/dbraw/zinc/94/21/09/634942109.db2.gz QWBKSCUMYYOOTC-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO CCC[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492884 635016754 /nfs/dbraw/zinc/01/67/54/635016754.db2.gz DTLPWFYCMPNCRR-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000853605982 635048190 /nfs/dbraw/zinc/04/81/90/635048190.db2.gz OUVDFJAINXSASO-CYBMUJFWSA-N 1 1 278.356 2.794 20 5 CFBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853627072 635052094 /nfs/dbraw/zinc/05/20/94/635052094.db2.gz NHKNRUQWJFNIJI-LBPRGKRZSA-N 1 1 288.351 2.880 20 5 CFBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853626670 635052181 /nfs/dbraw/zinc/05/21/81/635052181.db2.gz DGGGQWKGLANQHU-GFCCVEGCSA-N 1 1 288.351 2.880 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000853687289 635075414 /nfs/dbraw/zinc/07/54/14/635075414.db2.gz SFSSZKLDYDBBIC-LLVKDONJSA-N 1 1 281.331 2.654 20 5 CFBDMO C[N@H+](CCc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000113246585 635511841 /nfs/dbraw/zinc/51/18/41/635511841.db2.gz BCGVHNGFOBPLKX-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000113246585 635511852 /nfs/dbraw/zinc/51/18/52/635511852.db2.gz BCGVHNGFOBPLKX-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512572 636017476 /nfs/dbraw/zinc/01/74/76/636017476.db2.gz NCYJDEQTLAAUDP-JSGCOSHPSA-N 1 1 286.335 2.627 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000857864682 636039449 /nfs/dbraw/zinc/03/94/49/636039449.db2.gz JPOBLPPDXANDDP-CYBMUJFWSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCCc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000857864682 636039450 /nfs/dbraw/zinc/03/94/50/636039450.db2.gz JPOBLPPDXANDDP-CYBMUJFWSA-N 1 1 286.335 2.794 20 5 CFBDMO CCCCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000116256273 636323819 /nfs/dbraw/zinc/32/38/19/636323819.db2.gz XJSARVVFMCWSRA-UHFFFAOYSA-N 1 1 254.334 2.649 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000866540290 638838686 /nfs/dbraw/zinc/83/86/86/638838686.db2.gz YBSCPHJQQOAEQL-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582119 638848389 /nfs/dbraw/zinc/84/83/89/638848389.db2.gz DLKMRKMGMGNEOP-INWMFGNUSA-N 1 1 289.379 2.682 20 5 CFBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758844 638890755 /nfs/dbraw/zinc/89/07/55/638890755.db2.gz ZMMMPQZTFNXGFT-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758844 638890757 /nfs/dbraw/zinc/89/07/57/638890757.db2.gz ZMMMPQZTFNXGFT-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC4(CCC4)C3)c2c1 ZINC000121836941 638897715 /nfs/dbraw/zinc/89/77/15/638897715.db2.gz PDWNVJNCVOLIIB-UHFFFAOYSA-N 1 1 286.335 2.778 20 5 CFBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000122169133 638949170 /nfs/dbraw/zinc/94/91/70/638949170.db2.gz IEQZNQJDUPWFIR-LBPRGKRZSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025939 641556786 /nfs/dbraw/zinc/55/67/86/641556786.db2.gz WBBGXIZRNZPQOG-NEPJUHHUSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034519 641566183 /nfs/dbraw/zinc/56/61/83/641566183.db2.gz PJSWNVCXHKKSRP-WDEREUQCSA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039765 641574528 /nfs/dbraw/zinc/57/45/28/641574528.db2.gz GYKVRMZDSPRGMY-NEPJUHHUSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054604 641589207 /nfs/dbraw/zinc/58/92/07/641589207.db2.gz ZPTCJFLKDSZHPI-LLVKDONJSA-N 1 1 293.342 2.646 20 5 CFBDMO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872087825 641621624 /nfs/dbraw/zinc/62/16/24/641621624.db2.gz IGVMUGZPUPJCLG-KDDOJWQBSA-N 1 1 268.288 2.562 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000872129803 641657752 /nfs/dbraw/zinc/65/77/52/641657752.db2.gz UVKVZUSXEAUBKQ-RDBSUJKOSA-N 1 1 289.379 2.872 20 5 CFBDMO CCOC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193778153 650698173 /nfs/dbraw/zinc/69/81/73/650698173.db2.gz WUDBGYCMFVKYEO-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(F)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000872690760 641897187 /nfs/dbraw/zinc/89/71/87/641897187.db2.gz WZSQQCLEELACCY-UHFFFAOYSA-N 1 1 292.314 2.726 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780610 641935236 /nfs/dbraw/zinc/93/52/36/641935236.db2.gz MNDANOIGBSILOG-QWHCGFSZSA-N 1 1 293.342 2.715 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818141 641945825 /nfs/dbraw/zinc/94/58/25/641945825.db2.gz GZJGSMVCAUKJKR-JTQLQIEISA-N 1 1 282.388 2.980 20 5 CFBDMO Cc1nnsc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873127460 642021504 /nfs/dbraw/zinc/02/15/04/642021504.db2.gz NPUOSQVWTQPXIP-UHFFFAOYSA-N 1 1 292.364 2.661 20 5 CFBDMO COc1cccnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873129897 642022620 /nfs/dbraw/zinc/02/26/20/642022620.db2.gz SUQDUTMUVGXWKK-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO COc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000877730100 643490609 /nfs/dbraw/zinc/49/06/09/643490609.db2.gz MKBBGYXMZDTGQP-UHFFFAOYSA-N 1 1 293.348 2.658 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877795387 643560997 /nfs/dbraw/zinc/56/09/97/643560997.db2.gz JGBAJUZDGINPKZ-AWEZNQCLSA-N 1 1 292.379 2.620 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877917526 643639932 /nfs/dbraw/zinc/63/99/32/643639932.db2.gz WREAPRRHJPGGNN-NOLJZWGESA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877917526 643639934 /nfs/dbraw/zinc/63/99/34/643639934.db2.gz WREAPRRHJPGGNN-NOLJZWGESA-N 1 1 290.363 2.984 20 5 CFBDMO CSCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246283669 650863328 /nfs/dbraw/zinc/86/33/28/650863328.db2.gz NYKWWFMKFUHOQE-BXUZGUMPSA-N 1 1 298.408 2.702 20 5 CFBDMO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533483 643931649 /nfs/dbraw/zinc/93/16/49/643931649.db2.gz POCBLYIZDWLZEB-UWVGGRQHSA-N 1 1 288.307 2.628 20 5 CFBDMO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000879188126 644169285 /nfs/dbraw/zinc/16/92/85/644169285.db2.gz HSAAZICBERDQHI-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000879188126 644169294 /nfs/dbraw/zinc/16/92/94/644169294.db2.gz HSAAZICBERDQHI-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879555640 644317548 /nfs/dbraw/zinc/31/75/48/644317548.db2.gz AILIJIOMTKVYMT-JQWIXIFHSA-N 1 1 296.367 2.919 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880231307 644591881 /nfs/dbraw/zinc/59/18/81/644591881.db2.gz XXMRFQUUCLEUCX-LLVKDONJSA-N 1 1 282.315 2.785 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CF)C3)nc2c1 ZINC000880236808 644598790 /nfs/dbraw/zinc/59/87/90/644598790.db2.gz JKQIMIHDDFHOFQ-JTQLQIEISA-N 1 1 292.314 2.653 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CF)C3)nc2c1 ZINC000880236808 644598799 /nfs/dbraw/zinc/59/87/99/644598799.db2.gz JKQIMIHDDFHOFQ-JTQLQIEISA-N 1 1 292.314 2.653 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(F)CC1 ZINC000880239351 644601571 /nfs/dbraw/zinc/60/15/71/644601571.db2.gz ZWIFLJKQWQKDFJ-UHFFFAOYSA-N 1 1 256.252 2.668 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238566 644601876 /nfs/dbraw/zinc/60/18/76/644601876.db2.gz UUPVBWXBMDHKGG-SNVBAGLBSA-N 1 1 297.286 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238566 644601880 /nfs/dbraw/zinc/60/18/80/644601880.db2.gz UUPVBWXBMDHKGG-SNVBAGLBSA-N 1 1 297.286 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(F)CC1 ZINC000880242594 644605752 /nfs/dbraw/zinc/60/57/52/644605752.db2.gz FBNJBPQJXLWXNX-UHFFFAOYSA-N 1 1 256.252 2.668 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CF)C3)nc2c1 ZINC000880295407 644635150 /nfs/dbraw/zinc/63/51/50/644635150.db2.gz SSUZGFUTKRSIDF-VIFPVBQESA-N 1 1 279.271 2.527 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](CF)C3)nc2c1 ZINC000880295407 644635154 /nfs/dbraw/zinc/63/51/54/644635154.db2.gz SSUZGFUTKRSIDF-VIFPVBQESA-N 1 1 279.271 2.527 20 5 CFBDMO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000882547365 645365623 /nfs/dbraw/zinc/36/56/23/645365623.db2.gz LLZJHEPMDQMFPH-ZYHUDNBSSA-N 1 1 294.330 2.558 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000882961054 645531978 /nfs/dbraw/zinc/53/19/78/645531978.db2.gz DAFXTYWFDWNGHP-SNVBAGLBSA-N 1 1 292.364 2.711 20 5 CFBDMO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000305141052 651051777 /nfs/dbraw/zinc/05/17/77/651051777.db2.gz MJFNRTCOVSNRRL-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO CC(C)COC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885964071 646786896 /nfs/dbraw/zinc/78/68/96/646786896.db2.gz WHAOJHXNGBGCQI-UHFFFAOYSA-N 1 1 293.367 2.627 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000886011324 646814665 /nfs/dbraw/zinc/81/46/65/646814665.db2.gz YQZRFMMPPBOFCY-INIZCTEOSA-N 1 1 297.358 2.979 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000886021479 646824381 /nfs/dbraw/zinc/82/43/81/646824381.db2.gz XHWIYVDRCNDXQC-AAEUAGOBSA-N 1 1 261.325 2.754 20 5 CFBDMO C[C@@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886124831 646882684 /nfs/dbraw/zinc/88/26/84/646882684.db2.gz BRPZBQXKHPQGJE-JTQLQIEISA-N 1 1 292.364 2.682 20 5 CFBDMO C[C@@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886124831 646882693 /nfs/dbraw/zinc/88/26/93/646882693.db2.gz BRPZBQXKHPQGJE-JTQLQIEISA-N 1 1 292.364 2.682 20 5 CFBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cn1 ZINC000886129776 646886347 /nfs/dbraw/zinc/88/63/47/646886347.db2.gz NTPYBVGQAUIENC-LLVKDONJSA-N 1 1 289.339 2.618 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000886146709 646895563 /nfs/dbraw/zinc/89/55/63/646895563.db2.gz ANPNLARSERBGKS-UHFFFAOYSA-N 1 1 293.367 2.507 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000886274146 646946042 /nfs/dbraw/zinc/94/60/42/646946042.db2.gz NDZBWGZINBIEKO-UHFFFAOYSA-N 1 1 287.319 2.962 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928902 647178295 /nfs/dbraw/zinc/17/82/95/647178295.db2.gz WZMMSOAVTIOVBE-CQSZACIVSA-N 1 1 287.294 2.906 20 5 CFBDMO COc1ccnc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000925309534 648154799 /nfs/dbraw/zinc/15/47/99/648154799.db2.gz GVGRIMMTLLCSBN-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1nc(NCCn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000928995902 648972361 /nfs/dbraw/zinc/97/23/61/648972361.db2.gz LSMSMXKEIBOTRC-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000929132635 648987129 /nfs/dbraw/zinc/98/71/29/648987129.db2.gz FVZVJYZDSNVYKY-CQSZACIVSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1nc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000930439524 649247886 /nfs/dbraw/zinc/24/78/86/649247886.db2.gz JATKRASCCPKFNV-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932387796 649591631 /nfs/dbraw/zinc/59/16/31/649591631.db2.gz ZNFLLZOPYRFCOL-CQSZACIVSA-N 1 1 284.319 2.626 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396463 649691604 /nfs/dbraw/zinc/69/16/04/649691604.db2.gz RFZWORXXKVGNRY-NSHDSACASA-N 1 1 287.319 2.888 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396463 649691607 /nfs/dbraw/zinc/69/16/07/649691607.db2.gz RFZWORXXKVGNRY-NSHDSACASA-N 1 1 287.319 2.888 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934301051 649770335 /nfs/dbraw/zinc/77/03/35/649770335.db2.gz RWFFDCZTVYWSQI-LBPRGKRZSA-N 1 1 280.393 2.965 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703935 775253967 /nfs/dbraw/zinc/25/39/67/775253967.db2.gz VRLDKEVXCUPAKT-HOTGVXAUSA-N 1 1 290.363 2.563 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703937 775254344 /nfs/dbraw/zinc/25/43/44/775254344.db2.gz VRLDKEVXCUPAKT-JKSUJKDBSA-N 1 1 290.363 2.563 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225383359 775436459 /nfs/dbraw/zinc/43/64/59/775436459.db2.gz YXGVMIMRWOGNQK-SNVBAGLBSA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383921 775438444 /nfs/dbraw/zinc/43/84/44/775438444.db2.gz IUQYYFNKHVYLTK-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001225575777 775507554 /nfs/dbraw/zinc/50/75/54/775507554.db2.gz WNWBNNZUIFJSIJ-ZSBIGDGJSA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(F)c1[N+](=O)[O-])C2 ZINC001225664160 775546806 /nfs/dbraw/zinc/54/68/06/775546806.db2.gz KZXREBMQNLFUTL-URLYPYJESA-N 1 1 280.299 2.738 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293093020 775561475 /nfs/dbraw/zinc/56/14/75/775561475.db2.gz KOSYBWKTMBYESC-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1Cl ZINC001225790020 775594949 /nfs/dbraw/zinc/59/49/49/775594949.db2.gz YGYQJNCITYJNIE-VIFPVBQESA-N 1 1 293.710 2.839 20 5 CFBDMO O=[N+]([O-])c1cccc(OC2CC[NH+](CCF)CC2)c1F ZINC001225793737 775595047 /nfs/dbraw/zinc/59/50/47/775595047.db2.gz DKHMCMUFERFFIW-UHFFFAOYSA-N 1 1 286.278 2.547 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907374 775631241 /nfs/dbraw/zinc/63/12/41/775631241.db2.gz NDQRCOJXUFUIRJ-GFCCVEGCSA-N 1 1 282.315 2.986 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943340 775643463 /nfs/dbraw/zinc/64/34/63/775643463.db2.gz YYMLITWJXLYONA-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943338 775643884 /nfs/dbraw/zinc/64/38/84/775643884.db2.gz YYMLITWJXLYONA-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195935 775734221 /nfs/dbraw/zinc/73/42/21/775734221.db2.gz NEFBHVHEYVTKBN-QMMMGPOBSA-N 1 1 288.706 2.860 20 5 CFBDMO Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001226950267 776031331 /nfs/dbraw/zinc/03/13/31/776031331.db2.gz HAHPMDQOPWJNBM-DABQJJPHSA-N 1 1 276.336 2.907 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2C)C1 ZINC001226991873 776053084 /nfs/dbraw/zinc/05/30/84/776053084.db2.gz GRECJUQYVISKBO-CYBMUJFWSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC001227523996 776219864 /nfs/dbraw/zinc/21/98/64/776219864.db2.gz VNFCRJAKAPYUAT-JJLQDPRZSA-N 1 1 276.336 2.704 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209680 776422495 /nfs/dbraw/zinc/42/24/95/776422495.db2.gz WBJKZFFAWMOBNQ-JTQLQIEISA-N 1 1 293.348 2.678 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256469 776435585 /nfs/dbraw/zinc/43/55/85/776435585.db2.gz XHXAFJNIBNFQBO-NSHDSACASA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228834060 776625663 /nfs/dbraw/zinc/62/56/63/776625663.db2.gz ZNCPZCDLDHHZAC-CYBMUJFWSA-N 1 1 264.325 2.766 20 5 CFBDMO O=[N+]([O-])c1ccncc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228879312 776643950 /nfs/dbraw/zinc/64/39/50/776643950.db2.gz GNUHWEUJIMQYQY-CQSZACIVSA-N 1 1 299.330 2.643 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930368 776660333 /nfs/dbraw/zinc/66/03/33/776660333.db2.gz LCSOUBNDTYOSDG-MRVPVSSYSA-N 1 1 290.241 2.697 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1COC1C[NH+](C(C)(C)C)C1 ZINC001223535147 776713624 /nfs/dbraw/zinc/71/36/24/776713624.db2.gz FQPISTXAJFAKSN-UHFFFAOYSA-N 1 1 278.352 2.903 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229118769 776725093 /nfs/dbraw/zinc/72/50/93/776725093.db2.gz HSQTYCIIRAQQFS-CEFACKQISA-N 1 1 276.336 2.797 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229485608 776827236 /nfs/dbraw/zinc/82/72/36/776827236.db2.gz BWAZTASCDSJFPH-NSHDSACASA-N 1 1 291.307 2.599 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)cc1F ZINC001229894502 776912801 /nfs/dbraw/zinc/91/28/01/776912801.db2.gz JMJYBHUORGXELL-LLVKDONJSA-N 1 1 282.315 2.905 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225384053 776981117 /nfs/dbraw/zinc/98/11/17/776981117.db2.gz KECDXKOURJJRSH-LBPRGKRZSA-N 1 1 282.315 2.986 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130221222 779165185 /nfs/dbraw/zinc/16/51/85/779165185.db2.gz PYEAFUUMGYGPRW-IVMMDQJWSA-N 1 1 289.379 2.872 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)COC1 ZINC000702986118 780973619 /nfs/dbraw/zinc/97/36/19/780973619.db2.gz JACCRGWJQKFIQX-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)COC1 ZINC000702986118 780973626 /nfs/dbraw/zinc/97/36/26/780973626.db2.gz JACCRGWJQKFIQX-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(C)COC1 ZINC000702986375 780973869 /nfs/dbraw/zinc/97/38/69/780973869.db2.gz PWAXKAJEWBQQIG-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000124337488 187133376 /nfs/dbraw/zinc/13/33/76/187133376.db2.gz FSWYJWHBBRWCLR-JTQLQIEISA-N 1 1 280.324 2.596 20 5 CFBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594601246 349458213 /nfs/dbraw/zinc/45/82/13/349458213.db2.gz MXQGTXQWZBVGJA-OCCSQVGLSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594601247 349458361 /nfs/dbraw/zinc/45/83/61/349458361.db2.gz MXQGTXQWZBVGJA-TZMCWYRMSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1c(C[NH2+]Cc2nccn2C(C)C)cccc1[N+](=O)[O-] ZINC000594941240 349520938 /nfs/dbraw/zinc/52/09/38/349520938.db2.gz YEJFLKMMDIENSR-UHFFFAOYSA-N 1 1 288.351 2.970 20 5 CFBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273066744 192034640 /nfs/dbraw/zinc/03/46/40/192034640.db2.gz YZJKZGBOCDQZQS-NSHDSACASA-N 1 1 261.325 2.657 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594955584 349528570 /nfs/dbraw/zinc/52/85/70/349528570.db2.gz CHGMWSVIVHVUBZ-LBPRGKRZSA-N 1 1 295.358 2.696 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125130330 187170964 /nfs/dbraw/zinc/17/09/64/187170964.db2.gz WBGPPPBJIPQIAO-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c2ccncc21 ZINC000067905201 346827064 /nfs/dbraw/zinc/82/70/64/346827064.db2.gz IJZRUWGRZPYHMB-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595336549 349604677 /nfs/dbraw/zinc/60/46/77/349604677.db2.gz ZSZATROKOHKVHG-DTWKUNHWSA-N 1 1 253.302 2.512 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595331151 349603362 /nfs/dbraw/zinc/60/33/62/349603362.db2.gz NYVSXRMEHUYHGD-LLVKDONJSA-N 1 1 284.331 2.979 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595336548 349604411 /nfs/dbraw/zinc/60/44/11/349604411.db2.gz ZSZATROKOHKVHG-BDAKNGLRSA-N 1 1 253.302 2.512 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000595293802 349593428 /nfs/dbraw/zinc/59/34/28/349593428.db2.gz AWDMIXDGAKWDMK-LLVKDONJSA-N 1 1 294.326 2.735 20 5 CFBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000595297990 349596005 /nfs/dbraw/zinc/59/60/05/349596005.db2.gz MJNMHFPZKQSLEZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000595297990 349596007 /nfs/dbraw/zinc/59/60/07/349596007.db2.gz MJNMHFPZKQSLEZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413356 349619196 /nfs/dbraw/zinc/61/91/96/349619196.db2.gz ZOHIYKZPWYEKTI-SCZZXKLOSA-N 1 1 253.302 2.654 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424224 349621727 /nfs/dbraw/zinc/62/17/27/349621727.db2.gz PMRMGRRTQRKPLJ-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443188 349627873 /nfs/dbraw/zinc/62/78/73/349627873.db2.gz ZSJPNFHZTJPYKA-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470029 349636929 /nfs/dbraw/zinc/63/69/29/349636929.db2.gz ZHUUKKUJYNFEQO-SMDDNHRTSA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1noc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513390 349648564 /nfs/dbraw/zinc/64/85/64/349648564.db2.gz UYNILSIHXVSEAR-NWDGAFQWSA-N 1 1 297.355 2.573 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595522825 349650215 /nfs/dbraw/zinc/65/02/15/349650215.db2.gz OJJPOJXSWGKYPH-AWEZNQCLSA-N 1 1 295.358 2.648 20 5 CFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000595507802 349646072 /nfs/dbraw/zinc/64/60/72/349646072.db2.gz QYIXTZFJOAZEPR-CQSZACIVSA-N 1 1 295.408 2.574 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533766 349652968 /nfs/dbraw/zinc/65/29/68/349652968.db2.gz NQUCQNKRYQMZRV-UHFFFAOYSA-N 1 1 294.326 2.613 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536768 349653781 /nfs/dbraw/zinc/65/37/81/349653781.db2.gz VHJUYSQSJCNPED-CYBMUJFWSA-N 1 1 277.368 2.511 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595593747 349667690 /nfs/dbraw/zinc/66/76/90/349667690.db2.gz UITIILZPYPYSPE-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671859 349695615 /nfs/dbraw/zinc/69/56/15/349695615.db2.gz XAUIXNLWYGCFAW-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755811 349724157 /nfs/dbraw/zinc/72/41/57/349724157.db2.gz CYNODQCANAIEQZ-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755811 349724163 /nfs/dbraw/zinc/72/41/63/349724163.db2.gz CYNODQCANAIEQZ-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829444 349744803 /nfs/dbraw/zinc/74/48/03/349744803.db2.gz HXIKMQXSDSFWEC-MRVWCRGKSA-N 1 1 276.336 2.624 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755863 349725482 /nfs/dbraw/zinc/72/54/82/349725482.db2.gz DWYJOWYQYNRDQF-TYNCELHUSA-N 1 1 276.336 2.624 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760133 349726301 /nfs/dbraw/zinc/72/63/01/349726301.db2.gz SDRCWVWUFUAJOW-HEHGZKQESA-N 1 1 290.363 2.933 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595779501 349730880 /nfs/dbraw/zinc/73/08/80/349730880.db2.gz BCPDKFZUPBDWFH-OLZOCXBDSA-N 1 1 278.352 2.637 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595781408 349731986 /nfs/dbraw/zinc/73/19/86/349731986.db2.gz SBTUDFKBYLYNMJ-NEPJUHHUSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595876266 349760019 /nfs/dbraw/zinc/76/00/19/349760019.db2.gz RHPBLEWXZYNQII-YWPYICTPSA-N 1 1 278.352 2.606 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880779 349760689 /nfs/dbraw/zinc/76/06/89/349760689.db2.gz ZEKPIAAKMARTNX-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835777 349748558 /nfs/dbraw/zinc/74/85/58/349748558.db2.gz VGTWWKIRVGXKST-UPJWGTAASA-N 1 1 276.336 2.624 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2CC2CCC2)n1 ZINC000595869392 349758027 /nfs/dbraw/zinc/75/80/27/349758027.db2.gz ATTSDRAEQFPHRM-AWEZNQCLSA-N 1 1 292.383 2.836 20 5 CFBDMO CC1(CO)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000273893239 192351790 /nfs/dbraw/zinc/35/17/90/192351790.db2.gz VYYWRULKHKWRLA-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294979848 199281759 /nfs/dbraw/zinc/28/17/59/199281759.db2.gz GMBFYZFDHCZRGL-ZDUSSCGKSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596336673 349869238 /nfs/dbraw/zinc/86/92/38/349869238.db2.gz RLJLVPMAXSAQQW-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000413441181 530061176 /nfs/dbraw/zinc/06/11/76/530061176.db2.gz PMTDLOITKWCXLK-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO CCOCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127374703 187300265 /nfs/dbraw/zinc/30/02/65/187300265.db2.gz IXNITJNWWWYBAB-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030269457 346287547 /nfs/dbraw/zinc/28/75/47/346287547.db2.gz IOKPXBPAAKFWGI-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037153309 346327692 /nfs/dbraw/zinc/32/76/92/346327692.db2.gz IMZSCSCXUKNNMO-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051179906 346501203 /nfs/dbraw/zinc/50/12/03/346501203.db2.gz QNHAJDYVAARBOB-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053365373 346543720 /nfs/dbraw/zinc/54/37/20/346543720.db2.gz VAHXJTLBJJKYFC-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053363834 346543723 /nfs/dbraw/zinc/54/37/23/346543723.db2.gz LOULLXJBFISKCN-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000056494897 346609620 /nfs/dbraw/zinc/60/96/20/346609620.db2.gz HPXGJMIBYXJNMF-JTQLQIEISA-N 1 1 270.354 2.515 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000063618500 346705510 /nfs/dbraw/zinc/70/55/10/346705510.db2.gz UZGWLSGDPCQOPP-ZDUSSCGKSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063739830 346708915 /nfs/dbraw/zinc/70/89/15/346708915.db2.gz LORBSHVPMOWGTB-UHFFFAOYSA-N 1 1 277.368 2.905 20 5 CFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C1 ZINC000066812333 346780699 /nfs/dbraw/zinc/78/06/99/346780699.db2.gz UMNIOIZFMQJXRX-LBPRGKRZSA-N 1 1 292.383 2.912 20 5 CFBDMO CC(C)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535672 346735742 /nfs/dbraw/zinc/73/57/42/346735742.db2.gz ZNINPAJVQVYBKM-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891045 347106165 /nfs/dbraw/zinc/10/61/65/347106165.db2.gz QZZOYSVZPJXABE-PHIMTYICSA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076795490 347154264 /nfs/dbraw/zinc/15/42/64/347154264.db2.gz ZYLCNPYAHDQQMX-ZDUSSCGKSA-N 1 1 292.383 2.914 20 5 CFBDMO COc1cc(NCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000078333496 347242062 /nfs/dbraw/zinc/24/20/62/347242062.db2.gz MZTBOLVUZMNMMQ-UHFFFAOYSA-N 1 1 290.323 2.611 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000078562504 347261785 /nfs/dbraw/zinc/26/17/85/347261785.db2.gz RZMMRDLFSMSCOV-LBPRGKRZSA-N 1 1 295.358 2.902 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078583626 347263657 /nfs/dbraw/zinc/26/36/57/347263657.db2.gz JGLHRQDYEZPPOT-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cnc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078630542 347266305 /nfs/dbraw/zinc/26/63/05/347266305.db2.gz AEFYKAYCFACEIR-STQMWFEESA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656999 347637898 /nfs/dbraw/zinc/63/78/98/347637898.db2.gz LYIJZQHYKFYEJH-OCCSQVGLSA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C)c1 ZINC000092669153 347639148 /nfs/dbraw/zinc/63/91/48/347639148.db2.gz OVLKYSWWXUBTKX-HIFRSBDPSA-N 1 1 289.379 2.966 20 5 CFBDMO COc1cccc(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000134909080 347902320 /nfs/dbraw/zinc/90/23/20/347902320.db2.gz LNHSVBHHDIYDEE-GFCCVEGCSA-N 1 1 293.367 2.746 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000173251891 348107410 /nfs/dbraw/zinc/10/74/10/348107410.db2.gz DMSOZMYWJXHWLZ-NSHDSACASA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000236010706 348230997 /nfs/dbraw/zinc/23/09/97/348230997.db2.gz OBQYPEPSVPIMLW-LLVKDONJSA-N 1 1 261.325 2.552 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305850072 348382555 /nfs/dbraw/zinc/38/25/55/348382555.db2.gz UQEXRALXYDOHME-XHDPSFHLSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075462 233013597 /nfs/dbraw/zinc/01/35/97/233013597.db2.gz RXPJCAWYAYMJBP-WDEREUQCSA-N 1 1 296.346 2.661 20 5 CFBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000312796976 348420224 /nfs/dbraw/zinc/42/02/24/348420224.db2.gz QJGLFCTVMMEYAY-WDEREUQCSA-N 1 1 296.758 2.682 20 5 CFBDMO CCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389799 348440894 /nfs/dbraw/zinc/44/08/94/348440894.db2.gz XNROHDRYFHBZBL-OCCSQVGLSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389799 348440896 /nfs/dbraw/zinc/44/08/96/348440896.db2.gz XNROHDRYFHBZBL-OCCSQVGLSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000314128296 348424593 /nfs/dbraw/zinc/42/45/93/348424593.db2.gz ICJWIBSLNJVYEM-GFCCVEGCSA-N 1 1 295.358 2.554 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)n1 ZINC000413346697 233057418 /nfs/dbraw/zinc/05/74/18/233057418.db2.gz IRQVNSSCOHTLIM-UHFFFAOYSA-N 1 1 292.383 2.893 20 5 CFBDMO CCOC1CC(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000586766370 348749858 /nfs/dbraw/zinc/74/98/58/348749858.db2.gz NWWIKUNLCSOIAS-UHFFFAOYSA-N 1 1 290.363 2.768 20 5 CFBDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC(C)C ZINC000589494952 348835752 /nfs/dbraw/zinc/83/57/52/348835752.db2.gz CIYXABSIZNASSS-UHFFFAOYSA-N 1 1 294.351 2.859 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000589584242 348839304 /nfs/dbraw/zinc/83/93/04/348839304.db2.gz LGZDQZFLODXPQV-IUCAKERBSA-N 1 1 267.354 2.693 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000413450526 233075347 /nfs/dbraw/zinc/07/53/47/233075347.db2.gz YHUZRUPHLZATOJ-ZDUSSCGKSA-N 1 1 292.383 2.750 20 5 CFBDMO CC(F)(F)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000590260912 348887991 /nfs/dbraw/zinc/88/79/91/348887991.db2.gz WWTSCPPCPIZZHR-ZJUUUORDSA-N 1 1 288.298 2.520 20 5 CFBDMO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703682 348931128 /nfs/dbraw/zinc/93/11/28/348931128.db2.gz NZLIJJWLDQNYRC-SNVBAGLBSA-N 1 1 281.381 2.577 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590972353 348975681 /nfs/dbraw/zinc/97/56/81/348975681.db2.gz KTSVPHPGRBLWCQ-HIFRSBDPSA-N 1 1 276.336 2.514 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000590954529 348971136 /nfs/dbraw/zinc/97/11/36/348971136.db2.gz FFMZKHATVQKEHJ-UHFFFAOYSA-N 1 1 283.331 2.768 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000592134189 349088678 /nfs/dbraw/zinc/08/86/78/349088678.db2.gz JJULIIMSSDYLJQ-GOEBONIOSA-N 1 1 290.363 2.986 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC2(C)C)c1 ZINC000593012586 349187017 /nfs/dbraw/zinc/18/70/17/349187017.db2.gz ZVYCRNHGWLCRRO-UHFFFAOYSA-N 1 1 292.335 2.756 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593117128 349213182 /nfs/dbraw/zinc/21/31/82/349213182.db2.gz PARXLLXCVFTVHE-ZDUSSCGKSA-N 1 1 298.289 2.835 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593056948 349195910 /nfs/dbraw/zinc/19/59/10/349195910.db2.gz BUZMWZWPUQPZMG-DZGCQCFKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593056948 349195911 /nfs/dbraw/zinc/19/59/11/349195911.db2.gz BUZMWZWPUQPZMG-DZGCQCFKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593056109 349196470 /nfs/dbraw/zinc/19/64/70/349196470.db2.gz YCNMCYMCIBJEIH-HNNXBMFYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593063851 349199279 /nfs/dbraw/zinc/19/92/79/349199279.db2.gz PLKWTEWSTYPDEK-IUODEOHRSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000597257007 350074042 /nfs/dbraw/zinc/07/40/42/350074042.db2.gz BSKIZOZQVZPEQU-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000597257007 350074043 /nfs/dbraw/zinc/07/40/43/350074043.db2.gz BSKIZOZQVZPEQU-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000597206754 350055253 /nfs/dbraw/zinc/05/52/53/350055253.db2.gz VKJBQAHFRPVTJR-SSXGVJDWSA-N 1 1 290.363 2.557 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC3(COC3)C2)cc1[N+](=O)[O-] ZINC000597230094 350064929 /nfs/dbraw/zinc/06/49/29/350064929.db2.gz PKQKHIKLMHUADG-UHFFFAOYSA-N 1 1 290.363 2.941 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104687449 186013323 /nfs/dbraw/zinc/01/33/23/186013323.db2.gz KWTCYMFLKCAATL-NSHDSACASA-N 1 1 279.340 2.572 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000598465677 350272341 /nfs/dbraw/zinc/27/23/41/350272341.db2.gz HZKAGWGASXMPTJ-UHFFFAOYSA-N 1 1 299.396 2.507 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC3CC3)C2)c(F)c1 ZINC000598678786 350309016 /nfs/dbraw/zinc/30/90/16/350309016.db2.gz UJHFGPDIOYMXQS-UHFFFAOYSA-N 1 1 264.300 2.966 20 5 CFBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598678431 350309217 /nfs/dbraw/zinc/30/92/17/350309217.db2.gz YBIQWMLHXYQHHZ-CWNOIDMWSA-N 1 1 290.363 2.558 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000599125880 350380846 /nfs/dbraw/zinc/38/08/46/350380846.db2.gz FBDFPDRNQGLNQV-CQSZACIVSA-N 1 1 290.367 2.809 20 5 CFBDMO CCO[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599403610 350431672 /nfs/dbraw/zinc/43/16/72/350431672.db2.gz DURJDYQLMFDQAN-MRXNPFEDSA-N 1 1 292.379 2.884 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600190318 350535814 /nfs/dbraw/zinc/53/58/14/350535814.db2.gz ICXPECAQVSGYQV-JQFQDSKBSA-N 1 1 258.321 2.950 20 5 CFBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600190339 350535870 /nfs/dbraw/zinc/53/58/70/350535870.db2.gz IGYKHAAQSORDKV-DTORHVGOSA-N 1 1 284.262 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600190339 350535871 /nfs/dbraw/zinc/53/58/71/350535871.db2.gz IGYKHAAQSORDKV-DTORHVGOSA-N 1 1 284.262 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(Cn3cc[nH+]c3C3CC3)nc2c1 ZINC000600610025 350579844 /nfs/dbraw/zinc/57/98/44/350579844.db2.gz CRNKODXTGIIVHF-UHFFFAOYSA-N 1 1 284.275 2.858 20 5 CFBDMO COC[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601120687 350674065 /nfs/dbraw/zinc/67/40/65/350674065.db2.gz KBOPUIMSGSRIKR-NSHDSACASA-N 1 1 287.319 2.616 20 5 CFBDMO C[C@@H]([NH3+])C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000110651296 186311566 /nfs/dbraw/zinc/31/15/66/186311566.db2.gz PMKKFJVGJOAIAG-SNVBAGLBSA-N 1 1 297.786 2.807 20 5 CFBDMO CO[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601110688 350670657 /nfs/dbraw/zinc/67/06/57/350670657.db2.gz KLPAJJOGIHEYLT-LBPRGKRZSA-N 1 1 287.319 2.758 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCSC3)c2c1 ZINC000601156694 350684612 /nfs/dbraw/zinc/68/46/12/350684612.db2.gz WUQHFGFTUDYGMS-SNVBAGLBSA-N 1 1 289.360 2.730 20 5 CFBDMO C[C@@H]1SCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601184406 350691423 /nfs/dbraw/zinc/69/14/23/350691423.db2.gz KVTYAPGPMOWRKL-JOYOIKCWSA-N 1 1 289.360 2.871 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601189601 350692120 /nfs/dbraw/zinc/69/21/20/350692120.db2.gz STOCRDYOAZCFJB-LLVKDONJSA-N 1 1 298.774 2.564 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601189602 350692231 /nfs/dbraw/zinc/69/22/31/350692231.db2.gz STOCRDYOAZCFJB-NSHDSACASA-N 1 1 298.774 2.564 20 5 CFBDMO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000601203016 350696138 /nfs/dbraw/zinc/69/61/38/350696138.db2.gz LPZMFPGNTHIYFZ-GFCCVEGCSA-N 1 1 294.330 2.558 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254536 186379423 /nfs/dbraw/zinc/37/94/23/186379423.db2.gz GYKAQJQMJRZIKP-GFCCVEGCSA-N 1 1 293.367 2.901 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254388 186379669 /nfs/dbraw/zinc/37/96/69/186379669.db2.gz BIBJHLFITMZKTA-NSHDSACASA-N 1 1 279.340 2.511 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)C1CCCCC1 ZINC000111303862 186393768 /nfs/dbraw/zinc/39/37/68/186393768.db2.gz KKXIGJBTWPRLQP-UHFFFAOYSA-N 1 1 296.342 2.861 20 5 CFBDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602482028 350901243 /nfs/dbraw/zinc/90/12/43/350901243.db2.gz FGFOFNFIEXVNNB-CYBMUJFWSA-N 1 1 280.372 2.729 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCO1)Cc1ccccc1[N+](=O)[O-] ZINC000602440734 350883646 /nfs/dbraw/zinc/88/36/46/350883646.db2.gz SHISCTOUKPNHEZ-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]3c3ccco3)nc2c1 ZINC000602695484 350983648 /nfs/dbraw/zinc/98/36/48/350983648.db2.gz WVMONJCUDQRRNS-GHMZBOCLSA-N 1 1 299.286 2.975 20 5 CFBDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602707856 350990734 /nfs/dbraw/zinc/99/07/34/350990734.db2.gz JYARJWDTFFNAHJ-CYBMUJFWSA-N 1 1 292.383 2.731 20 5 CFBDMO CCC1(CC)CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602711908 350993976 /nfs/dbraw/zinc/99/39/76/350993976.db2.gz RTELGFIOBSIQMX-UHFFFAOYSA-N 1 1 280.372 2.731 20 5 CFBDMO COCC1(C2CC2)C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602731477 351003831 /nfs/dbraw/zinc/00/38/31/351003831.db2.gz KJZVPYUELTZJKA-UHFFFAOYSA-N 1 1 290.363 2.762 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000602777978 351021381 /nfs/dbraw/zinc/02/13/81/351021381.db2.gz AGOFVEDTMYCXTP-NWDGAFQWSA-N 1 1 280.372 2.610 20 5 CFBDMO CC[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602785849 351025201 /nfs/dbraw/zinc/02/52/01/351025201.db2.gz YJWBHOMURRWCTM-ZDUSSCGKSA-N 1 1 280.372 2.612 20 5 CFBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846938 351043862 /nfs/dbraw/zinc/04/38/62/351043862.db2.gz UEUSICZIYJBJST-QWHCGFSZSA-N 1 1 294.399 2.975 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602879905 351056100 /nfs/dbraw/zinc/05/61/00/351056100.db2.gz HHAYIRUAKILFTR-CQSZACIVSA-N 1 1 272.308 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602879905 351056103 /nfs/dbraw/zinc/05/61/03/351056103.db2.gz HHAYIRUAKILFTR-CQSZACIVSA-N 1 1 272.308 2.655 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431708 351163080 /nfs/dbraw/zinc/16/30/80/351163080.db2.gz GJNPGBZDGTWTRA-GDLCADMTSA-N 1 1 277.368 2.680 20 5 CFBDMO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000603857953 351187519 /nfs/dbraw/zinc/18/75/19/351187519.db2.gz QLHVCHSHSLHVSN-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000604483508 351214495 /nfs/dbraw/zinc/21/44/95/351214495.db2.gz YZMXXUPPGRATAG-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000369348852 282753602 /nfs/dbraw/zinc/75/36/02/282753602.db2.gz KKSFDLISROWKHF-GFCCVEGCSA-N 1 1 286.335 2.712 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610133298 351535835 /nfs/dbraw/zinc/53/58/35/351535835.db2.gz BOSMICVGOUJZAO-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671707 351515044 /nfs/dbraw/zinc/51/50/44/351515044.db2.gz JWBMMWGINVBJDC-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671707 351515046 /nfs/dbraw/zinc/51/50/46/351515046.db2.gz JWBMMWGINVBJDC-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO COC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610604969 351585780 /nfs/dbraw/zinc/58/57/80/351585780.db2.gz HXRNITBLMMJAAI-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610604969 351585785 /nfs/dbraw/zinc/58/57/85/351585785.db2.gz HXRNITBLMMJAAI-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(C)COC1 ZINC000610367471 351559807 /nfs/dbraw/zinc/55/98/07/351559807.db2.gz POBMYBXTWBPQDS-LLVKDONJSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCOC1)C1CC1 ZINC000610995238 351632613 /nfs/dbraw/zinc/63/26/13/351632613.db2.gz RNUSTHPTJLTRBL-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000611080225 351638371 /nfs/dbraw/zinc/63/83/71/351638371.db2.gz LQHRTQZRAJVNGH-UHFFFAOYSA-N 1 1 250.273 2.529 20 5 CFBDMO CC[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092366 351639936 /nfs/dbraw/zinc/63/99/36/351639936.db2.gz RHHNIVQYZHDWHU-OLZOCXBDSA-N 1 1 277.368 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)c(F)c1 ZINC000611179792 351648233 /nfs/dbraw/zinc/64/82/33/351648233.db2.gz JXRZCSILDUPUSF-VIFPVBQESA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)F)C2)c(F)c1 ZINC000611179792 351648234 /nfs/dbraw/zinc/64/82/34/351648234.db2.gz JXRZCSILDUPUSF-VIFPVBQESA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180464 351648477 /nfs/dbraw/zinc/64/84/77/351648477.db2.gz XXJYBUMKXULJLS-JTQLQIEISA-N 1 1 256.252 2.682 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOC[C@H]1C ZINC000610991066 351628968 /nfs/dbraw/zinc/62/89/68/351628968.db2.gz ZQISHFXGPXIORO-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOC[C@H]1C ZINC000610991066 351628971 /nfs/dbraw/zinc/62/89/71/351628971.db2.gz ZQISHFXGPXIORO-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000611516608 351702578 /nfs/dbraw/zinc/70/25/78/351702578.db2.gz JSAWMRCLEJQOKI-NSHDSACASA-N 1 1 274.324 2.819 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000611516608 351702581 /nfs/dbraw/zinc/70/25/81/351702581.db2.gz JSAWMRCLEJQOKI-NSHDSACASA-N 1 1 274.324 2.819 20 5 CFBDMO COc1cc(C[N@H+]2CCCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000611516488 351702838 /nfs/dbraw/zinc/70/28/38/351702838.db2.gz YNMLZNBKYAHGEA-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611298468 351665121 /nfs/dbraw/zinc/66/51/21/351665121.db2.gz VGSQHWTXCOODAX-RYUDHWBXSA-N 1 1 293.367 2.522 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000611585250 351712037 /nfs/dbraw/zinc/71/20/37/351712037.db2.gz GRUWXZCTIILCDS-LBPRGKRZSA-N 1 1 288.351 2.793 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616865 351715620 /nfs/dbraw/zinc/71/56/20/351715620.db2.gz QJUSWBPMXHATJE-CYBMUJFWSA-N 1 1 292.383 2.750 20 5 CFBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000611943771 351754559 /nfs/dbraw/zinc/75/45/59/351754559.db2.gz WHKVXHKVMXQGMP-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612576886 351837641 /nfs/dbraw/zinc/83/76/41/351837641.db2.gz UVRKIQLVSGMWSX-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000123331671 187085189 /nfs/dbraw/zinc/08/51/89/187085189.db2.gz CLGMEPUJPTVQCY-TXEJJXNPSA-N 1 1 264.325 2.846 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123342420 187085876 /nfs/dbraw/zinc/08/58/76/187085876.db2.gz QDUKZFUGKQXTJS-WFASDCNBSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342420 187085877 /nfs/dbraw/zinc/08/58/77/187085877.db2.gz QDUKZFUGKQXTJS-WFASDCNBSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342420 187085878 /nfs/dbraw/zinc/08/58/78/187085878.db2.gz QDUKZFUGKQXTJS-WFASDCNBSA-N 1 1 277.368 2.509 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCCO)C1CC1 ZINC000615835217 352247421 /nfs/dbraw/zinc/24/74/21/352247421.db2.gz BQLCACJDNGTJCU-JLHYYAGUSA-N 1 1 290.363 2.845 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000292099445 198162663 /nfs/dbraw/zinc/16/26/63/198162663.db2.gz HSERZQWSOXWMNF-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOC(C)(C)C ZINC000619531664 353033692 /nfs/dbraw/zinc/03/36/92/353033692.db2.gz LWGOCUSORKAXHA-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOC(C)(C)C ZINC000619531664 353033695 /nfs/dbraw/zinc/03/36/95/353033695.db2.gz LWGOCUSORKAXHA-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO Cc1noc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785269 353066768 /nfs/dbraw/zinc/06/67/68/353066768.db2.gz YGQIMVULPFNSAA-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1noc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785269 353066770 /nfs/dbraw/zinc/06/67/70/353066770.db2.gz YGQIMVULPFNSAA-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1c([C@@H](C)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000152612196 188032306 /nfs/dbraw/zinc/03/23/06/188032306.db2.gz YGPXDBTZYJSMIT-GFCCVEGCSA-N 1 1 279.384 2.894 20 5 CFBDMO CC[N@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877563 188233003 /nfs/dbraw/zinc/23/30/03/188233003.db2.gz PQTOHXDCOVFYFH-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877563 188233005 /nfs/dbraw/zinc/23/30/05/188233005.db2.gz PQTOHXDCOVFYFH-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000157288054 188307848 /nfs/dbraw/zinc/30/78/48/188307848.db2.gz RDFLWTJKRVXUAY-UHFFFAOYSA-N 1 1 262.309 2.538 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1ccccc1[N+](=O)[O-] ZINC000157917912 188346679 /nfs/dbraw/zinc/34/66/79/188346679.db2.gz COMJKVORCXJZSO-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098372 283099865 /nfs/dbraw/zinc/09/98/65/283099865.db2.gz PXXXONTYMXEYDZ-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO CC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295795035 199666856 /nfs/dbraw/zinc/66/68/56/199666856.db2.gz BVSJSSXFQHADCX-RISCZKNCSA-N 1 1 288.351 2.806 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422918356 237343729 /nfs/dbraw/zinc/34/37/29/237343729.db2.gz HDMGAEPAOULAQY-SRVKXCTJSA-N 1 1 265.357 2.680 20 5 CFBDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000179662774 189211306 /nfs/dbraw/zinc/21/13/06/189211306.db2.gz QPBXKAAHSXKRHO-NSHDSACASA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000179662774 189211307 /nfs/dbraw/zinc/21/13/07/189211307.db2.gz QPBXKAAHSXKRHO-NSHDSACASA-N 1 1 266.366 2.841 20 5 CFBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000179845389 189223597 /nfs/dbraw/zinc/22/35/97/189223597.db2.gz APQYSJQBGNZWKS-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301401596 200997754 /nfs/dbraw/zinc/99/77/54/200997754.db2.gz CIXZAPZFEUHBMD-STQMWFEESA-N 1 1 277.368 2.761 20 5 CFBDMO Cc1cnc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301425068 201004033 /nfs/dbraw/zinc/00/40/33/201004033.db2.gz GJRPAACPZZBCIX-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301442040 201009195 /nfs/dbraw/zinc/00/91/95/201009195.db2.gz PDOJWFNMXPLAGO-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1nc(NCc2cccc([N+](=O)[O-])c2)c(C)c(C)[nH+]1 ZINC000301700200 201146786 /nfs/dbraw/zinc/14/67/86/201146786.db2.gz SBHVOCQSMUPAEM-UHFFFAOYSA-N 1 1 272.308 2.922 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000183757784 189367456 /nfs/dbraw/zinc/36/74/56/189367456.db2.gz OVZDAUVPHKMOSG-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CC1=CC[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302130509 201354781 /nfs/dbraw/zinc/35/47/81/201354781.db2.gz BBZUVUMKGTYXRX-UHFFFAOYSA-N 1 1 296.758 2.707 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435433404 240313938 /nfs/dbraw/zinc/31/39/38/240313938.db2.gz NKNYRDBJOKGDFJ-PKYBCLHXSA-N 1 1 289.379 2.682 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275433302 193035739 /nfs/dbraw/zinc/03/57/39/193035739.db2.gz JIYWMOWWESPSBL-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000275826048 193140395 /nfs/dbraw/zinc/14/03/95/193140395.db2.gz KRWJTQZMYWPZFE-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000275826048 193140397 /nfs/dbraw/zinc/14/03/97/193140397.db2.gz KRWJTQZMYWPZFE-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659896 241160311 /nfs/dbraw/zinc/16/03/11/241160311.db2.gz IHRGYYJGAXGLBS-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444770810 241190951 /nfs/dbraw/zinc/19/09/51/241190951.db2.gz FZCYSMSGWAEBNT-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000449590765 242052787 /nfs/dbraw/zinc/05/27/87/242052787.db2.gz VSRGTGWWPJKIOQ-NSHDSACASA-N 1 1 286.397 2.885 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449565963 242036943 /nfs/dbraw/zinc/03/69/43/242036943.db2.gz LWVSVTHVCCZBNG-AWEZNQCLSA-N 1 1 277.368 2.511 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNCc1csc([N+](=O)[O-])c1 ZINC000449782033 242159122 /nfs/dbraw/zinc/15/91/22/242159122.db2.gz KBKOYLFRKMHJSY-UHFFFAOYSA-N 1 1 283.397 2.620 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449791803 242167512 /nfs/dbraw/zinc/16/75/12/242167512.db2.gz QIEWJSSNHQOTSS-UMSKNGNOSA-N 1 1 290.363 2.702 20 5 CFBDMO CC[C@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453061250 243383908 /nfs/dbraw/zinc/38/39/08/243383908.db2.gz SLEJRLBDKJXHQY-SMDDNHRTSA-N 1 1 288.351 2.806 20 5 CFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023991738 372268635 /nfs/dbraw/zinc/26/86/35/372268635.db2.gz HUQPEEHUBVJDCR-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO CC[C@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010515 372627862 /nfs/dbraw/zinc/62/78/62/372627862.db2.gz BRTGIPHQOCSGHL-AWEZNQCLSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[N@H+]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037644323 372682526 /nfs/dbraw/zinc/68/25/26/372682526.db2.gz SCNIPCIXVAKVMT-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO COc1ncccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037650520 372686050 /nfs/dbraw/zinc/68/60/50/372686050.db2.gz GKHHYPAKNASQPD-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000048336930 373165400 /nfs/dbraw/zinc/16/54/00/373165400.db2.gz ZIWATRNRFCKESX-UKRRQHHQSA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000048372037 373172524 /nfs/dbraw/zinc/17/25/24/373172524.db2.gz MUPLBBYEQLSVHY-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]2CCCO)cccc1[N+](=O)[O-] ZINC000052762458 373451099 /nfs/dbraw/zinc/45/10/99/373451099.db2.gz OSTMOYPDUMUCJG-AWEZNQCLSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351249 373759067 /nfs/dbraw/zinc/75/90/67/373759067.db2.gz YTVJSEKLRVCBNY-ZOWXZIJZSA-N 1 1 278.352 2.891 20 5 CFBDMO Cc1ncsc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000066563825 373939381 /nfs/dbraw/zinc/93/93/81/373939381.db2.gz AOQOUQVBRPFCHX-UHFFFAOYSA-N 1 1 277.349 2.992 20 5 CFBDMO Cc1ncsc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000066563825 373939386 /nfs/dbraw/zinc/93/93/86/373939386.db2.gz AOQOUQVBRPFCHX-UHFFFAOYSA-N 1 1 277.349 2.992 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072601235 374268395 /nfs/dbraw/zinc/26/83/95/374268395.db2.gz HXQLGIJAXCACJP-LLVKDONJSA-N 1 1 279.340 2.572 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072601534 374268963 /nfs/dbraw/zinc/26/89/63/374268963.db2.gz KCMUEFPINNAPAD-SNVBAGLBSA-N 1 1 290.323 2.875 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072194 374529254 /nfs/dbraw/zinc/52/92/54/374529254.db2.gz VKOJAVVFFDXLHQ-ZDUSSCGKSA-N 1 1 266.366 2.922 20 5 CFBDMO COc1cc(C[N@@H+](C)CCC2CC2)c([N+](=O)[O-])cc1OC ZINC000092067131 375085646 /nfs/dbraw/zinc/08/56/46/375085646.db2.gz JPEUZVJKEAPYEX-UHFFFAOYSA-N 1 1 294.351 2.844 20 5 CFBDMO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672421 375137991 /nfs/dbraw/zinc/13/79/91/375137991.db2.gz FQADMQIJJVVPTD-AAEUAGOBSA-N 1 1 275.352 2.940 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451785160 383706963 /nfs/dbraw/zinc/70/69/63/383706963.db2.gz VBWVKUQBGPIWPP-NSHDSACASA-N 1 1 298.358 2.963 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451785160 383706967 /nfs/dbraw/zinc/70/69/67/383706967.db2.gz VBWVKUQBGPIWPP-NSHDSACASA-N 1 1 298.358 2.963 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1CCO ZINC000093097787 375187683 /nfs/dbraw/zinc/18/76/83/375187683.db2.gz XGAMPUJCTYCPBJ-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000093097787 375187691 /nfs/dbraw/zinc/18/76/91/375187691.db2.gz XGAMPUJCTYCPBJ-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCC1CC1 ZINC000093818495 375315506 /nfs/dbraw/zinc/31/55/06/375315506.db2.gz YWOILTZENZUOEM-GQCTYLIASA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820193 375316812 /nfs/dbraw/zinc/31/68/12/375316812.db2.gz UQBCBGBIJVHTTQ-HNNXBMFYSA-N 1 1 276.336 2.516 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCCO1 ZINC000094774502 375377693 /nfs/dbraw/zinc/37/76/93/375377693.db2.gz BAJODGFFAYFUBR-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774148 375377812 /nfs/dbraw/zinc/37/78/12/375377812.db2.gz SRHUTQJZRMMGGE-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094801046 375380937 /nfs/dbraw/zinc/38/09/37/375380937.db2.gz RVRJXFDDYXPDOW-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505612559 247144716 /nfs/dbraw/zinc/14/47/16/247144716.db2.gz SLFXNUPLZHIHEV-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO Cc1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000514176835 247228716 /nfs/dbraw/zinc/22/87/16/247228716.db2.gz WOOOGNRSSWVIFC-RISCZKNCSA-N 1 1 275.352 2.798 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)C ZINC000263786740 190078300 /nfs/dbraw/zinc/07/83/00/190078300.db2.gz MRLWTIUSNDZMOT-UHFFFAOYSA-N 1 1 294.351 2.939 20 5 CFBDMO CCOC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263808072 190079929 /nfs/dbraw/zinc/07/99/29/190079929.db2.gz QBDPUTIUQNYBLK-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000119853123 376488612 /nfs/dbraw/zinc/48/86/12/376488612.db2.gz HFTZVRKNKQBRGQ-ZDUSSCGKSA-N 1 1 266.366 2.575 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056921 377011896 /nfs/dbraw/zinc/01/18/96/377011896.db2.gz KSDSFXWBIIFGHM-WDEREUQCSA-N 1 1 298.770 2.984 20 5 CFBDMO COC1CCC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000265263674 190170376 /nfs/dbraw/zinc/17/03/76/190170376.db2.gz YWATYPPPXOZAFM-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CC1 ZINC000135302807 378113807 /nfs/dbraw/zinc/11/38/07/378113807.db2.gz DJCKNARZXYEWBS-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC1 ZINC000135302420 378114228 /nfs/dbraw/zinc/11/42/28/378114228.db2.gz XTRGXENQLHSDRF-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1c(C[N@H+]2[C@H](C)CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000136175951 378185907 /nfs/dbraw/zinc/18/59/07/378185907.db2.gz JLPKSIVBWYKZCH-BXUZGUMPSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)[NH+](C)C ZINC000152611789 378432425 /nfs/dbraw/zinc/43/24/25/378432425.db2.gz JBFUMIJAEHALKL-GFCCVEGCSA-N 1 1 279.384 2.894 20 5 CFBDMO CSCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153172834 378478693 /nfs/dbraw/zinc/47/86/93/378478693.db2.gz IIAJYKOGVOUOLQ-UHFFFAOYSA-N 1 1 266.366 2.706 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330498926 378571567 /nfs/dbraw/zinc/57/15/67/378571567.db2.gz FDSBUUNIOJZZJY-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000330524578 378577315 /nfs/dbraw/zinc/57/73/15/378577315.db2.gz POBCGHLMAQQDPR-NSHDSACASA-N 1 1 281.381 2.956 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000331122060 378637572 /nfs/dbraw/zinc/63/75/72/378637572.db2.gz PCTPYDFQRPFZLO-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000331122060 378637576 /nfs/dbraw/zinc/63/75/76/378637576.db2.gz PCTPYDFQRPFZLO-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)C1 ZINC000330580889 378588152 /nfs/dbraw/zinc/58/81/52/378588152.db2.gz UEABIPSASAZYOH-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331302132 378666407 /nfs/dbraw/zinc/66/64/07/378666407.db2.gz RVBWAXYGJFNXIE-OAHLLOKOSA-N 1 1 278.352 2.722 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331302130 378666809 /nfs/dbraw/zinc/66/68/09/378666809.db2.gz RVBWAXYGJFNXIE-HNNXBMFYSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000331343977 378675518 /nfs/dbraw/zinc/67/55/18/378675518.db2.gz PFDFAIYONBVJPN-LBPRGKRZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194871 378692364 /nfs/dbraw/zinc/69/23/64/378692364.db2.gz JGWASPWJAHRFJS-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000331216751 378652241 /nfs/dbraw/zinc/65/22/41/378652241.db2.gz FFHCDNISRZBEIU-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332246802 378740075 /nfs/dbraw/zinc/74/00/75/378740075.db2.gz QRDIZEPBZPTIEQ-UJDVCPFMSA-N 1 1 290.363 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451904116 383735811 /nfs/dbraw/zinc/73/58/11/383735811.db2.gz QONSQFZWKPIRLQ-MRXNPFEDSA-N 1 1 290.363 2.640 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000266526965 190264188 /nfs/dbraw/zinc/26/41/88/190264188.db2.gz KSKIWWPYMITTFL-UHFFFAOYSA-N 1 1 282.340 2.570 20 5 CFBDMO CSCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000266607050 190270753 /nfs/dbraw/zinc/27/07/53/190270753.db2.gz BCNWKLWVAIWLFE-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000171690720 379374002 /nfs/dbraw/zinc/37/40/02/379374002.db2.gz FVJAWZQCRYCVDY-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000171690720 379374007 /nfs/dbraw/zinc/37/40/07/379374007.db2.gz FVJAWZQCRYCVDY-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(F)c1 ZINC000267009420 190296869 /nfs/dbraw/zinc/29/68/69/190296869.db2.gz HBJUPYAQRKCFQC-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267010997 190296909 /nfs/dbraw/zinc/29/69/09/190296909.db2.gz MKWVGEHULLKFIK-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375419 379731989 /nfs/dbraw/zinc/73/19/89/379731989.db2.gz FEQSZRBXIFOTRQ-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375419 379731991 /nfs/dbraw/zinc/73/19/91/379731991.db2.gz FEQSZRBXIFOTRQ-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO CCn1ccnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000267284495 190318496 /nfs/dbraw/zinc/31/84/96/190318496.db2.gz PQRILWKGBUEMFX-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174866127 379953092 /nfs/dbraw/zinc/95/30/92/379953092.db2.gz BADYLNFAULLCNJ-CYBMUJFWSA-N 1 1 294.399 2.940 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113775 190377663 /nfs/dbraw/zinc/37/76/63/190377663.db2.gz FSTRRLPIXQCLPL-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113775 190377664 /nfs/dbraw/zinc/37/76/64/190377664.db2.gz FSTRRLPIXQCLPL-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000279275447 194363617 /nfs/dbraw/zinc/36/36/17/194363617.db2.gz JPRXZCDDKNVRQJ-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411943008 381065105 /nfs/dbraw/zinc/06/51/05/381065105.db2.gz MKZKDDTZOUAHFL-SJORKVTESA-N 1 1 298.342 2.903 20 5 CFBDMO Cc1cn2cc(Nc3ncccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000354090767 381072961 /nfs/dbraw/zinc/07/29/61/381072961.db2.gz DGTQVVYEKIBZTF-UHFFFAOYSA-N 1 1 269.264 2.690 20 5 CFBDMO CO[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000182252009 381042389 /nfs/dbraw/zinc/04/23/89/381042389.db2.gz HAKLCOVKRQWMTK-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000182252009 381042393 /nfs/dbraw/zinc/04/23/93/381042393.db2.gz HAKLCOVKRQWMTK-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CCC[N@@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347376174 381108237 /nfs/dbraw/zinc/10/82/37/381108237.db2.gz ZRTKMEKYICWHBV-JLHYYAGUSA-N 1 1 278.352 2.702 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cc[nH]n1 ZINC000347374968 381108624 /nfs/dbraw/zinc/10/86/24/381108624.db2.gz YLTBKEGSTVVWOR-WQLSENKSSA-N 1 1 286.335 2.853 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cc[nH]n1 ZINC000347374968 381108634 /nfs/dbraw/zinc/10/86/34/381108634.db2.gz YLTBKEGSTVVWOR-WQLSENKSSA-N 1 1 286.335 2.853 20 5 CFBDMO CCC[C@]1(CO)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000288682852 197144173 /nfs/dbraw/zinc/14/41/73/197144173.db2.gz CTINCBGNMBPAMB-ZDUSSCGKSA-N 1 1 284.381 2.641 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000288682852 197144175 /nfs/dbraw/zinc/14/41/75/197144175.db2.gz CTINCBGNMBPAMB-ZDUSSCGKSA-N 1 1 284.381 2.641 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300389 381251713 /nfs/dbraw/zinc/25/17/13/381251713.db2.gz ZNNUWSQFSWRITI-WFASDCNBSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300389 381251721 /nfs/dbraw/zinc/25/17/21/381251721.db2.gz ZNNUWSQFSWRITI-WFASDCNBSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](C(C)C)CC2)n1 ZINC000359081508 381254526 /nfs/dbraw/zinc/25/45/26/381254526.db2.gz JOBJNIJISGNBLY-UHFFFAOYSA-N 1 1 292.383 2.527 20 5 CFBDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616371 381257241 /nfs/dbraw/zinc/25/72/41/381257241.db2.gz LSZODEWKAJQYEB-CHWSQXEVSA-N 1 1 294.399 2.938 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000183370230 381263244 /nfs/dbraw/zinc/26/32/44/381263244.db2.gz PAGHPZRGOMQJRM-OKILXGFUSA-N 1 1 260.337 2.991 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cs1 ZINC000369467010 381267367 /nfs/dbraw/zinc/26/73/67/381267367.db2.gz KXPXAAMQAGASJI-RYUDHWBXSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cs1 ZINC000369467010 381267380 /nfs/dbraw/zinc/26/73/80/381267380.db2.gz KXPXAAMQAGASJI-RYUDHWBXSA-N 1 1 282.365 2.800 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296039423 381225311 /nfs/dbraw/zinc/22/53/11/381225311.db2.gz MYZVXHTWMCRCHO-GFCCVEGCSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356197 381292562 /nfs/dbraw/zinc/29/25/62/381292562.db2.gz GDFZVAZMVKBJNJ-GXFFZTMASA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1cn[nH]c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412113 /nfs/dbraw/zinc/41/21/13/381412113.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 1 286.335 2.791 20 5 CFBDMO CCn1ccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296484153 381416290 /nfs/dbraw/zinc/41/62/90/381416290.db2.gz OKCSZSLCZCSGCG-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342610436 381433770 /nfs/dbraw/zinc/43/37/70/381433770.db2.gz WTHGHSHKUIGCAJ-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464143 /nfs/dbraw/zinc/46/41/43/381464143.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464150 /nfs/dbraw/zinc/46/41/50/381464150.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 1 1 291.395 2.675 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000370705968 381494013 /nfs/dbraw/zinc/49/40/13/381494013.db2.gz KNXULGWLOQUHIC-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000414360858 381582385 /nfs/dbraw/zinc/58/23/85/381582385.db2.gz BBZCBHBCDXJSKR-NSHDSACASA-N 1 1 286.335 2.798 20 5 CFBDMO C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290811631 381560526 /nfs/dbraw/zinc/56/05/26/381560526.db2.gz REHYAPKFXFLKQA-VHSXEESVSA-N 1 1 279.315 2.771 20 5 CFBDMO C[C@@H]1[C@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000342828051 381571929 /nfs/dbraw/zinc/57/19/29/381571929.db2.gz AQDBRSOFHLATJS-MWLCHTKSSA-N 1 1 267.304 2.629 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355112142 381619158 /nfs/dbraw/zinc/61/91/58/381619158.db2.gz NDWHYVUTBOZSFM-UONOGXRCSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355141437 381639311 /nfs/dbraw/zinc/63/93/11/381639311.db2.gz YERAVSNYURFXRL-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348713166 381681828 /nfs/dbraw/zinc/68/18/28/381681828.db2.gz VTFPQAYGFCUTNN-BTKRWWFXSA-N 1 1 276.336 2.719 20 5 CFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616568 381682921 /nfs/dbraw/zinc/68/29/21/381682921.db2.gz QTWZJDPDHPYJRR-YPMHNXCESA-N 1 1 291.351 2.654 20 5 CFBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000359968172 381703589 /nfs/dbraw/zinc/70/35/89/381703589.db2.gz OCFMVYXRYZRVOS-NSHDSACASA-N 1 1 281.331 2.573 20 5 CFBDMO CC(C)(C)[C@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051429 381735998 /nfs/dbraw/zinc/73/59/98/381735998.db2.gz JSMOFJSKHNMAKV-QPBFKRLHSA-N 1 1 277.368 2.571 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000372096701 381749552 /nfs/dbraw/zinc/74/95/52/381749552.db2.gz UELIZNSSSKDUFR-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CC[NH+](CC)[C@H](C)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000355280241 381721996 /nfs/dbraw/zinc/72/19/96/381721996.db2.gz MNRGWDNSTYLZOZ-QQBNSCQMSA-N 1 1 291.395 2.928 20 5 CFBDMO CCC[C@H](C)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271861 381783533 /nfs/dbraw/zinc/78/35/33/381783533.db2.gz DWYRRWRUIDXUAL-QWHCGFSZSA-N 1 1 280.372 2.864 20 5 CFBDMO Cc1ccc(N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000372304496 381786656 /nfs/dbraw/zinc/78/66/56/381786656.db2.gz FTRYQRGKBTVIBO-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211575 381770713 /nfs/dbraw/zinc/77/07/13/381770713.db2.gz FJKLXHVNKGWAMW-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000291833751 381774060 /nfs/dbraw/zinc/77/40/60/381774060.db2.gz OGOVNXGTOUWFHD-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210500 381849750 /nfs/dbraw/zinc/84/97/50/381849750.db2.gz FHNDVKFLCSDKPN-VHSXEESVSA-N 1 1 283.759 2.777 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292907180 381897457 /nfs/dbraw/zinc/89/74/57/381897457.db2.gz HABGSRMGRPQIPL-MRXNPFEDSA-N 1 1 289.379 2.513 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292892406 381888032 /nfs/dbraw/zinc/88/80/32/381888032.db2.gz VWRYXHAXEQNMEA-HNNXBMFYSA-N 1 1 293.342 2.656 20 5 CFBDMO CC(C)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000292992892 381939416 /nfs/dbraw/zinc/93/94/16/381939416.db2.gz CGIBWCSIJQKDOR-GFCCVEGCSA-N 1 1 284.381 2.903 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000292992892 381939426 /nfs/dbraw/zinc/93/94/26/381939426.db2.gz CGIBWCSIJQKDOR-GFCCVEGCSA-N 1 1 284.381 2.903 20 5 CFBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000349492761 381944818 /nfs/dbraw/zinc/94/48/18/381944818.db2.gz GNDVNRWWMDIPPY-ZDUSSCGKSA-N 1 1 274.324 2.569 20 5 CFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000343884674 382003120 /nfs/dbraw/zinc/00/31/20/382003120.db2.gz FMVKBQDWUIXPJM-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000343995766 382056297 /nfs/dbraw/zinc/05/62/97/382056297.db2.gz ZVJHYKAJVACQMX-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000374990015 382063318 /nfs/dbraw/zinc/06/33/18/382063318.db2.gz RPKKIPPOLUXVES-UHFFFAOYSA-N 1 1 293.342 2.799 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(F)c1 ZINC000344015895 382070443 /nfs/dbraw/zinc/07/04/43/382070443.db2.gz YOFDCYWLKQQIEF-NSHDSACASA-N 1 1 264.300 2.966 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC2(CC2)C1 ZINC000187008238 382076085 /nfs/dbraw/zinc/07/60/85/382076085.db2.gz LPKRUPBTAARPCW-UHFFFAOYSA-N 1 1 276.336 2.850 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293317080 382076910 /nfs/dbraw/zinc/07/69/10/382076910.db2.gz XIFVQHPWZOUBLZ-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351938522 382079804 /nfs/dbraw/zinc/07/98/04/382079804.db2.gz WLTOXWYLBCEFON-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301604428 382180239 /nfs/dbraw/zinc/18/02/39/382180239.db2.gz LUUANWIGOJOQMH-ZDUSSCGKSA-N 1 1 277.368 2.985 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301310508 382145097 /nfs/dbraw/zinc/14/50/97/382145097.db2.gz ZSBKVEFJPOPBMF-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000357495244 382194735 /nfs/dbraw/zinc/19/47/35/382194735.db2.gz ZLQPYGZRRHFAEW-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352188346 382214470 /nfs/dbraw/zinc/21/44/70/382214470.db2.gz YFHBQKQAVJLVFU-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352188346 382214478 /nfs/dbraw/zinc/21/44/78/382214478.db2.gz YFHBQKQAVJLVFU-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1nc(N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363449416 382233250 /nfs/dbraw/zinc/23/32/50/382233250.db2.gz KNEMXCMCTLHDEG-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C2 ZINC000302656577 382284817 /nfs/dbraw/zinc/28/48/17/382284817.db2.gz KYOCYWUINGULNC-SNVBAGLBSA-N 1 1 290.298 2.666 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1cccc(C)c1[N+](=O)[O-])C2 ZINC000302666528 382286518 /nfs/dbraw/zinc/28/65/18/382286518.db2.gz MSYQINWQVDIHAP-LBPRGKRZSA-N 1 1 286.335 2.835 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956868 382309835 /nfs/dbraw/zinc/30/98/35/382309835.db2.gz YPEGTKLVGMEJLN-CZUORRHYSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964424 382311324 /nfs/dbraw/zinc/31/13/24/382311324.db2.gz UAZPAWRYQWHCCR-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO Cn1c[nH+]cc1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302777048 382315139 /nfs/dbraw/zinc/31/51/39/382315139.db2.gz PDJGIFSBDYNELT-UHFFFAOYSA-N 1 1 280.715 2.636 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364532189 382324522 /nfs/dbraw/zinc/32/45/22/382324522.db2.gz WLKLXZYAMPMNOR-OAHLLOKOSA-N 1 1 276.336 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364532189 382324526 /nfs/dbraw/zinc/32/45/26/382324526.db2.gz WLKLXZYAMPMNOR-OAHLLOKOSA-N 1 1 276.336 2.514 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302822265 382326317 /nfs/dbraw/zinc/32/63/17/382326317.db2.gz SDGLHAVPXDQQOO-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO COC[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352540223 382386135 /nfs/dbraw/zinc/38/61/35/382386135.db2.gz ILPHIRULAQMJMF-CHWSQXEVSA-N 1 1 278.352 2.933 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000352667574 382442609 /nfs/dbraw/zinc/44/26/09/382442609.db2.gz LKWGDGOWHLYSJL-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000279643085 194510289 /nfs/dbraw/zinc/51/02/89/194510289.db2.gz JNXYLFPZWQLMFY-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352608819 382414750 /nfs/dbraw/zinc/41/47/50/382414750.db2.gz OUURYFBJSOULQF-YPMHNXCESA-N 1 1 294.326 2.592 20 5 CFBDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000420899434 382491904 /nfs/dbraw/zinc/49/19/04/382491904.db2.gz GZNJEPAKFSPMPZ-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505892 /nfs/dbraw/zinc/50/58/92/382505892.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 1 1 289.379 2.511 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000312849399 382517700 /nfs/dbraw/zinc/51/77/00/382517700.db2.gz WSUGEYPNJXFRFT-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384295852 382552206 /nfs/dbraw/zinc/55/22/06/382552206.db2.gz XGADTZHCDNDCRS-SECBINFHSA-N 1 1 292.364 2.914 20 5 CFBDMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895247 382561329 /nfs/dbraw/zinc/56/13/29/382561329.db2.gz LYLHKOQQQRFJNO-RNCFNFMXSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895247 382561335 /nfs/dbraw/zinc/56/13/35/382561335.db2.gz LYLHKOQQQRFJNO-RNCFNFMXSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000382804080 382536201 /nfs/dbraw/zinc/53/62/01/382536201.db2.gz VUGQARPYIUTFFT-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353743224 382622763 /nfs/dbraw/zinc/62/27/63/382622763.db2.gz BPOFHFOQXUYDQP-ZFWWWQNUSA-N 1 1 291.395 2.899 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000189677994 382634689 /nfs/dbraw/zinc/63/46/89/382634689.db2.gz WCSAXWQACOONMX-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337249794 382785421 /nfs/dbraw/zinc/78/54/21/382785421.db2.gz MECHPIOKMDCONX-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923879 382800395 /nfs/dbraw/zinc/80/03/95/382800395.db2.gz NMVYKVRERXZIEH-CYBMUJFWSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000575919987 382803877 /nfs/dbraw/zinc/80/38/77/382803877.db2.gz GNRYJUTWGIPCIL-UHFFFAOYSA-N 1 1 280.324 2.692 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000227920675 382842643 /nfs/dbraw/zinc/84/26/43/382842643.db2.gz RKCFNBXUGOTLOP-SNVBAGLBSA-N 1 1 269.320 2.876 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681676 382854829 /nfs/dbraw/zinc/85/48/29/382854829.db2.gz IBBSYKXXTRCZGE-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000447805418 383009333 /nfs/dbraw/zinc/00/93/33/383009333.db2.gz JCKVTTAZHTWENC-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000447810024 383010350 /nfs/dbraw/zinc/01/03/50/383010350.db2.gz FSCDYCSKLCDHDJ-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1cccc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000338705253 383028256 /nfs/dbraw/zinc/02/82/56/383028256.db2.gz FZCVEPQTHXYXRG-CQSZACIVSA-N 1 1 277.368 2.680 20 5 CFBDMO CCOc1cccc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000338709032 383029806 /nfs/dbraw/zinc/02/98/06/383029806.db2.gz BAVGNXFQQHFUPE-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245859139 383040647 /nfs/dbraw/zinc/04/06/47/383040647.db2.gz FBMGVGYJNMMMSJ-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000447901836 383027319 /nfs/dbraw/zinc/02/73/19/383027319.db2.gz IBBBLLMBTNUJHQ-HNNXBMFYSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000447901836 383027323 /nfs/dbraw/zinc/02/73/23/383027323.db2.gz IBBBLLMBTNUJHQ-HNNXBMFYSA-N 1 1 291.395 2.805 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247505177 383179090 /nfs/dbraw/zinc/17/90/90/383179090.db2.gz IUMPPIJZUSZIGG-NWDGAFQWSA-N 1 1 293.367 2.900 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247966815 383203267 /nfs/dbraw/zinc/20/32/67/383203267.db2.gz GXMUOCHMOKOEFY-QWHCGFSZSA-N 1 1 295.408 2.572 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339590353 383256068 /nfs/dbraw/zinc/25/60/68/383256068.db2.gz PNLVBTIFLCHDOC-STQMWFEESA-N 1 1 282.315 2.974 20 5 CFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248341807 383225816 /nfs/dbraw/zinc/22/58/16/383225816.db2.gz JEHOJJIWAPYOPF-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)CC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000519797887 383235316 /nfs/dbraw/zinc/23/53/16/383235316.db2.gz OTRMUAMWDBLLNX-AWEZNQCLSA-N 1 1 292.379 2.750 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@H]1O ZINC000248411260 383237873 /nfs/dbraw/zinc/23/78/73/383237873.db2.gz DPRFWMGTJRCRGW-BXUZGUMPSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]n1)CCCC2 ZINC000567096053 383239821 /nfs/dbraw/zinc/23/98/21/383239821.db2.gz VOGUBOWKAUYIRJ-OAHLLOKOSA-N 1 1 286.335 2.875 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449502554 383338996 /nfs/dbraw/zinc/33/89/96/383338996.db2.gz OSGQDAVYNGLFNG-SWLSCSKDSA-N 1 1 278.352 2.760 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382673 383342143 /nfs/dbraw/zinc/34/21/43/383342143.db2.gz UAIZWNOYVZCUQP-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382673 383342146 /nfs/dbraw/zinc/34/21/46/383342146.db2.gz UAIZWNOYVZCUQP-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO CC(C)OC1CC([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459343125 383286012 /nfs/dbraw/zinc/28/60/12/383286012.db2.gz LNQVSZRKHAQNMJ-UHFFFAOYSA-N 1 1 290.363 2.909 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449431095 383290660 /nfs/dbraw/zinc/29/06/60/383290660.db2.gz ZMZVNHTVLHMGPJ-LBPRGKRZSA-N 1 1 262.309 2.588 20 5 CFBDMO COC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255389691 383480669 /nfs/dbraw/zinc/48/06/69/383480669.db2.gz DUDZVICRIQAUST-PODYEWJSSA-N 1 1 290.363 2.966 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000526056973 383425551 /nfs/dbraw/zinc/42/55/51/383425551.db2.gz HDNUZCFGMUAXTJ-ZDUSSCGKSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672875 383426221 /nfs/dbraw/zinc/42/62/21/383426221.db2.gz DMZVNJNBSNUVEQ-RYUDHWBXSA-N 1 1 261.325 2.634 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970577 383473196 /nfs/dbraw/zinc/47/31/96/383473196.db2.gz DXZQQGMGIGUSPR-MFOKFAIFSA-N 1 1 290.363 2.843 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000450948183 383562751 /nfs/dbraw/zinc/56/27/51/383562751.db2.gz DZDOCOAFTJXNSG-GFCCVEGCSA-N 1 1 263.341 2.514 20 5 CFBDMO COCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548448 383642654 /nfs/dbraw/zinc/64/26/54/383642654.db2.gz NHKKJBCNVFAKSC-AWEZNQCLSA-N 1 1 278.352 2.811 20 5 CFBDMO CC1(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)COC1 ZINC000451548085 383642790 /nfs/dbraw/zinc/64/27/90/383642790.db2.gz MMWIZZLMCMUFHV-CQSZACIVSA-N 1 1 290.363 2.811 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489458483 383620798 /nfs/dbraw/zinc/62/07/98/383620798.db2.gz ARXMDNJQFNHHHG-CYBMUJFWSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000453251339 383816323 /nfs/dbraw/zinc/81/63/23/383816323.db2.gz ZSYHHZJSOSANMR-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532239409 384000025 /nfs/dbraw/zinc/00/00/25/384000025.db2.gz LJZJMSFHXUSAJS-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532239409 384000028 /nfs/dbraw/zinc/00/00/28/384000028.db2.gz LJZJMSFHXUSAJS-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532423 384042457 /nfs/dbraw/zinc/04/24/57/384042457.db2.gz HIXLMQHYYJILIT-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532423 384042464 /nfs/dbraw/zinc/04/24/64/384042464.db2.gz HIXLMQHYYJILIT-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1c([C@@H](C)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000348330127 220291114 /nfs/dbraw/zinc/29/11/14/220291114.db2.gz HIQXVBQEDRWVKE-ZYHUDNBSSA-N 1 1 265.357 2.504 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CC2)cc1 ZINC000130525289 285111902 /nfs/dbraw/zinc/11/19/02/285111902.db2.gz BJIUMSZBKRDHOM-HNNXBMFYSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268498435 384627692 /nfs/dbraw/zinc/62/76/92/384627692.db2.gz PREWGZHUSJPOMZ-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000269340395 384750071 /nfs/dbraw/zinc/75/00/71/384750071.db2.gz GBBLNDCORYYDNY-UHFFFAOYSA-N 1 1 282.340 2.844 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843027 384879469 /nfs/dbraw/zinc/87/94/69/384879469.db2.gz RUHIHWLOOCOUFB-PWSUYJOCSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CCCC1)CCO2 ZINC000352677893 285141924 /nfs/dbraw/zinc/14/19/24/285141924.db2.gz LSJGBINAFAVNKC-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000280271576 384954626 /nfs/dbraw/zinc/95/46/26/384954626.db2.gz CTSVZMKQDDDJRG-SNVBAGLBSA-N 1 1 284.381 2.639 20 5 CFBDMO Cc1ccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269898985 384897860 /nfs/dbraw/zinc/89/78/60/384897860.db2.gz FGWNXSUCRLDVLV-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280256315 384946011 /nfs/dbraw/zinc/94/60/11/384946011.db2.gz WXIGLUTWLIUJSW-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO COc1ccc(C[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000270142376 384990913 /nfs/dbraw/zinc/99/09/13/384990913.db2.gz IOZVSBWCOHXHGA-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO COc1ccc(C[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000270142376 384990920 /nfs/dbraw/zinc/99/09/20/384990920.db2.gz IOZVSBWCOHXHGA-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000282485096 385324335 /nfs/dbraw/zinc/32/43/35/385324335.db2.gz PFLXLCILMQDQFD-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO COc1cc(C[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000271059554 385324343 /nfs/dbraw/zinc/32/43/43/385324343.db2.gz VWBCUTAEUSRZJS-UHFFFAOYSA-N 1 1 282.340 2.700 20 5 CFBDMO CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000282359312 385293109 /nfs/dbraw/zinc/29/31/09/385293109.db2.gz NCWRSKDKABAHEJ-SWLSCSKDSA-N 1 1 278.352 2.637 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283023638 385424292 /nfs/dbraw/zinc/42/42/92/385424292.db2.gz HBYZGEICLPMZRP-GFCCVEGCSA-N 1 1 282.315 2.592 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283062318 385431748 /nfs/dbraw/zinc/43/17/48/385431748.db2.gz JNTRJNPIPORRCY-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC000272262122 385491699 /nfs/dbraw/zinc/49/16/99/385491699.db2.gz BUAIHJLMYVFXBI-QWHCGFSZSA-N 1 1 278.352 2.669 20 5 CFBDMO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000272932205 385657378 /nfs/dbraw/zinc/65/73/78/385657378.db2.gz LFHCRCZCIQNWMQ-SECBINFHSA-N 1 1 297.305 2.935 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286633597 385670907 /nfs/dbraw/zinc/67/09/07/385670907.db2.gz SQVMZDUXYWMQQW-ZLKJLUDKSA-N 1 1 264.325 2.501 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154611 385947323 /nfs/dbraw/zinc/94/73/23/385947323.db2.gz QCLPBJJVVCMCPP-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154609 385947541 /nfs/dbraw/zinc/94/75/41/385947541.db2.gz QCLPBJJVVCMCPP-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)C(C)(C)C ZINC000276650960 386003223 /nfs/dbraw/zinc/00/32/23/386003223.db2.gz ZDJKQQZYJHPSQH-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO CC[N@@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276680117 386012966 /nfs/dbraw/zinc/01/29/66/386012966.db2.gz UWDLJPDUZZNBRP-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCCO1 ZINC000281250830 195168116 /nfs/dbraw/zinc/16/81/16/195168116.db2.gz MNXHYEXJEIKUBJ-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281581972 195296430 /nfs/dbraw/zinc/29/64/30/195296430.db2.gz DIJOSWPBYAQEOR-BXUZGUMPSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n(C)n1 ZINC000283804688 195922487 /nfs/dbraw/zinc/92/24/87/195922487.db2.gz CABQGVBCPYORPP-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO COc1cccc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413343221 533618452 /nfs/dbraw/zinc/61/84/52/533618452.db2.gz AJJMZZLWHYVUIJ-UHFFFAOYSA-N 1 1 293.367 2.890 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342039551 130252871 /nfs/dbraw/zinc/25/28/71/130252871.db2.gz WARLABQLPQAULF-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342039551 130252873 /nfs/dbraw/zinc/25/28/73/130252873.db2.gz WARLABQLPQAULF-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305864817 393503927 /nfs/dbraw/zinc/50/39/27/393503927.db2.gz MRUQABXWLAPLBU-RWMBFGLXSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC12CCOCC2 ZINC000375730673 393509815 /nfs/dbraw/zinc/50/98/15/393509815.db2.gz KGUIPSMUCBKLQV-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000375742758 393510525 /nfs/dbraw/zinc/51/05/25/393510525.db2.gz MHZJIHGWPTVRJN-FFNLUWKOSA-N 1 1 294.376 2.512 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046054735 393576900 /nfs/dbraw/zinc/57/69/00/393576900.db2.gz POVAFWWUZLYCSK-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048739056 393597631 /nfs/dbraw/zinc/59/76/31/393597631.db2.gz TVAKBVZTLYPBPV-ZDUSSCGKSA-N 1 1 292.335 2.512 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959968 393785193 /nfs/dbraw/zinc/78/51/93/393785193.db2.gz JYKQSUUPYDPFJV-FRRDWIJNSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959968 393785195 /nfs/dbraw/zinc/78/51/95/393785195.db2.gz JYKQSUUPYDPFJV-FRRDWIJNSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000091957384 393785552 /nfs/dbraw/zinc/78/55/52/393785552.db2.gz UVKVZUSXEAUBKQ-MELADBBJSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278980 393907289 /nfs/dbraw/zinc/90/72/89/393907289.db2.gz JWBLTJUEOCFDOY-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278980 393907292 /nfs/dbraw/zinc/90/72/92/393907292.db2.gz JWBLTJUEOCFDOY-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246260191 393857398 /nfs/dbraw/zinc/85/73/98/393857398.db2.gz QQFOFQPWNLPXBF-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)(NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429233920 393946433 /nfs/dbraw/zinc/94/64/33/393946433.db2.gz FJPXZJIGSXCLGH-UHFFFAOYSA-N 1 1 291.395 2.905 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352701978 394017973 /nfs/dbraw/zinc/01/79/73/394017973.db2.gz WYWLOWNEXKBAFK-HONMWMINSA-N 1 1 264.325 2.501 20 5 CFBDMO COCCCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418139406 394019410 /nfs/dbraw/zinc/01/94/10/394019410.db2.gz UOBYJCWSNSTKOV-VQHVLOKHSA-N 1 1 278.352 2.966 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193898 393964946 /nfs/dbraw/zinc/96/49/46/393964946.db2.gz WXDQIGVGCNMSSZ-UWVGGRQHSA-N 1 1 283.759 2.777 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000430194757 393966263 /nfs/dbraw/zinc/96/62/63/393966263.db2.gz KSSCGXLYPYLFMF-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000264063159 393966773 /nfs/dbraw/zinc/96/67/73/393966773.db2.gz JREWWKFHZLEDOB-LLVKDONJSA-N 1 1 293.367 2.940 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000430205766 393967842 /nfs/dbraw/zinc/96/78/42/393967842.db2.gz JRLKQUATBAHQIJ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)C1 ZINC000430213180 393968682 /nfs/dbraw/zinc/96/86/82/393968682.db2.gz AUWVUPZYKCDWNL-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)C1 ZINC000430213180 393968687 /nfs/dbraw/zinc/96/86/87/393968687.db2.gz AUWVUPZYKCDWNL-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C ZINC000430236862 393971513 /nfs/dbraw/zinc/97/15/13/393971513.db2.gz HSYVHGVHJDIPAT-SNVBAGLBSA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1CC[NH3+] ZINC000352535570 394015459 /nfs/dbraw/zinc/01/54/59/394015459.db2.gz SFGGSCNCWRVOER-CQSZACIVSA-N 1 1 277.368 2.607 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220537 394105462 /nfs/dbraw/zinc/10/54/62/394105462.db2.gz PYEAFUUMGYGPRW-JGGQBBKZSA-N 1 1 289.379 2.872 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000439094998 394098174 /nfs/dbraw/zinc/09/81/74/394098174.db2.gz JWLUIBRRBRUZSU-AWEZNQCLSA-N 1 1 292.383 2.912 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287763549 394210006 /nfs/dbraw/zinc/21/00/06/394210006.db2.gz MJBXMOKJFXGFIJ-NSHDSACASA-N 1 1 296.342 2.859 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000135262347 394215400 /nfs/dbraw/zinc/21/54/00/394215400.db2.gz ZLTZBPOCMJBFOH-UHFFFAOYSA-N 1 1 275.308 2.968 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291692257 394257283 /nfs/dbraw/zinc/25/72/83/394257283.db2.gz HNOWDZLDWDXJPC-OLZOCXBDSA-N 1 1 286.335 2.799 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000136839230 394235994 /nfs/dbraw/zinc/23/59/94/394235994.db2.gz BVIQPIQDFFKLTR-BPFGOOJPSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286080454 394189409 /nfs/dbraw/zinc/18/94/09/394189409.db2.gz JSHZYUXEMKHKBI-GFCCVEGCSA-N 1 1 292.383 2.853 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286316191 394196201 /nfs/dbraw/zinc/19/62/01/394196201.db2.gz UJMPNCBNNMFHSL-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000363491652 394196754 /nfs/dbraw/zinc/19/67/54/394196754.db2.gz WDAAAACQXFFHSV-CYBMUJFWSA-N 1 1 276.336 2.835 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC[C@@H]1C ZINC000367700216 394260444 /nfs/dbraw/zinc/26/04/44/394260444.db2.gz BQGDVGICFDDHKS-LBPRGKRZSA-N 1 1 264.325 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CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355664123 155059864 /nfs/dbraw/zinc/05/98/64/155059864.db2.gz UBMIUFOQAIUIDT-UHFFFAOYSA-N 1 1 288.351 2.741 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1C1CC1 ZINC000363474123 156177251 /nfs/dbraw/zinc/17/72/51/156177251.db2.gz GTKIBTLNJHPFDY-CYBMUJFWSA-N 1 1 276.336 2.848 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C1CC1 ZINC000363474124 156177715 /nfs/dbraw/zinc/17/77/15/156177715.db2.gz GTKIBTLNJHPFDY-ZDUSSCGKSA-N 1 1 276.336 2.848 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374400079 157109355 /nfs/dbraw/zinc/10/93/55/157109355.db2.gz OPKHIXLLMFLMIG-NEPJUHHUSA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000375302589 157221071 /nfs/dbraw/zinc/22/10/71/157221071.db2.gz LYNMXBDNVIAOCI-HNNXBMFYSA-N 1 1 276.336 2.658 20 5 CFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000375742762 157277905 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CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346169354 162337059 /nfs/dbraw/zinc/33/70/59/162337059.db2.gz QFKKQBUUFLYBLM-OLZOCXBDSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346175794 162340136 /nfs/dbraw/zinc/34/01/36/162340136.db2.gz HYFSEGKQAFDKGM-STQMWFEESA-N 1 1 277.368 2.509 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346175792 162341901 /nfs/dbraw/zinc/34/19/01/162341901.db2.gz HYFSEGKQAFDKGM-QWHCGFSZSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836286 163023955 /nfs/dbraw/zinc/02/39/55/163023955.db2.gz RMGWEBMPJBRUDH-OCCSQVGLSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836286 163023958 /nfs/dbraw/zinc/02/39/58/163023958.db2.gz RMGWEBMPJBRUDH-OCCSQVGLSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603407 163155537 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CN(CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[N@H+]1C ZINC000285399546 196272657 /nfs/dbraw/zinc/27/26/57/196272657.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 1 1 291.395 2.553 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000040623991 174356449 /nfs/dbraw/zinc/35/64/49/174356449.db2.gz XBJSLAJTXXAYRM-LBPRGKRZSA-N 1 1 263.341 2.737 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044417341 175173317 /nfs/dbraw/zinc/17/33/17/175173317.db2.gz ISQFFSSQPUYGEM-LBPRGKRZSA-N 1 1 261.325 2.552 20 5 CFBDMO CCC[C@@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000071273132 176105393 /nfs/dbraw/zinc/10/53/93/176105393.db2.gz QDERYUPEUIEMGY-CQSZACIVSA-N 1 1 288.351 2.959 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000525784652 262234229 /nfs/dbraw/zinc/23/42/29/262234229.db2.gz VFRGFRUNAJNAPE-GFCCVEGCSA-N 1 1 296.367 2.960 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000396022162 270314158 /nfs/dbraw/zinc/31/41/58/270314158.db2.gz LFYGGDJEPGIKBB-MNOVXSKESA-N 1 1 272.308 2.797 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000396022159 270314238 /nfs/dbraw/zinc/31/42/38/270314238.db2.gz LFYGGDJEPGIKBB-GHMZBOCLSA-N 1 1 272.308 2.797 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000827720308 782041946 /nfs/dbraw/zinc/04/19/46/782041946.db2.gz CAGPNZQLSVCNQP-OCCSQVGLSA-N 1 1 289.335 2.550 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000282431434 274080439 /nfs/dbraw/zinc/08/04/39/274080439.db2.gz RJIUGQDTUSVCOT-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H](C[NH+](C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287151675 274212556 /nfs/dbraw/zinc/21/25/56/274212556.db2.gz STVDBQWMEKDACU-NHYWBVRUSA-N 1 1 277.368 2.512 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000227888390 275033767 /nfs/dbraw/zinc/03/37/67/275033767.db2.gz XAZZAVIHOIAKSK-VHSXEESVSA-N 1 1 297.305 2.912 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+](C3CC3)CC2)c(F)c1 ZINC000178870462 275033798 /nfs/dbraw/zinc/03/37/98/275033798.db2.gz GOFPTIWVUGWAFI-UHFFFAOYSA-N 1 1 297.305 2.548 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@H+](C3CC3)CC2)c(F)c1 ZINC000178870462 275033800 /nfs/dbraw/zinc/03/38/00/275033800.db2.gz GOFPTIWVUGWAFI-UHFFFAOYSA-N 1 1 297.305 2.548 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000158721146 275035311 /nfs/dbraw/zinc/03/53/11/275035311.db2.gz KVYNTQPJMTZVMY-XHSDSOJGSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300405520 275041429 /nfs/dbraw/zinc/04/14/29/275041429.db2.gz VNGDLACPVWKWOZ-UWVGGRQHSA-N 1 1 296.758 2.682 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133611525 277070183 /nfs/dbraw/zinc/07/01/83/277070183.db2.gz JCEOAYDMKZSYKS-OLZOCXBDSA-N 1 1 275.352 2.515 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000368389740 277146503 /nfs/dbraw/zinc/14/65/03/277146503.db2.gz YLRBLHJQTJAJAK-MFKMUULPSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375235845 277146513 /nfs/dbraw/zinc/14/65/13/277146513.db2.gz WYSZUHNUPXRYSY-YGRLFVJLSA-N 1 1 295.770 2.779 20 5 CFBDMO CSC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000356513994 278123363 /nfs/dbraw/zinc/12/33/63/278123363.db2.gz DAOAVGQJEFGCBO-UHFFFAOYSA-N 1 1 294.376 2.685 20 5 CFBDMO CSC1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000356513994 278123366 /nfs/dbraw/zinc/12/33/66/278123366.db2.gz DAOAVGQJEFGCBO-UHFFFAOYSA-N 1 1 294.376 2.685 20 5 CFBDMO C[C@@H](C[NH+](C)C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294786 278240040 /nfs/dbraw/zinc/24/00/40/278240040.db2.gz RFVOUABSNTYUFK-XHDPSFHLSA-N 1 1 291.395 2.857 20 5 CFBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112659876 279235789 /nfs/dbraw/zinc/23/57/89/279235789.db2.gz OTGIPYHQQNYOLM-NSHDSACASA-N 1 1 293.367 2.560 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422918359 280978807 /nfs/dbraw/zinc/97/88/07/280978807.db2.gz HDMGAEPAOULAQY-WOPDTQHZSA-N 1 1 265.357 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000268063007 281014207 /nfs/dbraw/zinc/01/42/07/281014207.db2.gz ZFRISAKJVSKSBA-OLZOCXBDSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186831203 281021917 /nfs/dbraw/zinc/02/19/17/281021917.db2.gz ULTLJJGHHXSGKU-XUJVJEKNSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420300907 281022027 /nfs/dbraw/zinc/02/20/27/281022027.db2.gz DHXDICPFPQJHDQ-FRRDWIJNSA-N 1 1 277.368 2.633 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249588016 281063369 /nfs/dbraw/zinc/06/33/69/281063369.db2.gz ULTLJJGHHXSGKU-SLEUVZQESA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728747 281208373 /nfs/dbraw/zinc/20/83/73/281208373.db2.gz IGSWPDYOFYWVCR-QWRGUYRKSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728747 281208374 /nfs/dbraw/zinc/20/83/74/281208374.db2.gz IGSWPDYOFYWVCR-QWRGUYRKSA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1cccc(NCCNc2c(F)cccc2[N+](=O)[O-])[nH+]1 ZINC000342119561 281244373 /nfs/dbraw/zinc/24/43/73/281244373.db2.gz AULCSMBULRRVFZ-UHFFFAOYSA-N 1 1 290.298 2.961 20 5 CFBDMO CC[NH+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000527494130 281333977 /nfs/dbraw/zinc/33/39/77/281333977.db2.gz IGIOHCVGHRLCFI-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CS[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000562723336 290071356 /nfs/dbraw/zinc/07/13/56/290071356.db2.gz XZNSHDHTRJLOCT-SNVBAGLBSA-N 1 1 293.348 2.673 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000562723336 290071359 /nfs/dbraw/zinc/07/13/59/290071359.db2.gz XZNSHDHTRJLOCT-SNVBAGLBSA-N 1 1 293.348 2.673 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489269754 290267922 /nfs/dbraw/zinc/26/79/22/290267922.db2.gz VENZLXKFEDDQAH-ABAIWWIYSA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332209193 290268110 /nfs/dbraw/zinc/26/81/10/290268110.db2.gz JHXVCGBXVUSOKA-XJFOESAGSA-N 1 1 290.363 2.749 20 5 CFBDMO CC(C)c1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000575180805 322720955 /nfs/dbraw/zinc/72/09/55/322720955.db2.gz DDVKAOKKFOVHLZ-VXGBXAGGSA-N 1 1 279.384 2.934 20 5 CFBDMO COC[C@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189667517 324031561 /nfs/dbraw/zinc/03/15/61/324031561.db2.gz UZYMMTBRESSLEM-GFCCVEGCSA-N 1 1 278.352 2.842 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261863 325106018 /nfs/dbraw/zinc/10/60/18/325106018.db2.gz TWNZHTORZYBHGN-CQSZACIVSA-N 1 1 277.368 2.512 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261863 325106022 /nfs/dbraw/zinc/10/60/22/325106022.db2.gz TWNZHTORZYBHGN-CQSZACIVSA-N 1 1 277.368 2.512 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000582843735 325238690 /nfs/dbraw/zinc/23/86/90/325238690.db2.gz WTMMFOBGVWBWLN-OAHLLOKOSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000582843735 325238691 /nfs/dbraw/zinc/23/86/91/325238691.db2.gz WTMMFOBGVWBWLN-OAHLLOKOSA-N 1 1 276.336 2.596 20 5 CFBDMO CC[C@@H](C)[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311655517 522089152 /nfs/dbraw/zinc/08/91/52/522089152.db2.gz VFBMIQQUFBINEL-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311655517 522089165 /nfs/dbraw/zinc/08/91/65/522089165.db2.gz VFBMIQQUFBINEL-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414871577 533769491 /nfs/dbraw/zinc/76/94/91/533769491.db2.gz DHBYTEYBGNVLMA-NSHDSACASA-N 1 1 289.335 2.539 20 5 CFBDMO C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000414855016 533789154 /nfs/dbraw/zinc/78/91/54/533789154.db2.gz MRAXQHZIJQBUMZ-HSRYQADGSA-N 1 1 289.379 2.586 20 5 CFBDMO CC(C)(O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000360474970 519340840 /nfs/dbraw/zinc/34/08/40/519340840.db2.gz SBOWGEAZUJVKNZ-UHFFFAOYSA-N 1 1 278.352 2.720 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305721127 519835927 /nfs/dbraw/zinc/83/59/27/519835927.db2.gz BJUWHHVJRXJDKK-CYBMUJFWSA-N 1 1 278.352 2.675 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361022268 520292615 /nfs/dbraw/zinc/29/26/15/520292615.db2.gz KHPOHAVSLCEFTA-FNOHHLHBSA-N 1 1 278.352 2.965 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000080694556 521610199 /nfs/dbraw/zinc/61/01/99/521610199.db2.gz GVPGBYCUODEJKC-UHFFFAOYSA-N 1 1 293.367 2.941 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359111406 521641469 /nfs/dbraw/zinc/64/14/69/521641469.db2.gz VOOZNGUZTOYHHF-GFCCVEGCSA-N 1 1 278.356 2.503 20 5 CFBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171678506 521669309 /nfs/dbraw/zinc/66/93/09/521669309.db2.gz AMDUPGLMUHCQOO-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000217367056 522058982 /nfs/dbraw/zinc/05/89/82/522058982.db2.gz DZSPGJBJVYNOAO-LLVKDONJSA-N 1 1 251.330 2.737 20 5 CFBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452070681 534632672 /nfs/dbraw/zinc/63/26/72/534632672.db2.gz GLQGMFUUYVNWTL-LBPRGKRZSA-N 1 1 280.372 2.549 20 5 CFBDMO CC[C@H](N[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576606 522734384 /nfs/dbraw/zinc/73/43/84/522734384.db2.gz FXOVZXBZHRHKNK-RISCZKNCSA-N 1 1 265.357 2.586 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000361372652 523687701 /nfs/dbraw/zinc/68/77/01/523687701.db2.gz POZXTXKDTJFDHE-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000361372652 523687707 /nfs/dbraw/zinc/68/77/07/523687707.db2.gz POZXTXKDTJFDHE-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO CCc1cc(NCc2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000088760369 523823445 /nfs/dbraw/zinc/82/34/45/523823445.db2.gz LANOMMJXMCAASJ-UHFFFAOYSA-N 1 1 272.308 2.868 20 5 CFBDMO CN(C)C(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443944 524033178 /nfs/dbraw/zinc/03/31/78/524033178.db2.gz QDQUIIORRKWQIC-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311010029 524097220 /nfs/dbraw/zinc/09/72/20/524097220.db2.gz ZQSIDWJQYVOORK-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)C ZINC000339254535 524258831 /nfs/dbraw/zinc/25/88/31/524258831.db2.gz NVVZMJJLWSMWBV-NSHDSACASA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000231884065 524587023 /nfs/dbraw/zinc/58/70/23/524587023.db2.gz VSPWPAAAIFXXHO-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000361001090 525458807 /nfs/dbraw/zinc/45/88/07/525458807.db2.gz YMJAJVPTTRGBHO-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccnc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000360263315 525694550 /nfs/dbraw/zinc/69/45/50/525694550.db2.gz BAQQHNFLWLSTMI-CHWSQXEVSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1c(C[NH2+][C@H](C)c2cnccn2)cccc1[N+](=O)[O-] ZINC000231883846 525727820 /nfs/dbraw/zinc/72/78/20/525727820.db2.gz BBURICAPFIYDPI-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnn2ccccc12 ZINC000071373424 527400132 /nfs/dbraw/zinc/40/01/32/527400132.db2.gz BESOJNRSXWLYBB-UHFFFAOYSA-N 1 1 282.303 2.532 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193855722 527401410 /nfs/dbraw/zinc/40/14/10/527401410.db2.gz CETUTTJVUMTHRO-GFCCVEGCSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000364327973 527416318 /nfs/dbraw/zinc/41/63/18/527416318.db2.gz LCGNLSPYNUJBOV-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425956904 528095539 /nfs/dbraw/zinc/09/55/39/528095539.db2.gz GJNAUKNUNZEQNB-JSGCOSHPSA-N 1 1 292.379 2.921 20 5 CFBDMO CCOc1cc(NC[C@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000111046002 528328704 /nfs/dbraw/zinc/32/87/04/528328704.db2.gz SFULOZNZQXMSJC-CYBMUJFWSA-N 1 1 293.367 2.890 20 5 CFBDMO CCCNCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306029 528517440 /nfs/dbraw/zinc/51/74/40/528517440.db2.gz DFTMLAIECMQTNX-OAHLLOKOSA-N 1 1 291.395 2.505 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413270103 528937266 /nfs/dbraw/zinc/93/72/66/528937266.db2.gz UGYHBJXBBQFZMK-UHFFFAOYSA-N 1 1 296.346 2.663 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341927274 535527015 /nfs/dbraw/zinc/52/70/15/535527015.db2.gz JFDUSHIJBFDGAU-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1nn(C[N@@H+]2CCCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000738227457 574055814 /nfs/dbraw/zinc/05/58/14/574055814.db2.gz VBSDJJFPLQUDHA-JTQLQIEISA-N 1 1 266.345 2.630 20 5 CFBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728897329 574135389 /nfs/dbraw/zinc/13/53/89/574135389.db2.gz PHSBWLIMEHOKHT-UHFFFAOYSA-N 1 1 272.308 2.510 20 5 CFBDMO CCC1(CC)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000755931519 574198971 /nfs/dbraw/zinc/19/89/71/574198971.db2.gz PCWWDXRAQZDBRT-UHFFFAOYSA-N 1 1 280.372 2.878 20 5 CFBDMO C[C@@H](O[NH+]=C(N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000749795568 574309548 /nfs/dbraw/zinc/30/95/48/574309548.db2.gz MLWRYGNTCXIBQO-SNVBAGLBSA-N 1 1 293.323 2.581 20 5 CFBDMO C[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079465 574323158 /nfs/dbraw/zinc/32/31/58/574323158.db2.gz VTYGLNZKDXIIJL-WFASDCNBSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074350 574323301 /nfs/dbraw/zinc/32/33/01/574323301.db2.gz WGZWGWXGBQIRSO-UXIGCNINSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751925066 574385100 /nfs/dbraw/zinc/38/51/00/574385100.db2.gz LKYZSOXZJRJAMD-GFCCVEGCSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891782568 617750679 /nfs/dbraw/zinc/75/06/79/617750679.db2.gz UXNLBLOLPNAMBB-LLVKDONJSA-N 1 1 280.324 2.683 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120706027 617775523 /nfs/dbraw/zinc/77/55/23/617775523.db2.gz XBCKPNSNVHCWGE-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120706027 617775526 /nfs/dbraw/zinc/77/55/26/617775526.db2.gz XBCKPNSNVHCWGE-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000891932432 617832576 /nfs/dbraw/zinc/83/25/76/617832576.db2.gz CGVIYESOOYNNHM-GFCCVEGCSA-N 1 1 292.335 2.683 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000934774486 618127582 /nfs/dbraw/zinc/12/75/82/618127582.db2.gz SLGZVLNCEUTRKH-RISCZKNCSA-N 1 1 296.367 2.919 20 5 CFBDMO CCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC1CC1 ZINC000891393992 618183798 /nfs/dbraw/zinc/18/37/98/618183798.db2.gz NENQJUORJWHATA-UHFFFAOYSA-N 1 1 294.351 2.931 20 5 CFBDMO CC[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925540488 618899600 /nfs/dbraw/zinc/89/96/00/618899600.db2.gz CKEMFCYNTDTHFP-ZNMIVQPWSA-N 1 1 289.379 2.905 20 5 CFBDMO CCn1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000893280125 618929072 /nfs/dbraw/zinc/92/90/72/618929072.db2.gz VMFHPUNXKYHNBE-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO CCC[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925790612 619115347 /nfs/dbraw/zinc/11/53/47/619115347.db2.gz JIOIYKRRIHDZER-INWMFGNUSA-N 1 1 291.395 2.881 20 5 CFBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC000895734531 619596459 /nfs/dbraw/zinc/59/64/59/619596459.db2.gz OJBOLIZGUHERRL-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737248 619597565 /nfs/dbraw/zinc/59/75/65/619597565.db2.gz OEHUZGJBEYEHME-YGRLFVJLSA-N 1 1 286.335 2.648 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780355 619608923 /nfs/dbraw/zinc/60/89/23/619608923.db2.gz IFUXHAGDLURLNK-DRYSKOCLSA-N 1 1 290.388 2.903 20 5 CFBDMO Cc1cc(-c2noc(C3([NH+](C)C)CC3)n2)cc([N+](=O)[O-])c1 ZINC000896389122 619727599 /nfs/dbraw/zinc/72/75/99/619727599.db2.gz TXDJCFNDSSUPQL-UHFFFAOYSA-N 1 1 288.307 2.504 20 5 CFBDMO C[N@H+]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915439 619885309 /nfs/dbraw/zinc/88/53/09/619885309.db2.gz YBLKIHJWTYVCFL-YGRLFVJLSA-N 1 1 295.770 2.636 20 5 CFBDMO COc1ccnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000925311115 620243570 /nfs/dbraw/zinc/24/35/70/620243570.db2.gz CYQIJUFXYNYUIL-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1c(OC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000888298264 625457190 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O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829621677 624478627 /nfs/dbraw/zinc/47/86/27/624478627.db2.gz VULANUQSHPBQLG-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829621677 624478634 /nfs/dbraw/zinc/47/86/34/624478634.db2.gz VULANUQSHPBQLG-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000112333518 625737161 /nfs/dbraw/zinc/73/71/61/625737161.db2.gz DKSDKBQRCSWQMQ-UHFFFAOYSA-N 1 1 296.327 2.647 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659016 626549709 /nfs/dbraw/zinc/54/97/09/626549709.db2.gz UQUOHEVZJOFJQX-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000839681195 626552275 /nfs/dbraw/zinc/55/22/75/626552275.db2.gz QNGRYXHYCGOCIH-HOCLYGCPSA-N 1 1 290.363 2.750 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000759877393 626699311 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O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC=C(Cl)Cl)CC2 ZINC000851909209 634585550 /nfs/dbraw/zinc/58/55/50/634585550.db2.gz YQPAUSGMHMQXLT-UHFFFAOYSA-N 1 1 288.134 2.667 20 5 CFBDMO CCOc1cc(NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000771227583 627586362 /nfs/dbraw/zinc/58/63/62/627586362.db2.gz CJJFQBYERYUUCW-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458304 627605887 /nfs/dbraw/zinc/60/58/87/627605887.db2.gz GIFFXRAZRFHUGW-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458300 627606137 /nfs/dbraw/zinc/60/61/37/627606137.db2.gz GIFFXRAZRFHUGW-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273924 628125137 /nfs/dbraw/zinc/12/51/37/628125137.db2.gz BKXIIXFUAFYXOU-HNNXBMFYSA-N 1 1 278.352 2.893 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593504 628163385 /nfs/dbraw/zinc/16/33/85/628163385.db2.gz XBPUZTSDLYIHAQ-ZFWWWQNUSA-N 1 1 278.352 2.606 20 5 CFBDMO CC[C@@H](CSC)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605499 628164084 /nfs/dbraw/zinc/16/40/84/628164084.db2.gz LNPRCCLPOLXUSB-GXTWGEPZSA-N 1 1 298.408 2.702 20 5 CFBDMO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000783639070 628729721 /nfs/dbraw/zinc/72/97/21/628729721.db2.gz YBKPUXZSFIOHQA-JQWIXIFHSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000783639070 628729724 /nfs/dbraw/zinc/72/97/24/628729724.db2.gz YBKPUXZSFIOHQA-JQWIXIFHSA-N 1 1 297.786 2.821 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000784390501 628813606 /nfs/dbraw/zinc/81/36/06/628813606.db2.gz HLWXSAZNIAEKKM-CZUORRHYSA-N 1 1 290.363 2.916 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCC2)cc1Cl ZINC000784672689 628835766 /nfs/dbraw/zinc/83/57/66/628835766.db2.gz PFHVWVRYTUFWAB-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000785728549 628907925 /nfs/dbraw/zinc/90/79/25/628907925.db2.gz IHPWIKCXFXLOEW-VXGBXAGGSA-N 1 1 292.335 2.511 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000786217070 628942994 /nfs/dbraw/zinc/94/29/94/628942994.db2.gz GWRSWMGZYZVTIN-AWEZNQCLSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H](O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000789329330 629147533 /nfs/dbraw/zinc/14/75/33/629147533.db2.gz FDGUXWOOPURTRX-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@H](O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000789329330 629147537 /nfs/dbraw/zinc/14/75/37/629147537.db2.gz FDGUXWOOPURTRX-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452245 629158246 /nfs/dbraw/zinc/15/82/46/629158246.db2.gz SBEJUGDXRCHSCZ-DVZHBHJUSA-N 1 1 292.379 2.995 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000791054138 629284379 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O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000796576220 629936943 /nfs/dbraw/zinc/93/69/43/629936943.db2.gz ALDKKMQKWLSAER-INIZCTEOSA-N 1 1 290.363 2.893 20 5 CFBDMO CN(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000798960093 630264480 /nfs/dbraw/zinc/26/44/80/630264480.db2.gz CFBXTZXCZGCSQV-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000852715363 634813112 /nfs/dbraw/zinc/81/31/12/634813112.db2.gz JRCONDFVNSISIR-UHFFFAOYSA-N 1 1 297.374 2.944 20 5 CFBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(C)C ZINC000804410872 630680169 /nfs/dbraw/zinc/68/01/69/630680169.db2.gz NTSFCBJYOPGHRR-UHFFFAOYSA-N 1 1 296.327 2.645 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000804504682 630688681 /nfs/dbraw/zinc/68/86/81/630688681.db2.gz QZPVVFIRVKOFRC-CMPLNLGQSA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCC2)c(C)c1[N+](=O)[O-] ZINC000102886089 631115547 /nfs/dbraw/zinc/11/55/47/631115547.db2.gz DYHXXRMMZFMLGT-ZDUSSCGKSA-N 1 1 278.356 2.630 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000841691348 631452365 /nfs/dbraw/zinc/45/23/65/631452365.db2.gz CHUFVZXUFDXXOW-IJLUTSLNSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000841693685 631453630 /nfs/dbraw/zinc/45/36/30/631453630.db2.gz VGNIJACHAVJQHN-UTUOFQBUSA-N 1 1 288.351 2.878 20 5 CFBDMO C[N@@H+](CCNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000811766821 631620576 /nfs/dbraw/zinc/62/05/76/631620576.db2.gz UFOIMFFPBAMNGT-UHFFFAOYSA-N 1 1 292.383 2.853 20 5 CFBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635439 631688517 /nfs/dbraw/zinc/68/85/17/631688517.db2.gz NKVMCZNCSOBLIL-OLZOCXBDSA-N 1 1 292.383 2.897 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000812893548 631803451 /nfs/dbraw/zinc/80/34/51/631803451.db2.gz XAUGCGPXEHZQGJ-AWEZNQCLSA-N 1 1 280.368 2.996 20 5 CFBDMO Cc1c(-c2noc([C@@H](C)[NH2+]C3CC3)n2)cccc1[N+](=O)[O-] ZINC000843238278 631910734 /nfs/dbraw/zinc/91/07/34/631910734.db2.gz NHTJSPGDPUDPFX-SECBINFHSA-N 1 1 288.307 2.766 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000815164017 632221675 /nfs/dbraw/zinc/22/16/75/632221675.db2.gz UBFPCTPINALPGM-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000815164017 632221678 /nfs/dbraw/zinc/22/16/78/632221678.db2.gz UBFPCTPINALPGM-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660718 632507106 /nfs/dbraw/zinc/50/71/06/632507106.db2.gz MZSCHVWNQZOWOL-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000848554601 633288390 /nfs/dbraw/zinc/28/83/90/633288390.db2.gz XPRKRUVQOZSVRO-STQMWFEESA-N 1 1 284.319 2.513 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cs1 ZINC000850370700 633960110 /nfs/dbraw/zinc/96/01/10/633960110.db2.gz FORBDOCXDFGABI-OLZOCXBDSA-N 1 1 290.344 2.924 20 5 CFBDMO CCC1(CC)CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000853563187 635036653 /nfs/dbraw/zinc/03/66/53/635036653.db2.gz NADPEJDCMFPCRE-UHFFFAOYSA-N 1 1 280.372 2.959 20 5 CFBDMO CCC1(CC)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000853563187 635036656 /nfs/dbraw/zinc/03/66/56/635036656.db2.gz NADPEJDCMFPCRE-UHFFFAOYSA-N 1 1 280.372 2.959 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000853665177 635067402 /nfs/dbraw/zinc/06/74/02/635067402.db2.gz GLLPGOOUCIRMIR-MFKMUULPSA-N 1 1 297.305 2.673 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000860072036 636778476 /nfs/dbraw/zinc/77/84/76/636778476.db2.gz CHEAJHNYUZFHEZ-OAHLLOKOSA-N 1 1 290.363 2.894 20 5 CFBDMO CCc1[nH+]c(C)cn1Cc1ccc([N+](=O)[O-])cc1OC ZINC000865393405 638304870 /nfs/dbraw/zinc/30/48/70/638304870.db2.gz UKYJRCJOVJUGOA-UHFFFAOYSA-N 1 1 275.308 2.719 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000865903889 638651630 /nfs/dbraw/zinc/65/16/30/638651630.db2.gz LOIAEJOZHQCTEC-MNOVXSKESA-N 1 1 295.770 2.636 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3COC4(CCC4)C3)c2c1 ZINC000865941298 638668223 /nfs/dbraw/zinc/66/82/23/638668223.db2.gz XXFMKHRXHKRMCQ-LLVKDONJSA-N 1 1 299.330 2.688 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000866193988 638767199 /nfs/dbraw/zinc/76/71/99/638767199.db2.gz FSEPFJPNJSTDCD-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000866193988 638767200 /nfs/dbraw/zinc/76/72/00/638767200.db2.gz FSEPFJPNJSTDCD-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207955 638770799 /nfs/dbraw/zinc/77/07/99/638770799.db2.gz RYJRNHUYSPJNPO-ZYHUDNBSSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866581882 638848579 /nfs/dbraw/zinc/84/85/79/638848579.db2.gz BPQQEIZBJFHSMR-IPYPFGDCSA-N 1 1 289.379 2.682 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+](CCCCO)C2CC2)ccc1Cl ZINC000122653786 639301289 /nfs/dbraw/zinc/30/12/89/639301289.db2.gz LBOAEVNIZJJPPZ-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034470 641566075 /nfs/dbraw/zinc/56/60/75/641566075.db2.gz OTNVZXUDGJFEBL-GHMZBOCLSA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034470 641566082 /nfs/dbraw/zinc/56/60/82/641566082.db2.gz OTNVZXUDGJFEBL-GHMZBOCLSA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034514 641566328 /nfs/dbraw/zinc/56/63/28/641566328.db2.gz PJSWNVCXHKKSRP-GHMZBOCLSA-N 1 1 295.358 2.867 20 5 CFBDMO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089889 641623667 /nfs/dbraw/zinc/62/36/67/641623667.db2.gz HLQWKLDRSMROSA-IUPBHXKESA-N 1 1 282.315 2.952 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nccs1 ZINC000873016375 641985056 /nfs/dbraw/zinc/98/50/56/641985056.db2.gz IPXVCDLLPFWGFV-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000876547657 642915654 /nfs/dbraw/zinc/91/56/54/642915654.db2.gz GGKRBCAQEXYSRA-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000876547657 642915658 /nfs/dbraw/zinc/91/56/58/642915658.db2.gz GGKRBCAQEXYSRA-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876609939 642943931 /nfs/dbraw/zinc/94/39/31/642943931.db2.gz UHKPIORKAOQORL-ZDUSSCGKSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530708 643335593 /nfs/dbraw/zinc/33/55/93/643335593.db2.gz GDNMGPINBGDDIB-WFASDCNBSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530708 643335597 /nfs/dbraw/zinc/33/55/97/643335597.db2.gz GDNMGPINBGDDIB-WFASDCNBSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530708 643335603 /nfs/dbraw/zinc/33/56/03/643335603.db2.gz GDNMGPINBGDDIB-WFASDCNBSA-N 1 1 291.395 2.675 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561777 643360699 /nfs/dbraw/zinc/36/06/99/643360699.db2.gz QPTSKFWKFQUMPG-UKRRQHHQSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000877596223 643387675 /nfs/dbraw/zinc/38/76/75/643387675.db2.gz JZRYMFIWJCTMRG-AWEZNQCLSA-N 1 1 291.395 2.738 20 5 CFBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000877701208 643464166 /nfs/dbraw/zinc/46/41/66/643464166.db2.gz NFCHIVLEQZNKBF-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000877701208 643464171 /nfs/dbraw/zinc/46/41/71/643464171.db2.gz NFCHIVLEQZNKBF-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000877701208 643464175 /nfs/dbraw/zinc/46/41/75/643464175.db2.gz NFCHIVLEQZNKBF-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000877701516 643464722 /nfs/dbraw/zinc/46/47/22/643464722.db2.gz ZBJQRRIQELURKR-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000877736874 643497713 /nfs/dbraw/zinc/49/77/13/643497713.db2.gz BKXPSTVIUOWOCS-OLZOCXBDSA-N 1 1 278.377 2.780 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877737720 643499908 /nfs/dbraw/zinc/49/99/08/643499908.db2.gz HWOJISQIJJHMFJ-OLZOCXBDSA-N 1 1 278.377 2.780 20 5 CFBDMO C=C/C=C/CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251652 643807797 /nfs/dbraw/zinc/80/77/97/643807797.db2.gz PQVHPCRKKBUZEX-OOPCZODUSA-N 1 1 288.351 2.608 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000878920790 644076391 /nfs/dbraw/zinc/07/63/91/644076391.db2.gz VZLIXSQIRSDBMR-SWLSCSKDSA-N 1 1 292.379 2.886 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879317871 644222466 /nfs/dbraw/zinc/22/24/66/644222466.db2.gz MUQCIZYWHKUVEU-FZMZJTMJSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879317871 644222471 /nfs/dbraw/zinc/22/24/71/644222471.db2.gz MUQCIZYWHKUVEU-FZMZJTMJSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563540 644322803 /nfs/dbraw/zinc/32/28/03/644322803.db2.gz CIQNNRBYRSOIBZ-RYUDHWBXSA-N 1 1 296.367 2.919 20 5 CFBDMO COCC1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000880184714 644568033 /nfs/dbraw/zinc/56/80/33/644568033.db2.gz QHLATMZFSCWWDE-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237991 644601097 /nfs/dbraw/zinc/60/10/97/644601097.db2.gz MJAABWOQLWXMJO-LLVKDONJSA-N 1 1 282.315 2.785 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880300546 644640851 /nfs/dbraw/zinc/64/08/51/644640851.db2.gz GUHDMXXEUUIOSF-GFCCVEGCSA-N 1 1 252.289 2.695 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000882959109 645528436 /nfs/dbraw/zinc/52/84/36/645528436.db2.gz VFLFNXTXLXKERE-GFCCVEGCSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000882960425 645530066 /nfs/dbraw/zinc/53/00/66/645530066.db2.gz JLEPILOJTSWOAK-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO CC(C)CC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130698056 645554646 /nfs/dbraw/zinc/55/46/46/645554646.db2.gz PWPWNCNZSJEWRW-LBPRGKRZSA-N 1 1 266.345 2.649 20 5 CFBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886004261 646809025 /nfs/dbraw/zinc/80/90/25/646809025.db2.gz VYOTYXYWUFRWMC-CQSZACIVSA-N 1 1 293.367 2.771 20 5 CFBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018937 646821395 /nfs/dbraw/zinc/82/13/95/646821395.db2.gz JXRXUSVZPXPMBW-OLZOCXBDSA-N 1 1 293.367 2.625 20 5 CFBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018937 646821400 /nfs/dbraw/zinc/82/14/00/646821400.db2.gz JXRXUSVZPXPMBW-OLZOCXBDSA-N 1 1 293.367 2.625 20 5 CFBDMO COc1ccccc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886104714 646874294 /nfs/dbraw/zinc/87/42/94/646874294.db2.gz IYEQSULMWGSQSH-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886106956 646875040 /nfs/dbraw/zinc/87/50/40/646875040.db2.gz HJKRDJAJPNBBLZ-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886122425 646881683 /nfs/dbraw/zinc/88/16/83/646881683.db2.gz AURPNCFSRQCBRJ-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO CCc1cnccc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886123139 646882090 /nfs/dbraw/zinc/88/20/90/646882090.db2.gz RVFVGQLBNIGKLZ-NSHDSACASA-N 1 1 286.335 2.798 20 5 CFBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000886168715 646904808 /nfs/dbraw/zinc/90/48/08/646904808.db2.gz XOSWJOLFYOZZFZ-JSGCOSHPSA-N 1 1 293.367 2.627 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000886297398 646958276 /nfs/dbraw/zinc/95/82/76/646958276.db2.gz QCJOJYSJBTXABL-UHFFFAOYSA-N 1 1 271.267 2.611 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000886297398 646958278 /nfs/dbraw/zinc/95/82/78/646958278.db2.gz QCJOJYSJBTXABL-UHFFFAOYSA-N 1 1 271.267 2.611 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000886347014 646981539 /nfs/dbraw/zinc/98/15/39/646981539.db2.gz WIKDUAMMQXSLQW-TXEJJXNPSA-N 1 1 285.303 2.702 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886522560 647027530 /nfs/dbraw/zinc/02/75/30/647027530.db2.gz MFAIBRDERKKJNY-CQSZACIVSA-N 1 1 299.330 2.776 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886559653 647047181 /nfs/dbraw/zinc/04/71/81/647047181.db2.gz AMDRJRGLRKYYSO-SDDRHHMPSA-N 1 1 278.377 2.951 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815672 647149289 /nfs/dbraw/zinc/14/92/89/647149289.db2.gz HXYBGIMZOHXOSN-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886836139 647157385 /nfs/dbraw/zinc/15/73/85/647157385.db2.gz VWOJQNNHNPNDQI-NHYWBVRUSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1c(-c2noc([C@@H](C)[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000924093582 647921471 /nfs/dbraw/zinc/92/14/71/647921471.db2.gz UEJQMSFEAOSPJR-SECBINFHSA-N 1 1 276.296 2.576 20 5 CFBDMO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)on1 ZINC000926273090 648453542 /nfs/dbraw/zinc/45/35/42/648453542.db2.gz ZIKHFHSXUYPRKB-JTQLQIEISA-N 1 1 291.307 2.751 20 5 CFBDMO CCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000929383872 649042932 /nfs/dbraw/zinc/04/29/32/649042932.db2.gz XNOGBLJJGGQMJN-LBPRGKRZSA-N 1 1 266.341 2.745 20 5 CFBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000929383872 649042935 /nfs/dbraw/zinc/04/29/35/649042935.db2.gz XNOGBLJJGGQMJN-LBPRGKRZSA-N 1 1 266.341 2.745 20 5 CFBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1F ZINC000930477135 649257099 /nfs/dbraw/zinc/25/70/99/649257099.db2.gz XWGMBNLAWZUXOD-SSDOTTSWSA-N 1 1 291.120 2.516 20 5 CFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932126739 649543876 /nfs/dbraw/zinc/54/38/76/649543876.db2.gz IYYYYRYESLVUGW-VXGBXAGGSA-N 1 1 263.341 2.858 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C)CC1 ZINC000932344941 649580814 /nfs/dbraw/zinc/58/08/14/649580814.db2.gz DNILZGRKXVWEKC-VXGBXAGGSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C3CCC3)CC2)cs1 ZINC000932821235 649646326 /nfs/dbraw/zinc/64/63/26/649646326.db2.gz IIKGEQFDVLUAFT-UHFFFAOYSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000934336906 649776396 /nfs/dbraw/zinc/77/63/96/649776396.db2.gz HOUQWCFZRDIJHE-TUKIKUTGSA-N 1 1 276.336 2.503 20 5 CFBDMO Cc1cccc(C2=CC[N@H+](CC[N+](=O)[O-])CC2)c1C ZINC000934844991 649841569 /nfs/dbraw/zinc/84/15/69/649841569.db2.gz DCHBFTAARHDBLP-UHFFFAOYSA-N 1 1 260.337 2.669 20 5 CFBDMO Cc1cccc(C2=CC[N@@H+](CC[N+](=O)[O-])CC2)c1C ZINC000934844991 649841573 /nfs/dbraw/zinc/84/15/73/649841573.db2.gz DCHBFTAARHDBLP-UHFFFAOYSA-N 1 1 260.337 2.669 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000891448052 770613683 /nfs/dbraw/zinc/61/36/83/770613683.db2.gz XWDBAOBMOVJHDC-JTQLQIEISA-N 1 1 280.324 2.541 20 5 CFBDMO C[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204583 775128663 /nfs/dbraw/zinc/12/86/63/775128663.db2.gz SIAOGNYJTFZPEU-ZDUSSCGKSA-N 1 1 286.331 2.969 20 5 CFBDMO Cc1[nH]c(CNc2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000724788737 775244884 /nfs/dbraw/zinc/24/48/84/775244884.db2.gz VBZWATWZDSRJCM-UHFFFAOYSA-N 1 1 264.260 2.686 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001225382718 775437295 /nfs/dbraw/zinc/43/72/95/775437295.db2.gz 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C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000700426671 780688929 /nfs/dbraw/zinc/68/89/29/780688929.db2.gz OATKVTSPEQDTFP-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000694429938 780910893 /nfs/dbraw/zinc/91/08/93/780910893.db2.gz HSOUUMJSNSKRSI-NEPJUHHUSA-N 1 1 270.716 2.515 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)C2)cc1F ZINC001229894758 781049172 /nfs/dbraw/zinc/04/91/72/781049172.db2.gz KNXDIDYQDDLLFA-SNVBAGLBSA-N 1 1 268.288 2.515 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000706398629 781171587 /nfs/dbraw/zinc/17/15/87/781171587.db2.gz JNZYVSOMKBLNBV-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594519869 349440150 /nfs/dbraw/zinc/44/01/50/349440150.db2.gz MEVZPXZSMGOBCZ-JKSUJKDBSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594519869 349440152 /nfs/dbraw/zinc/44/01/52/349440152.db2.gz MEVZPXZSMGOBCZ-JKSUJKDBSA-N 1 1 289.379 2.701 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594599425 349457097 /nfs/dbraw/zinc/45/70/97/349457097.db2.gz JSAGKPDFFGSYOA-ZIAGYGMSSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000595026003 349554854 /nfs/dbraw/zinc/55/48/54/349554854.db2.gz MCUNCZKMBQIQAW-YPMHNXCESA-N 1 1 286.335 2.977 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000595033035 349557837 /nfs/dbraw/zinc/55/78/37/349557837.db2.gz ADOWZPDHABYEAT-VHSXEESVSA-N 1 1 290.323 2.738 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nccn1C ZINC000595110224 349583116 /nfs/dbraw/zinc/58/31/16/349583116.db2.gz YZYNDQKZVLOWFZ-GXFFZTMASA-N 1 1 286.335 2.666 20 5 CFBDMO Cc1noc(C[N@@H+](C)CC2CCCC2)c1[N+](=O)[O-] ZINC000595297069 349594882 /nfs/dbraw/zinc/59/48/82/349594882.db2.gz PJECLEQIIREEIJ-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO 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290.363 2.933 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2CC2CCC2)n1 ZINC000595869393 349757393 /nfs/dbraw/zinc/75/73/93/349757393.db2.gz ATTSDRAEQFPHRM-CQSZACIVSA-N 1 1 292.383 2.836 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871970 349758317 /nfs/dbraw/zinc/75/83/17/349758317.db2.gz JFLNFXWICIPOQH-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871970 349758318 /nfs/dbraw/zinc/75/83/18/349758318.db2.gz JFLNFXWICIPOQH-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000595872549 349758471 /nfs/dbraw/zinc/75/84/71/349758471.db2.gz VGWRPYGLNISQQR-AWEZNQCLSA-N 1 1 292.383 2.836 20 5 CFBDMO CCC[N@H+](C)CC(C)(C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595872805 349758800 /nfs/dbraw/zinc/75/88/00/349758800.db2.gz HEBQJTTTYROHHU-UHFFFAOYSA-N 1 1 293.411 2.847 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595872805 349758803 /nfs/dbraw/zinc/75/88/03/349758803.db2.gz HEBQJTTTYROHHU-UHFFFAOYSA-N 1 1 293.411 2.847 20 5 CFBDMO COc1cc(NC[C@@H]2CCC[N@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596091080 349792055 /nfs/dbraw/zinc/79/20/55/349792055.db2.gz HEICSYLHTGQANF-VIFPVBQESA-N 1 1 299.758 2.763 20 5 CFBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000596184780 349820936 /nfs/dbraw/zinc/82/09/36/349820936.db2.gz ISVOUTZDJGBORU-UHFFFAOYSA-N 1 1 267.354 2.639 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596269615 349848531 /nfs/dbraw/zinc/84/85/31/349848531.db2.gz VNQYHTDPPBLQHP-LLVKDONJSA-N 1 1 281.331 2.654 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269616 349848939 /nfs/dbraw/zinc/84/89/39/349848939.db2.gz VNQYHTDPPBLQHP-NSHDSACASA-N 1 1 281.331 2.654 20 5 CFBDMO Cn1c[nH+]cc1CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000596265209 349846937 /nfs/dbraw/zinc/84/69/37/349846937.db2.gz GYWQKEZMDCVHNI-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000596307381 349857840 /nfs/dbraw/zinc/85/78/40/349857840.db2.gz LNISFADRROTOMZ-VIFPVBQESA-N 1 1 298.774 2.928 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000596306804 349858230 /nfs/dbraw/zinc/85/82/30/349858230.db2.gz IGYOVUNUEOIHOW-SECBINFHSA-N 1 1 269.370 2.941 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596325589 349864041 /nfs/dbraw/zinc/86/40/41/349864041.db2.gz BNYQDRUWRSNSBC-LBPRGKRZSA-N 1 1 263.341 2.880 20 5 CFBDMO C[N@H+](CCn1cccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280064 529940419 /nfs/dbraw/zinc/94/04/19/529940419.db2.gz SHQYKDKYQYTDDW-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCn1cccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280064 529940421 /nfs/dbraw/zinc/94/04/21/529940421.db2.gz SHQYKDKYQYTDDW-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007811807 232172323 /nfs/dbraw/zinc/17/23/23/232172323.db2.gz DCVPVUKTNVTSGL-RYUDHWBXSA-N 1 1 291.351 2.511 20 5 CFBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596518893 349928690 /nfs/dbraw/zinc/92/86/90/349928690.db2.gz YWZULSQBSLFSJO-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596543354 349936831 /nfs/dbraw/zinc/93/68/31/349936831.db2.gz SBRLCEPPPZWHBP-UHFFFAOYSA-N 1 1 266.345 2.522 20 5 CFBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596551641 349939350 /nfs/dbraw/zinc/93/93/50/349939350.db2.gz HPGCMYKEEAVUQF-AWEZNQCLSA-N 1 1 298.346 2.676 20 5 CFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000046062917 346418659 /nfs/dbraw/zinc/41/86/59/346418659.db2.gz FHGHKTHJBPOLTJ-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO Cc1c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000051854314 346507397 /nfs/dbraw/zinc/50/73/97/346507397.db2.gz NDLCLFUAJSSNIK-CYBMUJFWSA-N 1 1 290.363 2.904 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075765678 347097591 /nfs/dbraw/zinc/09/75/91/347097591.db2.gz GWZLQPWCBZPJEQ-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051159011 346500439 /nfs/dbraw/zinc/50/04/39/346500439.db2.gz HQUSSPMTNWTHDO-BETUJISGSA-N 1 1 278.352 2.952 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053420833 346546392 /nfs/dbraw/zinc/54/63/92/346546392.db2.gz XKHDETSJBRFRQF-LLVKDONJSA-N 1 1 280.324 2.541 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000064010116 346714041 /nfs/dbraw/zinc/71/40/41/346714041.db2.gz WIPNOKXPJMWZKQ-UHFFFAOYSA-N 1 1 291.395 2.901 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075892212 347105884 /nfs/dbraw/zinc/10/58/84/347105884.db2.gz GMRTVQWXOCVQGO-PHIMTYICSA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCCC[C@@H]1C ZINC000076744668 347150945 /nfs/dbraw/zinc/15/09/45/347150945.db2.gz VCVMYVBXAYTRJQ-RYUDHWBXSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076800494 347155197 /nfs/dbraw/zinc/15/51/97/347155197.db2.gz YIIOHZFFFBVDAD-BETUJISGSA-N 1 1 292.383 2.770 20 5 CFBDMO Cc1ccnc(N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000078455478 347253783 /nfs/dbraw/zinc/25/37/83/347253783.db2.gz SFDXYZHJCLNWCM-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000078332805 347241915 /nfs/dbraw/zinc/24/19/15/347241915.db2.gz OOZUUUPPLRLYID-RISCZKNCSA-N 1 1 295.358 2.900 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000078526996 347259789 /nfs/dbraw/zinc/25/97/89/347259789.db2.gz IIJOEZCVZJFWRL-AWEZNQCLSA-N 1 1 290.367 2.666 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)nc1 ZINC000078526464 347260139 /nfs/dbraw/zinc/26/01/39/347260139.db2.gz JDBMKNJMABHIFN-CYBMUJFWSA-N 1 1 290.367 2.666 20 5 CFBDMO Cc1cnc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000078655545 347267303 /nfs/dbraw/zinc/26/73/03/347267303.db2.gz YOGWYKLPAZTLTK-UHFFFAOYSA-N 1 1 298.346 2.726 20 5 CFBDMO Cc1cnc(NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000078655698 347267379 /nfs/dbraw/zinc/26/73/79/347267379.db2.gz VUXOVHJUCPSUGY-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168337 347448878 /nfs/dbraw/zinc/44/88/78/347448878.db2.gz HFTJDKZFOFCFID-UHFFFAOYSA-N 1 1 261.281 2.720 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000091478061 347589391 /nfs/dbraw/zinc/58/93/91/347589391.db2.gz FCCVDFOBMGEFBW-UHFFFAOYSA-N 1 1 251.330 2.737 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000091484282 347590728 /nfs/dbraw/zinc/59/07/28/347590728.db2.gz OKHPIOWYHBZYJW-FZMZJTMJSA-N 1 1 263.341 2.514 20 5 CFBDMO CC(C)c1ccc(C[N@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093481537 347676264 /nfs/dbraw/zinc/67/62/64/347676264.db2.gz YKJMAVJSJGLYBW-GFCCVEGCSA-N 1 1 280.368 2.921 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482470 347676316 /nfs/dbraw/zinc/67/63/16/347676316.db2.gz SUDPMHIEEOMRRU-OCCSQVGLSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122863958 347816874 /nfs/dbraw/zinc/81/68/74/347816874.db2.gz POBSZOAHIJUSJP-VXGBXAGGSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000286342526 348347008 /nfs/dbraw/zinc/34/70/08/348347008.db2.gz CEUFFVKJNABRDV-UHFFFAOYSA-N 1 1 286.335 2.681 20 5 CFBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000312796973 348420157 /nfs/dbraw/zinc/42/01/57/348420157.db2.gz QJGLFCTVMMEYAY-GHMZBOCLSA-N 1 1 296.758 2.682 20 5 CFBDMO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389798 348440639 /nfs/dbraw/zinc/44/06/39/348440639.db2.gz XNROHDRYFHBZBL-JSGCOSHPSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389798 348440640 /nfs/dbraw/zinc/44/06/40/348440640.db2.gz XNROHDRYFHBZBL-JSGCOSHPSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328190781 348440930 /nfs/dbraw/zinc/44/09/30/348440930.db2.gz PIMJMECDMXWNQD-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO COc1cc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1C ZINC000314663891 348427048 /nfs/dbraw/zinc/42/70/48/348427048.db2.gz PAZQXHDVIASTDV-GFCCVEGCSA-N 1 1 293.367 2.666 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000402589432 348582176 /nfs/dbraw/zinc/58/21/76/348582176.db2.gz KFKJGSGZOFOBND-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000402589432 348582179 /nfs/dbraw/zinc/58/21/79/348582179.db2.gz KFKJGSGZOFOBND-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc(C[N@@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000271006432 190904014 /nfs/dbraw/zinc/90/40/14/190904014.db2.gz NMMJDUBDYWRSNP-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO Cc1cc(N[C@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000588067696 348769849 /nfs/dbraw/zinc/76/98/49/348769849.db2.gz JURBRAHCFKQAET-LBPRGKRZSA-N 1 1 272.308 2.527 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495960 348835792 /nfs/dbraw/zinc/83/57/92/348835792.db2.gz RMGCLRJOWXNQEX-LLVKDONJSA-N 1 1 294.351 2.859 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000589501621 348836101 /nfs/dbraw/zinc/83/61/01/348836101.db2.gz TUKWAWOHPCIQAL-QWRGUYRKSA-N 1 1 292.335 2.612 20 5 CFBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCC1 ZINC000589501849 348837256 /nfs/dbraw/zinc/83/72/56/348837256.db2.gz GMYHXYRMZOZOCX-UHFFFAOYSA-N 1 1 292.335 2.756 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC=C(C)CC2)c1 ZINC000589502023 348837305 /nfs/dbraw/zinc/83/73/05/348837305.db2.gz CMVBGQLLFORTKF-UHFFFAOYSA-N 1 1 290.319 2.533 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000589502023 348837306 /nfs/dbraw/zinc/83/73/06/348837306.db2.gz CMVBGQLLFORTKF-UHFFFAOYSA-N 1 1 290.319 2.533 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000589584268 348839375 /nfs/dbraw/zinc/83/93/75/348839375.db2.gz OAPIZDUTVZRNKS-IUCAKERBSA-N 1 1 267.354 2.693 20 5 CFBDMO CC[C@H]([NH2+]Cc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000588924865 348803740 /nfs/dbraw/zinc/80/37/40/348803740.db2.gz MJCPJYBJWQIKDI-AWEZNQCLSA-N 1 1 274.324 2.569 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000590970292 348974306 /nfs/dbraw/zinc/97/43/06/348974306.db2.gz IBIHHTLPXZSPFU-GJZGRUSLSA-N 1 1 288.347 2.596 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000592059060 349077717 /nfs/dbraw/zinc/07/77/17/349077717.db2.gz MOEJBPUEVLNWGY-ZDUSSCGKSA-N 1 1 278.352 2.843 20 5 CFBDMO C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182146 349095962 /nfs/dbraw/zinc/09/59/62/349095962.db2.gz KEYHXIBCOCVOKO-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC23CCCC3)cc1 ZINC000593040659 349192025 /nfs/dbraw/zinc/19/20/25/349192025.db2.gz XVXGPUYFJOIGLW-UHFFFAOYSA-N 1 1 276.336 2.992 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057253 349197649 /nfs/dbraw/zinc/19/76/49/349197649.db2.gz DURSYOOLSLXPHN-DZGCQCFKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057253 349197651 /nfs/dbraw/zinc/19/76/51/349197651.db2.gz DURSYOOLSLXPHN-DZGCQCFKSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317800 349246862 /nfs/dbraw/zinc/24/68/62/349246862.db2.gz YOYINBVHOVRYFV-WFASDCNBSA-N 1 1 291.395 2.853 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000593647009 349303615 /nfs/dbraw/zinc/30/36/15/349303615.db2.gz VCAHWZMRAFGCHX-UHFFFAOYSA-N 1 1 297.374 2.801 20 5 CFBDMO C[NH+](C)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594500348 349432302 /nfs/dbraw/zinc/43/23/02/349432302.db2.gz PDPNNVWXZMFSQX-CQSZACIVSA-N 1 1 289.379 2.656 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000104687535 186014381 /nfs/dbraw/zinc/01/43/81/186014381.db2.gz WQXOINOZJGKHGU-SNVBAGLBSA-N 1 1 252.314 2.834 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1cnccn1 ZINC000271324417 191074761 /nfs/dbraw/zinc/07/47/61/191074761.db2.gz KMJMYTNNFZEIFP-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@@H]([NH3+])c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414806553 233359780 /nfs/dbraw/zinc/35/97/80/233359780.db2.gz HRBCJDORTVBVOX-GFCCVEGCSA-N 1 1 285.347 2.904 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000598649394 350302128 /nfs/dbraw/zinc/30/21/28/350302128.db2.gz VDYFBNYGJDYTHI-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000598649394 350302131 /nfs/dbraw/zinc/30/21/31/350302131.db2.gz VDYFBNYGJDYTHI-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598649294 350302594 /nfs/dbraw/zinc/30/25/94/350302594.db2.gz SXTNHJDYPWOWOR-CQSZACIVSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979180 350353186 /nfs/dbraw/zinc/35/31/86/350353186.db2.gz ZEOLHPTYPWTLBK-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599165234 350387452 /nfs/dbraw/zinc/38/74/52/350387452.db2.gz OIKSOPVZNTWVNN-LLVKDONJSA-N 1 1 294.330 2.558 20 5 CFBDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166729 350388080 /nfs/dbraw/zinc/38/80/80/350388080.db2.gz ZFDDQJFWVLXRMS-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599553309 350455616 /nfs/dbraw/zinc/45/56/16/350455616.db2.gz ZICKJQSTXNHVCC-UHFFFAOYSA-N 1 1 275.255 2.512 20 5 CFBDMO Cc1noc(C[N@H+]2CCCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599553309 350455620 /nfs/dbraw/zinc/45/56/20/350455620.db2.gz ZICKJQSTXNHVCC-UHFFFAOYSA-N 1 1 275.255 2.512 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868391 186143545 /nfs/dbraw/zinc/14/35/45/186143545.db2.gz PIUJFWSRZSJOKF-HUUCEWRRSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c1[N+](=O)[O-] ZINC000599670980 350477255 /nfs/dbraw/zinc/47/72/55/350477255.db2.gz MSDWISOLKOAEOK-GWCFXTLKSA-N 1 1 265.313 2.656 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1[N+](=O)[O-] ZINC000599670980 350477259 /nfs/dbraw/zinc/47/72/59/350477259.db2.gz MSDWISOLKOAEOK-GWCFXTLKSA-N 1 1 265.313 2.656 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599673122 350478641 /nfs/dbraw/zinc/47/86/41/350478641.db2.gz KOJZLZQBDAXUDT-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000600197958 350537682 /nfs/dbraw/zinc/53/76/82/350537682.db2.gz QJKRBGKOHOYBIA-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO Cc1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000600157622 350523581 /nfs/dbraw/zinc/52/35/81/350523581.db2.gz YOFXLRMXWXMPGE-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO CC(C)c1[nH+]ccn1CC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600530590 350565518 /nfs/dbraw/zinc/56/55/18/350565518.db2.gz BKIDPCIXSCCCBU-UHFFFAOYSA-N 1 1 291.282 2.937 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCn2cc[nH+]c2C2CC2)cc1 ZINC000600609999 350579861 /nfs/dbraw/zinc/57/98/61/350579861.db2.gz BPXAUYJPEVDELT-UHFFFAOYSA-N 1 1 273.292 2.748 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109589 350670614 /nfs/dbraw/zinc/67/06/14/350670614.db2.gz XBJWWRILILBZBB-LLVKDONJSA-N 1 1 296.346 2.661 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109590 350670791 /nfs/dbraw/zinc/67/07/91/350670791.db2.gz XBJWWRILILBZBB-NSHDSACASA-N 1 1 296.346 2.661 20 5 CFBDMO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000601116041 350672108 /nfs/dbraw/zinc/67/21/08/350672108.db2.gz MZVRDDOASBLEMD-SNVBAGLBSA-N 1 1 267.354 2.553 20 5 CFBDMO CCOc1cc(NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048893 186348470 /nfs/dbraw/zinc/34/84/70/186348470.db2.gz SNMIUBMYIMZLSF-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@@H](F)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601168985 350687275 /nfs/dbraw/zinc/68/72/75/350687275.db2.gz HPHWJCWARVKTCJ-SECBINFHSA-N 1 1 263.272 2.725 20 5 CFBDMO CC1(C)OCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601169818 350687287 /nfs/dbraw/zinc/68/72/87/350687287.db2.gz GMNFBWGDOFZOAM-CQSZACIVSA-N 1 1 287.319 2.544 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccccc1[N+](=O)[O-] ZINC000601191838 350692993 /nfs/dbraw/zinc/69/29/93/350692993.db2.gz OOTVSLMEJKHMGI-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1CCC1 ZINC000111298178 186391540 /nfs/dbraw/zinc/39/15/40/186391540.db2.gz PAOFXWRYWPCGML-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436040 350881668 /nfs/dbraw/zinc/88/16/68/350881668.db2.gz UITUXHXQLPTIST-CQSZACIVSA-N 1 1 286.335 2.665 20 5 CFBDMO C[C@@H](CF)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664270 350966301 /nfs/dbraw/zinc/96/63/01/350966301.db2.gz YOKZBVOCEFHNFR-YFKPBYRVSA-N 1 1 297.149 2.866 20 5 CFBDMO CC(C)c1ccc(C[NH2+]C2(C)COC2)cc1[N+](=O)[O-] ZINC000602740931 351010188 /nfs/dbraw/zinc/01/01/88/351010188.db2.gz RNGCNIZLKFOKNG-UHFFFAOYSA-N 1 1 264.325 2.597 20 5 CFBDMO CCC(CC)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771715 351020331 /nfs/dbraw/zinc/02/03/31/351020331.db2.gz LVANSSSRRKHOTR-UHFFFAOYSA-N 1 1 280.372 2.753 20 5 CFBDMO C[C@H]1OCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796778 351029338 /nfs/dbraw/zinc/02/93/38/351029338.db2.gz FTFNBHHPAYFPST-OCCSQVGLSA-N 1 1 290.363 2.984 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000602831962 351039752 /nfs/dbraw/zinc/03/97/52/351039752.db2.gz MVTGPTRHNQZFLK-CHWSQXEVSA-N 1 1 292.383 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000602848036 351043854 /nfs/dbraw/zinc/04/38/54/351043854.db2.gz CTZKQAFANMBTMI-CQSZACIVSA-N 1 1 292.383 2.754 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000602741853 351010802 /nfs/dbraw/zinc/01/08/02/351010802.db2.gz WJIHHUJNLPVFSQ-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602743616 351011713 /nfs/dbraw/zinc/01/17/13/351011713.db2.gz VTRIZUUJVKZFOA-CYBMUJFWSA-N 1 1 292.383 2.731 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982247 351083795 /nfs/dbraw/zinc/08/37/95/351083795.db2.gz PMTSZOUVKJCMDI-SWLSCSKDSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000603857954 351186973 /nfs/dbraw/zinc/18/69/73/351186973.db2.gz QLHVCHSHSLHVSN-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604379693 351209408 /nfs/dbraw/zinc/20/94/08/351209408.db2.gz GIAMTXYSDRQTBQ-FRRDWIJNSA-N 1 1 292.383 2.768 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433483 351212290 /nfs/dbraw/zinc/21/22/90/351212290.db2.gz LNHSGCXHXVJPNH-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420533 351564706 /nfs/dbraw/zinc/56/47/06/351564706.db2.gz OCVBFUVQSCVNLE-IUODEOHRSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420533 351564712 /nfs/dbraw/zinc/56/47/12/351564712.db2.gz OCVBFUVQSCVNLE-IUODEOHRSA-N 1 1 289.379 2.730 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000610447606 351566411 /nfs/dbraw/zinc/56/64/11/351566411.db2.gz UJHBWSFMTQQKDD-UHFFFAOYSA-N 1 1 278.356 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762735 351605247 /nfs/dbraw/zinc/60/52/47/351605247.db2.gz RPUOZSSIDFGOJQ-GWCFXTLKSA-N 1 1 262.309 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762735 351605252 /nfs/dbraw/zinc/60/52/52/351605252.db2.gz RPUOZSSIDFGOJQ-GWCFXTLKSA-N 1 1 262.309 2.588 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222067 351652555 /nfs/dbraw/zinc/65/25/55/351652555.db2.gz WNUYNDIPNRRCQN-NXEZZACHSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222067 351652557 /nfs/dbraw/zinc/65/25/57/351652557.db2.gz WNUYNDIPNRRCQN-NXEZZACHSA-N 1 1 298.774 2.562 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254400 351657579 /nfs/dbraw/zinc/65/75/79/351657579.db2.gz KUWWALYGMDIGNP-LLVKDONJSA-N 1 1 294.351 2.842 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254880 351658767 /nfs/dbraw/zinc/65/87/67/351658767.db2.gz WEOGKZLRGTWPMS-NSHDSACASA-N 1 1 294.351 2.986 20 5 CFBDMO CC(C)[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611254842 351658814 /nfs/dbraw/zinc/65/88/14/351658814.db2.gz JAVWUCDRENJJCB-UHFFFAOYSA-N 1 1 274.324 2.729 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611419333 351687224 /nfs/dbraw/zinc/68/72/24/351687224.db2.gz PCMYYHZGXLZEJC-GFCCVEGCSA-N 1 1 292.335 2.596 20 5 CFBDMO CC(C)[C@H]1CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611419333 351687227 /nfs/dbraw/zinc/68/72/27/351687227.db2.gz PCMYYHZGXLZEJC-GFCCVEGCSA-N 1 1 292.335 2.596 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502466 351700355 /nfs/dbraw/zinc/70/03/55/351700355.db2.gz SRPXEELHISGOKD-NEPJUHHUSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502466 351700356 /nfs/dbraw/zinc/70/03/56/351700356.db2.gz SRPXEELHISGOKD-NEPJUHHUSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502468 351700450 /nfs/dbraw/zinc/70/04/50/351700450.db2.gz SRPXEELHISGOKD-RYUDHWBXSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502468 351700454 /nfs/dbraw/zinc/70/04/54/351700454.db2.gz SRPXEELHISGOKD-RYUDHWBXSA-N 1 1 282.315 2.654 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516453 351702630 /nfs/dbraw/zinc/70/26/30/351702630.db2.gz HQHBMUFCBDQCBW-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611298467 351665070 /nfs/dbraw/zinc/66/50/70/351665070.db2.gz VGSQHWTXCOODAX-NWDGAFQWSA-N 1 1 293.367 2.522 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616866 351715111 /nfs/dbraw/zinc/71/51/11/351715111.db2.gz QJUSWBPMXHATJE-ZDUSSCGKSA-N 1 1 292.383 2.750 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121943092 187006247 /nfs/dbraw/zinc/00/62/47/187006247.db2.gz GOVTXMBNRVAWQO-TUAOUCFPSA-N 1 1 291.351 2.795 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000122941679 187060848 /nfs/dbraw/zinc/06/08/48/187060848.db2.gz UWERNRBLYBGJRJ-VXGBXAGGSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123195182 187076889 /nfs/dbraw/zinc/07/68/89/187076889.db2.gz ALDVYAPTNXYSDX-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123195182 187076890 /nfs/dbraw/zinc/07/68/90/187076890.db2.gz ALDVYAPTNXYSDX-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123741773 187107193 /nfs/dbraw/zinc/10/71/93/187107193.db2.gz BLCAFDOTUKYIEI-FZMZJTMJSA-N 1 1 296.342 2.859 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000614776733 352119895 /nfs/dbraw/zinc/11/98/95/352119895.db2.gz KARIMMHBNKGSLA-MRXNPFEDSA-N 1 1 289.379 2.653 20 5 CFBDMO Cc1ccc(CNCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221789765 539880381 /nfs/dbraw/zinc/88/03/81/539880381.db2.gz NTJBNHKUIBLVSN-UHFFFAOYSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561403 191212586 /nfs/dbraw/zinc/21/25/86/191212586.db2.gz PTBAXYRFTJRYKP-NEPJUHHUSA-N 1 1 291.351 2.796 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000292291735 198233087 /nfs/dbraw/zinc/23/30/87/198233087.db2.gz CMHQLOUULXMGJS-LLVKDONJSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000292291735 198233089 /nfs/dbraw/zinc/23/30/89/198233089.db2.gz CMHQLOUULXMGJS-LLVKDONJSA-N 1 1 250.298 2.588 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2=CCCOC2)C2CC2)c1 ZINC000154294038 188134113 /nfs/dbraw/zinc/13/41/13/188134113.db2.gz YQFAQGTVSCUOPZ-UHFFFAOYSA-N 1 1 288.347 2.906 20 5 CFBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Cl ZINC000157373041 188312415 /nfs/dbraw/zinc/31/24/15/188312415.db2.gz BWKNEWFVLVWFMQ-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Cl ZINC000157373041 188312417 /nfs/dbraw/zinc/31/24/17/188312417.db2.gz BWKNEWFVLVWFMQ-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO CC[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788989 188394549 /nfs/dbraw/zinc/39/45/49/188394549.db2.gz ZOCKIMLIAPOXGM-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788989 188394551 /nfs/dbraw/zinc/39/45/51/188394551.db2.gz ZOCKIMLIAPOXGM-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000294904427 199241970 /nfs/dbraw/zinc/24/19/70/199241970.db2.gz RWNQLMDVGZTHGK-SNVBAGLBSA-N 1 1 292.314 2.801 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119505151 540467787 /nfs/dbraw/zinc/46/77/87/540467787.db2.gz IOKIJGMNMUEJKE-CYBMUJFWSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000296840121 200011727 /nfs/dbraw/zinc/01/17/27/200011727.db2.gz MVLGBPSSGCGKDA-DGCLKSJQSA-N 1 1 286.335 2.895 20 5 CFBDMO Cc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000298228175 200366884 /nfs/dbraw/zinc/36/68/84/200366884.db2.gz HAOXPZCAGKSUFJ-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177847566 189073925 /nfs/dbraw/zinc/07/39/25/189073925.db2.gz NTVDYKCKHXIBHI-NSHDSACASA-N 1 1 293.367 2.562 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000178240443 189100176 /nfs/dbraw/zinc/10/01/76/189100176.db2.gz BHDOPSFACOPKTP-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856897 189151149 /nfs/dbraw/zinc/15/11/49/189151149.db2.gz BQSOHTSLVNXKQO-AWEZNQCLSA-N 1 1 264.325 2.501 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CCOCC2)C2CC2)cc1 ZINC000179518238 189198841 /nfs/dbraw/zinc/19/88/41/189198841.db2.gz SAQCVAJVOLCDNL-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1cnc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301444985 201012075 /nfs/dbraw/zinc/01/20/75/201012075.db2.gz NUBQBJIBLXMJLB-UHFFFAOYSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1ccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301479001 201022723 /nfs/dbraw/zinc/02/27/23/201022723.db2.gz QSICMHNHINRCLZ-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000301527553 201048072 /nfs/dbraw/zinc/04/80/72/201048072.db2.gz IKLDUTFKCZWYKJ-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO COC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182068344 189313626 /nfs/dbraw/zinc/31/36/26/189313626.db2.gz CQFBKBKZKPTITD-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182068344 189313627 /nfs/dbraw/zinc/31/36/27/189313627.db2.gz CQFBKBKZKPTITD-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182126428 189314854 /nfs/dbraw/zinc/31/48/54/189314854.db2.gz LQBQBRBRPATBGU-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO CCc1[nH+]ccn1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000183867397 189369758 /nfs/dbraw/zinc/36/97/58/189369758.db2.gz JKBQBAVYHPPZRO-UHFFFAOYSA-N 1 1 279.271 2.550 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426473864 239228425 /nfs/dbraw/zinc/22/84/25/239228425.db2.gz RQBUKQJZVVIFKO-SWLSCSKDSA-N 1 1 276.336 2.848 20 5 CFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCCC1 ZINC000685948923 541457679 /nfs/dbraw/zinc/45/76/79/541457679.db2.gz XALBRWWSTFCDHG-UHFFFAOYSA-N 1 1 285.141 2.953 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330927 241052843 /nfs/dbraw/zinc/05/28/43/241052843.db2.gz USPMPWQFYMKBPR-ZETOZRRWSA-N 1 1 296.342 2.715 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639951 241159034 /nfs/dbraw/zinc/15/90/34/241159034.db2.gz OEGVJYRTZBONRW-NSHDSACASA-N 1 1 288.351 2.949 20 5 CFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000449585407 242051502 /nfs/dbraw/zinc/05/15/02/242051502.db2.gz LGWCTQPMNHNVDN-CQSZACIVSA-N 1 1 280.368 2.824 20 5 CFBDMO CCCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000449612324 242066890 /nfs/dbraw/zinc/06/68/90/242066890.db2.gz LFAURKABOTXQIH-UHFFFAOYSA-N 1 1 275.308 2.825 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449687787 242108160 /nfs/dbraw/zinc/10/81/60/242108160.db2.gz QYALKEQIBXCNSQ-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449756901 242139639 /nfs/dbraw/zinc/13/96/39/242139639.db2.gz CMGMJXCSWAWTEZ-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449756900 242140042 /nfs/dbraw/zinc/14/00/42/242140042.db2.gz CMGMJXCSWAWTEZ-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CN1CCCC1 ZINC000449766509 242146232 /nfs/dbraw/zinc/14/62/32/242146232.db2.gz BMKOKZNZOIJUFF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNCc1cccc([N+](=O)[O-])c1 ZINC000449782641 242158774 /nfs/dbraw/zinc/15/87/74/242158774.db2.gz LICZTZLFFFBNCY-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CC1(C)CCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449782641 242158779 /nfs/dbraw/zinc/15/87/79/242158779.db2.gz LICZTZLFFFBNCY-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000450218123 242312129 /nfs/dbraw/zinc/31/21/29/242312129.db2.gz SLMNNKODLVEFCF-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](SC)C1 ZINC000451320863 242804408 /nfs/dbraw/zinc/80/44/08/242804408.db2.gz BHUCPFGMEINLQR-LBPRGKRZSA-N 1 1 282.365 2.541 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452113541 243049132 /nfs/dbraw/zinc/04/91/32/243049132.db2.gz ILZYICOETZLZAL-HNNXBMFYSA-N 1 1 291.395 2.818 20 5 CFBDMO COc1cccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453374798 243536169 /nfs/dbraw/zinc/53/61/69/243536169.db2.gz SXZIECZNJUGSLD-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908293 203377357 /nfs/dbraw/zinc/37/73/57/203377357.db2.gz OJUPTKQNOHCPEA-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCCO ZINC000276355545 193296916 /nfs/dbraw/zinc/29/69/16/193296916.db2.gz JFFCZYWQCXHVBC-LBPRGKRZSA-N 1 1 266.341 2.669 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276583965 193389789 /nfs/dbraw/zinc/38/97/89/193389789.db2.gz PAYPDLQVCVHWIF-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000020047890 372223051 /nfs/dbraw/zinc/22/30/51/372223051.db2.gz POZCYILBRJUEDT-CQSZACIVSA-N 1 1 291.395 2.949 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000037647641 372681362 /nfs/dbraw/zinc/68/13/62/372681362.db2.gz POFWIEJQLKQQPC-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000049100005 373271879 /nfs/dbraw/zinc/27/18/79/373271879.db2.gz MJWMWXDEHFVIED-JTQLQIEISA-N 1 1 269.732 2.754 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000049937539 373332488 /nfs/dbraw/zinc/33/24/88/373332488.db2.gz KPASLZODRWUTKT-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000068451027 374029999 /nfs/dbraw/zinc/02/99/99/374029999.db2.gz SHLTWBOBLJGXQT-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO CSC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000289498589 197379194 /nfs/dbraw/zinc/37/91/94/197379194.db2.gz CBNNOOJJLCILBK-UHFFFAOYSA-N 1 1 280.393 2.965 20 5 CFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248332108 189946726 /nfs/dbraw/zinc/94/67/26/189946726.db2.gz FFNRGVHFFYJUJV-NEPJUHHUSA-N 1 1 294.351 2.713 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072601238 374268875 /nfs/dbraw/zinc/26/88/75/374268875.db2.gz HXQLGIJAXCACJP-NSHDSACASA-N 1 1 279.340 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)nc1 ZINC000072665104 374274649 /nfs/dbraw/zinc/27/46/49/374274649.db2.gz PLKZYKBZVZVKSA-OLZOCXBDSA-N 1 1 288.351 2.585 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000072874710 374297431 /nfs/dbraw/zinc/29/74/31/374297431.db2.gz GFLZPJQLJFXDKM-LLVKDONJSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897489 374299824 /nfs/dbraw/zinc/29/98/24/374299824.db2.gz LUVPBRJZQUJQQK-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897489 374299826 /nfs/dbraw/zinc/29/98/26/374299826.db2.gz LUVPBRJZQUJQQK-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076071850 374528304 /nfs/dbraw/zinc/52/83/04/374528304.db2.gz CKPZTSQOZQEBSW-ZDUSSCGKSA-N 1 1 266.366 2.922 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072193 374528838 /nfs/dbraw/zinc/52/88/38/374528838.db2.gz VKOJAVVFFDXLHQ-CYBMUJFWSA-N 1 1 266.366 2.922 20 5 CFBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000079844086 374631742 /nfs/dbraw/zinc/63/17/42/374631742.db2.gz GGNUCTAQZYUTEA-JTQLQIEISA-N 1 1 264.325 2.834 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686382 /nfs/dbraw/zinc/68/63/82/374686382.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686401 /nfs/dbraw/zinc/68/64/01/374686401.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686405 /nfs/dbraw/zinc/68/64/05/374686405.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439741 374776619 /nfs/dbraw/zinc/77/66/19/374776619.db2.gz HRUYSLUKOXSLEY-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439741 374776621 /nfs/dbraw/zinc/77/66/21/374776621.db2.gz HRUYSLUKOXSLEY-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957354 375073110 /nfs/dbraw/zinc/07/31/10/375073110.db2.gz WWAYETPSKNTSPB-NWANDNLSSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482249 375251915 /nfs/dbraw/zinc/25/19/15/375251915.db2.gz DXZQQGMGIGUSPR-YFOKADDASA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000093232544 375198369 /nfs/dbraw/zinc/19/83/69/375198369.db2.gz XFYKKZPZUHGPLQ-QWHCGFSZSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820054 375316532 /nfs/dbraw/zinc/31/65/32/375316532.db2.gz IMURSSXPSDOOMI-WMHVBEDNSA-N 1 1 288.347 2.720 20 5 CFBDMO CCC(CC)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534844 375264421 /nfs/dbraw/zinc/26/44/21/375264421.db2.gz ZLEQOQOAWCPBSP-CYBMUJFWSA-N 1 1 292.383 2.912 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCCCC2)cc1F ZINC000094774643 375377968 /nfs/dbraw/zinc/37/79/68/375377968.db2.gz VUNHXKQJMQAKJP-UHFFFAOYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000501784517 247106357 /nfs/dbraw/zinc/10/63/57/247106357.db2.gz HFDABCXPKIVMOF-STQMWFEESA-N 1 1 278.352 2.952 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000501791719 247107348 /nfs/dbraw/zinc/10/73/48/247107348.db2.gz BPKJAHWXCMDABL-OLZOCXBDSA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107829673 375810640 /nfs/dbraw/zinc/81/06/40/375810640.db2.gz GTGYSTNKGVWSMT-TZMCWYRMSA-N 1 1 261.325 2.634 20 5 CFBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000112983026 375980699 /nfs/dbraw/zinc/98/06/99/375980699.db2.gz MIBCLZWSEWOQKJ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CC(C)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655148 375940789 /nfs/dbraw/zinc/94/07/89/375940789.db2.gz OZKHUSYAOCVPOY-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C ZINC000263736438 190076176 /nfs/dbraw/zinc/07/61/76/190076176.db2.gz DHHNIZNVLPRFGI-LLVKDONJSA-N 1 1 293.367 2.900 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056409 377013078 /nfs/dbraw/zinc/01/30/78/377013078.db2.gz KSDSFXWBIIFGHM-QWRGUYRKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129625245 377454251 /nfs/dbraw/zinc/45/42/51/377454251.db2.gz KXPXDURCCWXKFL-SGMGOOAPSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129625245 377454262 /nfs/dbraw/zinc/45/42/62/377454262.db2.gz KXPXDURCCWXKFL-SGMGOOAPSA-N 1 1 289.379 2.871 20 5 CFBDMO CC[N@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265502508 190186825 /nfs/dbraw/zinc/18/68/25/190186825.db2.gz PRVBHXIBYHDAFN-CYBMUJFWSA-N 1 1 277.368 2.683 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCCCO)C2CC2)cc1 ZINC000130976074 377639948 /nfs/dbraw/zinc/63/99/48/377639948.db2.gz BDNBZXAAYZQWSM-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CC(C)OCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000265825283 190210438 /nfs/dbraw/zinc/21/04/38/190210438.db2.gz BOKPWJLKHHGRIK-UHFFFAOYSA-N 1 1 272.370 2.903 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000265825283 190210439 /nfs/dbraw/zinc/21/04/39/190210439.db2.gz BOKPWJLKHHGRIK-UHFFFAOYSA-N 1 1 272.370 2.903 20 5 CFBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336892 378119755 /nfs/dbraw/zinc/11/97/55/378119755.db2.gz TVLKDGYZLFLEQT-OLZOCXBDSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC1 ZINC000135254338 378105630 /nfs/dbraw/zinc/10/56/30/378105630.db2.gz UERPCEJOHDGUTB-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000148565031 378257657 /nfs/dbraw/zinc/25/76/57/378257657.db2.gz ADALXPRBADQAAS-WCBMZHEXSA-N 1 1 284.747 2.538 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153851220 378517283 /nfs/dbraw/zinc/51/72/83/378517283.db2.gz PSNHZTAIRSLENQ-DOMZBBRYSA-N 1 1 276.336 2.768 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330506830 378572646 /nfs/dbraw/zinc/57/26/46/378572646.db2.gz HMKHTNGCRXEPSP-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270844 378661443 /nfs/dbraw/zinc/66/14/43/378661443.db2.gz AVCSKJVTIPPCFY-JMSVASOKSA-N 1 1 278.352 2.576 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194735 378691991 /nfs/dbraw/zinc/69/19/91/378691991.db2.gz JGWASPWJAHRFJS-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]([NH2+]Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000163889361 378995676 /nfs/dbraw/zinc/99/56/76/378995676.db2.gz SQGWGCXHNBCGOW-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894149 383733484 /nfs/dbraw/zinc/73/34/84/383733484.db2.gz CNWAQJCSXBLSJG-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894149 383733489 /nfs/dbraw/zinc/73/34/89/383733489.db2.gz CNWAQJCSXBLSJG-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289462679 197359948 /nfs/dbraw/zinc/35/99/48/197359948.db2.gz IIMIOXQTFXOLPC-NSHDSACASA-N 1 1 274.324 2.786 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171949379 379448338 /nfs/dbraw/zinc/44/83/38/379448338.db2.gz IUMPPIJZUSZIGG-RYUDHWBXSA-N 1 1 293.367 2.900 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCOC1 ZINC000267066787 190301266 /nfs/dbraw/zinc/30/12/66/190301266.db2.gz UUCXVHXQHDCXKY-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000173275365 379718251 /nfs/dbraw/zinc/71/82/51/379718251.db2.gz AKLLQIKSCWATLG-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174416869 379882079 /nfs/dbraw/zinc/88/20/79/379882079.db2.gz GYCGYYVDALVCSP-SNVBAGLBSA-N 1 1 288.307 2.629 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000176201593 380194078 /nfs/dbraw/zinc/19/40/78/380194078.db2.gz BNIFJTVLKZKAJN-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000336817406 380680501 /nfs/dbraw/zinc/68/05/01/380680501.db2.gz QFMWFBZTNNLRBB-UHFFFAOYSA-N 1 1 269.320 2.794 20 5 CFBDMO CCOCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181018877 380724949 /nfs/dbraw/zinc/72/49/49/380724949.db2.gz VGMHIJYKNXXNNV-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CCOCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181018877 380724953 /nfs/dbraw/zinc/72/49/53/380724953.db2.gz VGMHIJYKNXXNNV-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000181484133 380803891 /nfs/dbraw/zinc/80/38/91/380803891.db2.gz PEDSAHCEQIOEDB-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000181484133 380803897 /nfs/dbraw/zinc/80/38/97/380803897.db2.gz PEDSAHCEQIOEDB-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1cccc(OCCn2c[nH+]c3c2CCCC3)c1 ZINC000295434979 380853435 /nfs/dbraw/zinc/85/34/35/380853435.db2.gz ZKJGTEOSHNZTBQ-UHFFFAOYSA-N 1 1 287.319 2.749 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000279257568 194355201 /nfs/dbraw/zinc/35/52/01/194355201.db2.gz HTYDDZXEMPGPMV-HNNXBMFYSA-N 1 1 294.351 2.604 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347021767 380884636 /nfs/dbraw/zinc/88/46/36/380884636.db2.gz NNTBZCMELQNKJO-COPLHBTASA-N 1 1 292.335 2.539 20 5 CFBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000353833376 380888207 /nfs/dbraw/zinc/88/82/07/380888207.db2.gz ZDETUABFLTVEIE-UHFFFAOYSA-N 1 1 294.351 2.986 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000279297952 194373810 /nfs/dbraw/zinc/37/38/10/194373810.db2.gz LTVFXHFILIDEDQ-OAHLLOKOSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000182228024 381032215 /nfs/dbraw/zinc/03/22/15/381032215.db2.gz ZGHAMHYTMYSFSY-CQSZACIVSA-N 1 1 296.754 2.861 20 5 CFBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCCCO ZINC000279341552 194392432 /nfs/dbraw/zinc/39/24/32/194392432.db2.gz FICRYRNCEOFAQA-VQHVLOKHSA-N 1 1 278.352 2.702 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000354225343 381151026 /nfs/dbraw/zinc/15/10/26/381151026.db2.gz RFOYUNBHFBUCKM-UHFFFAOYSA-N 1 1 296.367 2.721 20 5 CFBDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289797619 381162130 /nfs/dbraw/zinc/16/21/30/381162130.db2.gz IBKVILWMHSQJTE-LLVKDONJSA-N 1 1 293.367 2.704 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000368756714 381125798 /nfs/dbraw/zinc/12/57/98/381125798.db2.gz VIGYCUBEEDKZQK-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1COC1 ZINC000295946881 381173810 /nfs/dbraw/zinc/17/38/10/381173810.db2.gz GUVAVBARYRJRKD-FNORWQNLSA-N 1 1 276.336 2.717 20 5 CFBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1COC1 ZINC000295946881 381173813 /nfs/dbraw/zinc/17/38/13/381173813.db2.gz GUVAVBARYRJRKD-FNORWQNLSA-N 1 1 276.336 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000369019634 381181778 /nfs/dbraw/zinc/18/17/78/381181778.db2.gz YZFMMJKRKJDZAW-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289903208 381212007 /nfs/dbraw/zinc/21/20/07/381212007.db2.gz NNNFOTJUUKLYPY-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359086011 381257528 /nfs/dbraw/zinc/25/75/28/381257528.db2.gz UUVFYGZJTVKBLJ-LBPRGKRZSA-N 1 1 280.372 2.749 20 5 CFBDMO CC[N@@H+](CCNc1nc(C)cc(C)c1[N+](=O)[O-])C(C)C ZINC000359108283 381269883 /nfs/dbraw/zinc/26/98/83/381269883.db2.gz LTWKJDZGMLGASA-UHFFFAOYSA-N 1 1 280.372 2.749 20 5 CFBDMO CCN1C[C@H](C)[NH+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347702602 381304489 /nfs/dbraw/zinc/30/44/89/381304489.db2.gz JBCZGYDRTOWOCN-KBPBESRZSA-N 1 1 291.395 2.552 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000342334672 381281986 /nfs/dbraw/zinc/28/19/86/381281986.db2.gz LJHGLLZBOSMBCT-GFCCVEGCSA-N 1 1 288.351 2.796 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823784 197173473 /nfs/dbraw/zinc/17/34/73/197173473.db2.gz NKTPIJJGXHQGQX-OAHLLOKOSA-N 1 1 278.352 2.579 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342602291 381427930 /nfs/dbraw/zinc/42/79/30/381427930.db2.gz LXEBQALGWUDOCL-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000290510308 381458168 /nfs/dbraw/zinc/45/81/68/381458168.db2.gz FCTVUXMCMJADEY-LBPRGKRZSA-N 1 1 295.383 2.883 20 5 CFBDMO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463433 /nfs/dbraw/zinc/46/34/33/381463433.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463441 /nfs/dbraw/zinc/46/34/41/381463441.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000371064464 381541499 /nfs/dbraw/zinc/54/14/99/381541499.db2.gz LQUXHBVDOHBVTH-HNNXBMFYSA-N 1 1 290.363 2.843 20 5 CFBDMO Cn1c2ccccc2[nH+]c1NCCc1ccccc1[N+](=O)[O-] ZINC000342767361 381524753 /nfs/dbraw/zinc/52/47/53/381524753.db2.gz AVYRPRUTLPRBIJ-UHFFFAOYSA-N 1 1 296.330 2.558 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000348356236 381528638 /nfs/dbraw/zinc/52/86/38/381528638.db2.gz XJLSEDOSZXLYAS-DGCLKSJQSA-N 1 1 292.383 2.607 20 5 CFBDMO COc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290796024 381553059 /nfs/dbraw/zinc/55/30/59/381553059.db2.gz OXASNNVTGHYDAU-PWSUYJOCSA-N 1 1 291.351 2.641 20 5 CFBDMO COc1cccc(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000185182004 381555537 /nfs/dbraw/zinc/55/55/37/381555537.db2.gz AVXFIVQFEQIOMN-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185217218 381566266 /nfs/dbraw/zinc/56/62/66/381566266.db2.gz PQIMUYCLEGAAKU-LLVKDONJSA-N 1 1 290.319 2.667 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000298364843 381593600 /nfs/dbraw/zinc/59/36/00/381593600.db2.gz ACLCCFUDWSLWLN-LBPRGKRZSA-N 1 1 293.367 2.534 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000355114458 381621922 /nfs/dbraw/zinc/62/19/22/381621922.db2.gz UTZHBQCDDLOCRR-BNEDENDOSA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC23CCC(CO)CC3)c1 ZINC000371478345 381638190 /nfs/dbraw/zinc/63/81/90/381638190.db2.gz WDZWTNDWCATLMN-UHFFFAOYSA-N 1 1 290.363 2.722 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)OC ZINC000291012940 381631106 /nfs/dbraw/zinc/63/11/06/381631106.db2.gz BHKKLOVBIQKJRU-GFCCVEGCSA-N 1 1 266.341 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CC(C3CCC3)C2)cs1 ZINC000348708931 381678014 /nfs/dbraw/zinc/67/80/14/381678014.db2.gz ANYUIBDKHQHCQB-UHFFFAOYSA-N 1 1 252.339 2.888 20 5 CFBDMO CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655800 381695416 /nfs/dbraw/zinc/69/54/16/381695416.db2.gz KSPVCEZJGKSWRQ-UGFHNGPFSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208808 381795041 /nfs/dbraw/zinc/79/50/41/381795041.db2.gz TVCQBWKKKIQGTP-CZUORRHYSA-N 1 1 289.379 2.683 20 5 CFBDMO CC/C=C/CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343558600 381796112 /nfs/dbraw/zinc/79/61/12/381796112.db2.gz WWUDVJLPDDJYFF-ONEGZZNKSA-N 1 1 261.325 2.704 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000372148508 381763928 /nfs/dbraw/zinc/76/39/28/381763928.db2.gz GTAPIVBJSOOIOG-VNQPRFMTSA-N 1 1 290.363 2.893 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000361237419 381811974 /nfs/dbraw/zinc/81/19/74/381811974.db2.gz KHMQZABVBYCROB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000361237419 381811981 /nfs/dbraw/zinc/81/19/81/381811981.db2.gz KHMQZABVBYCROB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886911 381885299 /nfs/dbraw/zinc/88/52/99/381885299.db2.gz YKKGTQYBRXHAPF-LLVKDONJSA-N 1 1 280.324 2.596 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886911 381885301 /nfs/dbraw/zinc/88/53/01/381885301.db2.gz YKKGTQYBRXHAPF-LLVKDONJSA-N 1 1 280.324 2.596 20 5 CFBDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343699999 381894591 /nfs/dbraw/zinc/89/45/91/381894591.db2.gz XAIBESWJSPUXES-OAHLLOKOSA-N 1 1 292.379 2.966 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293035186 381961398 /nfs/dbraw/zinc/96/13/98/381961398.db2.gz RWJNGGDFJSNXCY-MRXNPFEDSA-N 1 1 289.379 2.513 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293050775 381969043 /nfs/dbraw/zinc/96/90/43/381969043.db2.gz HUGJJYWSISEUAR-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)ccc1Cl ZINC000373298912 381974756 /nfs/dbraw/zinc/97/47/56/381974756.db2.gz LBWLGLYOTWRRPL-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929416 382025149 /nfs/dbraw/zinc/02/51/49/382025149.db2.gz QMNDMINPYUPYOX-ABAIWWIYSA-N 1 1 277.368 2.586 20 5 CFBDMO Cc1ccnc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301265830 382128073 /nfs/dbraw/zinc/12/80/73/382128073.db2.gz GMCWOJKMBBMVTD-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000418061740 382122130 /nfs/dbraw/zinc/12/21/30/382122130.db2.gz FKRSUSMOOVXCIE-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO COc1cc(C[N@@H+](C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000351970647 382099221 /nfs/dbraw/zinc/09/92/21/382099221.db2.gz GPHXALLFYRVXIW-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352015713 382130418 /nfs/dbraw/zinc/13/04/18/382130418.db2.gz RPGKZYYIGCPCOO-DTORHVGOSA-N 1 1 270.279 2.961 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352015713 382130431 /nfs/dbraw/zinc/13/04/31/382130431.db2.gz RPGKZYYIGCPCOO-DTORHVGOSA-N 1 1 270.279 2.961 20 5 CFBDMO CCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352102052 382171950 /nfs/dbraw/zinc/17/19/50/382171950.db2.gz HQXSDFFEJVUSPZ-UHFFFAOYSA-N 1 1 262.313 2.703 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352187354 382213820 /nfs/dbraw/zinc/21/38/20/382213820.db2.gz RFHJTMNRKASBMN-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352187354 382213826 /nfs/dbraw/zinc/21/38/26/382213826.db2.gz RFHJTMNRKASBMN-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187575933 382216348 /nfs/dbraw/zinc/21/63/48/382216348.db2.gz JWBCLQBNESGPAM-MRXNPFEDSA-N 1 1 292.379 2.622 20 5 CFBDMO COC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000352194492 382218099 /nfs/dbraw/zinc/21/80/99/382218099.db2.gz KFFMERPLYHSGPF-UHFFFAOYSA-N 1 1 284.743 2.857 20 5 CFBDMO COC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000352194492 382218105 /nfs/dbraw/zinc/21/81/05/382218105.db2.gz KFFMERPLYHSGPF-UHFFFAOYSA-N 1 1 284.743 2.857 20 5 CFBDMO COCC1=CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000187623762 382227638 /nfs/dbraw/zinc/22/76/38/382227638.db2.gz BUFSUZGGLILROC-UHFFFAOYSA-N 1 1 276.336 2.682 20 5 CFBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222227 382232978 /nfs/dbraw/zinc/23/29/78/382232978.db2.gz PXAJXHIHIIPVLV-NWDGAFQWSA-N 1 1 266.341 2.667 20 5 CFBDMO CSC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000187843376 382280611 /nfs/dbraw/zinc/28/06/11/382280611.db2.gz TWLHGQZYJAWJNB-AWEZNQCLSA-N 1 1 298.408 2.529 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377333193 382253623 /nfs/dbraw/zinc/25/36/23/382253623.db2.gz ZQDHXBVZIFWZJU-SECBINFHSA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377333193 382253629 /nfs/dbraw/zinc/25/36/29/382253629.db2.gz ZQDHXBVZIFWZJU-SECBINFHSA-N 1 1 292.726 2.941 20 5 CFBDMO CC[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000419246300 382259172 /nfs/dbraw/zinc/25/91/72/382259172.db2.gz WCPPNLMYXKZPEY-AWEZNQCLSA-N 1 1 278.352 2.984 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000352404171 382310998 /nfs/dbraw/zinc/31/09/98/382310998.db2.gz DLRFBMGJFLUWAP-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000302788635 382319646 /nfs/dbraw/zinc/31/96/46/382319646.db2.gz XOXINGPGKOVGOY-NSHDSACASA-N 1 1 283.759 2.779 20 5 CFBDMO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352421292 382322089 /nfs/dbraw/zinc/32/20/89/382322089.db2.gz KGMQVWAOWLXOMT-ISVAXAHUSA-N 1 1 286.278 2.530 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187918487 382296656 /nfs/dbraw/zinc/29/66/56/382296656.db2.gz GEDIOYFVSRSUAY-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO COC(C)(C)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352569953 382398109 /nfs/dbraw/zinc/39/81/09/382398109.db2.gz ADPJNPIHXVYMAL-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO CC[C@@H](F)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570310 382399739 /nfs/dbraw/zinc/39/97/39/382399739.db2.gz FUUFORCQUJKTAE-GFCCVEGCSA-N 1 1 254.305 2.817 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352608816 382414828 /nfs/dbraw/zinc/41/48/28/382414828.db2.gz OUURYFBJSOULQF-AAEUAGOBSA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305864815 382450179 /nfs/dbraw/zinc/45/01/79/382450179.db2.gz MRUQABXWLAPLBU-AVGNSLFASA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1cnn(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352722265 382459492 /nfs/dbraw/zinc/45/94/92/382459492.db2.gz ABUVURJGCJMAGZ-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO CC(C)[C@@H]([NH3+])CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346693378 382478022 /nfs/dbraw/zinc/47/80/22/382478022.db2.gz MRZAASLRAXXNNB-LYASGUKUSA-N 1 1 291.395 2.913 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421399442 382517683 /nfs/dbraw/zinc/51/76/83/382517683.db2.gz PYVKCXFAHCRCFM-CQSZACIVSA-N 1 1 292.379 2.888 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189258890 382575919 /nfs/dbraw/zinc/57/59/19/382575919.db2.gz VGPRWTPPSISDAH-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189258890 382575922 /nfs/dbraw/zinc/57/59/22/382575922.db2.gz VGPRWTPPSISDAH-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](CCc1cscn1)CCc1ccccc1[N+](=O)[O-] ZINC000295263619 382602616 /nfs/dbraw/zinc/60/26/16/382602616.db2.gz IXGRQAIHPMHBLW-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749329 382625391 /nfs/dbraw/zinc/62/53/91/382625391.db2.gz FNUGVCIVIZVUHJ-MNOVXSKESA-N 1 1 294.351 2.842 20 5 CFBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191645595 382701785 /nfs/dbraw/zinc/70/17/85/382701785.db2.gz BCZZCVPMIPUCHH-INIZCTEOSA-N 1 1 292.379 2.968 20 5 CFBDMO C[C@@H]1CCSCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191821152 382702699 /nfs/dbraw/zinc/70/26/99/382702699.db2.gz UWOQBZNEIPLCKT-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191821152 382702700 /nfs/dbraw/zinc/70/27/00/382702700.db2.gz UWOQBZNEIPLCKT-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000193386144 382719464 /nfs/dbraw/zinc/71/94/64/382719464.db2.gz ZSYMRNBULHIMIF-NEPJUHHUSA-N 1 1 292.383 2.709 20 5 CFBDMO Cc1cccc(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000575056669 382725169 /nfs/dbraw/zinc/72/51/69/382725169.db2.gz LPLDPJMRDAAIRV-UHFFFAOYSA-N 1 1 297.358 2.899 20 5 CFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000195508858 382768140 /nfs/dbraw/zinc/76/81/40/382768140.db2.gz UANOCNMNCUFWIZ-UWVGGRQHSA-N 1 1 284.385 2.584 20 5 CFBDMO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000576239591 382815914 /nfs/dbraw/zinc/81/59/14/382815914.db2.gz CAXYNZYQBQTZNS-ZDUSSCGKSA-N 1 1 273.292 2.668 20 5 CFBDMO Cc1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000230147105 382856359 /nfs/dbraw/zinc/85/63/59/382856359.db2.gz CVIBGHYRIWPSAD-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441632780 382921688 /nfs/dbraw/zinc/92/16/88/382921688.db2.gz GDTYAWZIRBPKSL-NWDGAFQWSA-N 1 1 294.326 2.592 20 5 CFBDMO CC(C)CC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344304 382996659 /nfs/dbraw/zinc/99/66/59/382996659.db2.gz AFGGNEYDGJJVAI-INIZCTEOSA-N 1 1 294.395 2.866 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191631 382969010 /nfs/dbraw/zinc/96/90/10/382969010.db2.gz HKYAYVOYJZKMHB-GWCFXTLKSA-N 1 1 284.381 2.639 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000447901837 383028149 /nfs/dbraw/zinc/02/81/49/383028149.db2.gz IBBBLLMBTNUJHQ-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000447901837 383028152 /nfs/dbraw/zinc/02/81/52/383028152.db2.gz IBBBLLMBTNUJHQ-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000551045016 383034683 /nfs/dbraw/zinc/03/46/83/383034683.db2.gz DBBJGUKQUQXOGB-ZDUSSCGKSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000551045016 383034686 /nfs/dbraw/zinc/03/46/86/383034686.db2.gz DBBJGUKQUQXOGB-ZDUSSCGKSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000551045016 383034691 /nfs/dbraw/zinc/03/46/91/383034691.db2.gz DBBJGUKQUQXOGB-ZDUSSCGKSA-N 1 1 291.395 2.990 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000246385410 383074124 /nfs/dbraw/zinc/07/41/24/383074124.db2.gz ILUDRMZPNAVJOA-UWVGGRQHSA-N 1 1 275.308 2.966 20 5 CFBDMO COc1ccncc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554243066 383127623 /nfs/dbraw/zinc/12/76/23/383127623.db2.gz DRUQNEVWPJVCRN-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1ccncc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554243066 383127629 /nfs/dbraw/zinc/12/76/29/383127629.db2.gz DRUQNEVWPJVCRN-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246615767 383086634 /nfs/dbraw/zinc/08/66/34/383086634.db2.gz JQKJOKMGTXOKLY-XHDPSFHLSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC12CCC2 ZINC000339130694 383160146 /nfs/dbraw/zinc/16/01/46/383160146.db2.gz ZTEFROPBAYHBAJ-UHFFFAOYSA-N 1 1 262.309 2.819 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449492974 383330343 /nfs/dbraw/zinc/33/03/43/383330343.db2.gz CZAIWTSIOMVFMQ-KOLCDFICSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449492974 383330347 /nfs/dbraw/zinc/33/03/47/383330347.db2.gz CZAIWTSIOMVFMQ-KOLCDFICSA-N 1 1 270.354 2.513 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464695804 383313134 /nfs/dbraw/zinc/31/31/34/383313134.db2.gz WJSGQWGGHARNPM-NXEZZACHSA-N 1 1 282.315 2.973 20 5 CFBDMO CC(C)c1ccc(C[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000521875822 383313258 /nfs/dbraw/zinc/31/32/58/383313258.db2.gz AWXUVTZJZHPOQO-UHFFFAOYSA-N 1 1 275.308 2.996 20 5 CFBDMO Cc1c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000568363838 383394262 /nfs/dbraw/zinc/39/42/62/383394262.db2.gz OMLIHLIOWDJRJU-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000251757230 383394848 /nfs/dbraw/zinc/39/48/48/383394848.db2.gz LSPWCCGWOQFEBH-DZGCQCFKSA-N 1 1 278.352 2.893 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000251988155 383402691 /nfs/dbraw/zinc/40/26/91/383402691.db2.gz VUMGHFMAASKFAK-ABAIWWIYSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250791814 383379983 /nfs/dbraw/zinc/37/99/83/383379983.db2.gz SAEPOZRSVAQEKG-QWRGUYRKSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672947 383426561 /nfs/dbraw/zinc/42/65/61/383426561.db2.gz FLWWBQAAIPFXNP-RYUDHWBXSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000568979980 383455696 /nfs/dbraw/zinc/45/56/96/383455696.db2.gz RMCVVXSBHGUICX-HNNXBMFYSA-N 1 1 283.331 2.979 20 5 CFBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1 ZINC000341065515 383550991 /nfs/dbraw/zinc/55/09/91/383550991.db2.gz HUYHEVNVVVRHBJ-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000450953935 383566403 /nfs/dbraw/zinc/56/64/03/383566403.db2.gz MKXMCGAGIYSQAY-LLVKDONJSA-N 1 1 298.774 2.562 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540285 383638790 /nfs/dbraw/zinc/63/87/90/383638790.db2.gz GLLZJGOFQSELNP-ABAIWWIYSA-N 1 1 278.352 2.760 20 5 CFBDMO CC(C)(O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548769 383642659 /nfs/dbraw/zinc/64/26/59/383642659.db2.gz OIRJQFCPVVONCL-CYBMUJFWSA-N 1 1 278.352 2.545 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000570715278 383628379 /nfs/dbraw/zinc/62/83/79/383628379.db2.gz CNSUDSBOYMJNPG-INIZCTEOSA-N 1 1 290.363 2.638 20 5 CFBDMO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983671 383954695 /nfs/dbraw/zinc/95/46/95/383954695.db2.gz SMVJGUWVZZKOPH-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983671 383954698 /nfs/dbraw/zinc/95/46/98/383954698.db2.gz SMVJGUWVZZKOPH-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000532339656 384011849 /nfs/dbraw/zinc/01/18/49/384011849.db2.gz LQXJIKNFXPHRMY-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438493905 384011992 /nfs/dbraw/zinc/01/19/92/384011992.db2.gz WCAJWXOBQUABLR-GFCCVEGCSA-N 1 1 291.351 2.511 20 5 CFBDMO CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474889 384033534 /nfs/dbraw/zinc/03/35/34/384033534.db2.gz WIFGKLLJUUZTRC-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474889 384033540 /nfs/dbraw/zinc/03/35/40/384033540.db2.gz WIFGKLLJUUZTRC-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474889 384033547 /nfs/dbraw/zinc/03/35/47/384033547.db2.gz WIFGKLLJUUZTRC-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281108009 195106948 /nfs/dbraw/zinc/10/69/48/195106948.db2.gz BBBJNPBHWHMDQS-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](C)C1 ZINC000266780848 384237384 /nfs/dbraw/zinc/23/73/84/384237384.db2.gz ZUPXWOVHMCAFMJ-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277567218 384340503 /nfs/dbraw/zinc/34/05/03/384340503.db2.gz ZILFZAYGGQDYEJ-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369462995 285110595 /nfs/dbraw/zinc/11/05/95/285110595.db2.gz ALGUCORQBNEDRB-JKSUJKDBSA-N 1 1 290.363 2.781 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279385987 384621846 /nfs/dbraw/zinc/62/18/46/384621846.db2.gz TYBPNRXPJBCYBO-ABAIWWIYSA-N 1 1 276.336 2.594 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279385987 384621851 /nfs/dbraw/zinc/62/18/51/384621851.db2.gz TYBPNRXPJBCYBO-ABAIWWIYSA-N 1 1 276.336 2.594 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268855238 384677830 /nfs/dbraw/zinc/67/78/30/384677830.db2.gz QQLVHAKQRLUKHA-CYBMUJFWSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000268932980 384696503 /nfs/dbraw/zinc/69/65/03/384696503.db2.gz SXDYMHHHOFCNBL-ZYHUDNBSSA-N 1 1 265.357 2.504 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000269440109 384757871 /nfs/dbraw/zinc/75/78/71/384757871.db2.gz AZAYLWLNPNJUGN-UHFFFAOYSA-N 1 1 274.324 2.626 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000269454578 384760531 /nfs/dbraw/zinc/76/05/31/384760531.db2.gz FJWWVTLTAAZHDM-UHFFFAOYSA-N 1 1 288.351 2.935 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000269641878 384817577 /nfs/dbraw/zinc/81/75/77/384817577.db2.gz OEEQGUNESUQUEK-CHWSQXEVSA-N 1 1 297.305 2.912 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000269657757 384823515 /nfs/dbraw/zinc/82/35/15/384823515.db2.gz SGJHVABZLYWMPT-UHFFFAOYSA-N 1 1 296.277 2.880 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000269624263 384808399 /nfs/dbraw/zinc/80/83/99/384808399.db2.gz CAFLZPXBKGVITQ-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCSC1)CCO2 ZINC000356518192 285142561 /nfs/dbraw/zinc/14/25/61/285142561.db2.gz CWGIWQFCNMOPOL-LLVKDONJSA-N 1 1 294.376 2.542 20 5 CFBDMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270335021 385060688 /nfs/dbraw/zinc/06/06/88/385060688.db2.gz YERISFFTPFNSDI-HIFRSBDPSA-N 1 1 298.346 2.847 20 5 CFBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270712298 385202089 /nfs/dbraw/zinc/20/20/89/385202089.db2.gz IJCIWFMIWZPYHK-LLVKDONJSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282457752 385315686 /nfs/dbraw/zinc/31/56/86/385315686.db2.gz JNKNHUYTTFSXII-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CSCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282474470 385321217 /nfs/dbraw/zinc/32/12/17/385321217.db2.gz OEELMMUTNIMCFW-UHFFFAOYSA-N 1 1 268.382 2.822 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC12CCOCC2 ZINC000368577235 285160152 /nfs/dbraw/zinc/16/01/52/285160152.db2.gz TUGVWHGJGHBWHV-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccccn1 ZINC000282368447 385295261 /nfs/dbraw/zinc/29/52/61/385295261.db2.gz DYPANDGDEZHMJV-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO CSCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000281179597 195137824 /nfs/dbraw/zinc/13/78/24/195137824.db2.gz HORLPTJRNMVIBP-UHFFFAOYSA-N 1 1 260.384 2.841 20 5 CFBDMO CSCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000281179597 195137826 /nfs/dbraw/zinc/13/78/26/195137826.db2.gz HORLPTJRNMVIBP-UHFFFAOYSA-N 1 1 260.384 2.841 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000282489739 385325675 /nfs/dbraw/zinc/32/56/75/385325675.db2.gz MLWCJRRHHJOQSH-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC=CO1 ZINC000283052428 385429073 /nfs/dbraw/zinc/42/90/73/385429073.db2.gz OVMNBUVFTUSDDP-OAHLLOKOSA-N 1 1 276.336 2.762 20 5 CFBDMO CC[N@H+]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272382270 385524862 /nfs/dbraw/zinc/52/48/62/385524862.db2.gz WDOHECVVXCTBBB-CQSZACIVSA-N 1 1 291.395 2.992 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286239592 385576518 /nfs/dbraw/zinc/57/65/18/385576518.db2.gz DEVDGXQEXHSYPL-QYJAPNMZSA-N 1 1 293.342 2.795 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790455 385558001 /nfs/dbraw/zinc/55/80/01/385558001.db2.gz TWBGYTOAVBDTIP-NWDGAFQWSA-N 1 1 266.341 2.931 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272557565 385564274 /nfs/dbraw/zinc/56/42/74/385564274.db2.gz DQWIRDQUKVRJNR-ZBFHGGJFSA-N 1 1 292.379 2.886 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000272583359 385568932 /nfs/dbraw/zinc/56/89/32/385568932.db2.gz SBQVIFLYRGZAFL-UKRRQHHQSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000272900508 385647955 /nfs/dbraw/zinc/64/79/55/385647955.db2.gz IPNIVDMHEOZYRQ-JTQLQIEISA-N 1 1 279.315 2.796 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276878619 386067858 /nfs/dbraw/zinc/06/78/58/386067858.db2.gz INOPYRLCAVYADK-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281380588 195218226 /nfs/dbraw/zinc/21/82/26/195218226.db2.gz MGYUQUGAXQJYIF-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281380588 195218228 /nfs/dbraw/zinc/21/82/28/195218228.db2.gz MGYUQUGAXQJYIF-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426459373 533219679 /nfs/dbraw/zinc/21/96/79/533219679.db2.gz KKNHXJFPPDBXOI-FZMZJTMJSA-N 1 1 276.336 2.978 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281581976 195296586 /nfs/dbraw/zinc/29/65/86/195296586.db2.gz DIJOSWPBYAQEOR-FZMZJTMJSA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983694 130169252 /nfs/dbraw/zinc/16/92/52/130169252.db2.gz UNZFUKQRMUFQSV-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342039546 130252924 /nfs/dbraw/zinc/25/29/24/130252924.db2.gz WARLABQLPQAULF-CABCVRRESA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342039546 130252925 /nfs/dbraw/zinc/25/29/25/130252925.db2.gz WARLABQLPQAULF-CABCVRRESA-N 1 1 294.326 2.877 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179323838 393463496 /nfs/dbraw/zinc/46/34/96/393463496.db2.gz IKHMYEGHPNJRJS-SNVBAGLBSA-N 1 1 282.340 2.842 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC1(C)C ZINC000183294925 393518181 /nfs/dbraw/zinc/51/81/81/393518181.db2.gz AARUMZGNMHZCQA-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC1(C)C ZINC000183294925 393518187 /nfs/dbraw/zinc/51/81/87/393518187.db2.gz AARUMZGNMHZCQA-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189685914 393575042 /nfs/dbraw/zinc/57/50/42/393575042.db2.gz IGZJKXDUEVOCFX-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411219068 393686936 /nfs/dbraw/zinc/68/69/36/393686936.db2.gz COOPEIVKFHINGO-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650545 393772872 /nfs/dbraw/zinc/77/28/72/393772872.db2.gz GHNDTLOFAXVAOE-JTQLQIEISA-N 1 1 298.774 2.785 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248596958 393911916 /nfs/dbraw/zinc/91/19/16/393911916.db2.gz IJBQJDQSCOVNJA-VXGBXAGGSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248596958 393911922 /nfs/dbraw/zinc/91/19/22/393911922.db2.gz IJBQJDQSCOVNJA-VXGBXAGGSA-N 1 1 264.325 2.512 20 5 CFBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000470175822 393898639 /nfs/dbraw/zinc/89/86/39/393898639.db2.gz SQHVQZYOUBWYEB-QXIXBFCJSA-N 1 1 290.363 2.701 20 5 CFBDMO COC[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178797 393899331 /nfs/dbraw/zinc/89/93/31/393899331.db2.gz ODSZEVMIECSZKD-NRUITVPNSA-N 1 1 290.363 2.966 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341809272 393858157 /nfs/dbraw/zinc/85/81/57/393858157.db2.gz NVPAPPLVYSYVPY-GFCCVEGCSA-N 1 1 266.341 2.950 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548310 393932391 /nfs/dbraw/zinc/93/23/91/393932391.db2.gz PYEAFUUMGYGPRW-NOLJZWGESA-N 1 1 289.379 2.872 20 5 CFBDMO CN(C)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297707 393949016 /nfs/dbraw/zinc/94/90/16/393949016.db2.gz JHKZQOPHGBWMSA-MRXNPFEDSA-N 1 1 291.395 2.904 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000352611077 394016479 /nfs/dbraw/zinc/01/64/79/394016479.db2.gz CDXHNWQFGHFRFW-LLVKDONJSA-N 1 1 284.331 2.979 20 5 CFBDMO COCCCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418139404 394019046 /nfs/dbraw/zinc/01/90/46/394019046.db2.gz UOBYJCWSNSTKOV-CLFYSBASSA-N 1 1 278.352 2.966 20 5 CFBDMO Cc1cc(N[C@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000122213176 393966189 /nfs/dbraw/zinc/96/61/89/393966189.db2.gz UEFPOEIGXMSIMO-LLVKDONJSA-N 1 1 288.351 2.813 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430210430 393969223 /nfs/dbraw/zinc/96/92/23/393969223.db2.gz UMABXOCCVKHMLM-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128820 393976148 /nfs/dbraw/zinc/97/61/48/393976148.db2.gz WWMWOOSYSXACEW-GXTWGEPZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628100 393988020 /nfs/dbraw/zinc/98/80/20/393988020.db2.gz LTINNWYMWJPVBG-PWSUYJOCSA-N 1 1 281.331 2.510 20 5 CFBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125709037 394011639 /nfs/dbraw/zinc/01/16/39/394011639.db2.gz UZUMRAUFEUSYAK-LBPRGKRZSA-N 1 1 291.351 2.574 20 5 CFBDMO COCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000127143839 394044348 /nfs/dbraw/zinc/04/43/48/394044348.db2.gz XGBJPMBCYDUJJP-UHFFFAOYSA-N 1 1 266.341 2.796 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC[C@H]2CCOC2)C2CC2)c1 ZINC000437579429 394060661 /nfs/dbraw/zinc/06/06/61/394060661.db2.gz QWWZCOPPLKVEHC-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434371 394068251 /nfs/dbraw/zinc/06/82/51/394068251.db2.gz CGVPSGHFANVAOD-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000282359316 394124036 /nfs/dbraw/zinc/12/40/36/394124036.db2.gz NCWRSKDKABAHEJ-WFASDCNBSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420938676 394130908 /nfs/dbraw/zinc/13/09/08/394130908.db2.gz KXKYGCJVERAKED-JHJVBQTASA-N 1 1 278.352 2.606 20 5 CFBDMO C[C@H]1CC[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360030922 394144385 /nfs/dbraw/zinc/14/43/85/394144385.db2.gz JYQTXWVRCCXAHI-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047726 394144514 /nfs/dbraw/zinc/14/45/14/394144514.db2.gz NFQVTHLKXBSBHS-NEPJUHHUSA-N 1 1 295.358 2.961 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)cs1 ZINC000420996056 394151129 /nfs/dbraw/zinc/15/11/29/394151129.db2.gz QBUMDDAQZIFUER-LLVKDONJSA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cs1 ZINC000420996056 394151135 /nfs/dbraw/zinc/15/11/35/394151135.db2.gz QBUMDDAQZIFUER-LLVKDONJSA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421043927 394168086 /nfs/dbraw/zinc/16/80/86/394168086.db2.gz RMAKMGSYNWEGJE-CYBMUJFWSA-N 1 1 278.352 2.579 20 5 CFBDMO CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928185 394206773 /nfs/dbraw/zinc/20/67/73/394206773.db2.gz GQMKYXMDIMDGQY-VXGBXAGGSA-N 1 1 293.367 2.888 20 5 CFBDMO CC(C)[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292679038 394276177 /nfs/dbraw/zinc/27/61/77/394276177.db2.gz RAEIWARYLYTFFW-OAHLLOKOSA-N 1 1 280.368 2.822 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000369213061 394278957 /nfs/dbraw/zinc/27/89/57/394278957.db2.gz FGULUQRWYPDUKH-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878480 394379890 /nfs/dbraw/zinc/37/98/90/394379890.db2.gz JRXKHZVGCSLYDF-OCCSQVGLSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000178172182 394386547 /nfs/dbraw/zinc/38/65/47/394386547.db2.gz XCOLLKDOWXBVNM-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000530442290 394517811 /nfs/dbraw/zinc/51/78/11/394517811.db2.gz OFURCDCXFVGUNK-AAEUAGOBSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000530442290 394517816 /nfs/dbraw/zinc/51/78/16/394517816.db2.gz OFURCDCXFVGUNK-AAEUAGOBSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000536357380 394555138 /nfs/dbraw/zinc/55/51/38/394555138.db2.gz ZEJLZFXGLYQXEQ-AGIUHOORSA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554889717 394962328 /nfs/dbraw/zinc/96/23/28/394962328.db2.gz HSPXXKHLVPRAHM-DDJMYBDESA-N 1 1 292.379 2.947 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000555148166 394966580 /nfs/dbraw/zinc/96/65/80/394966580.db2.gz IQQTYZIPENQUFB-SNVBAGLBSA-N 1 1 298.362 2.848 20 5 CFBDMO Cc1c([C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438199 394973492 /nfs/dbraw/zinc/97/34/92/394973492.db2.gz CKSLUARYJRNDPW-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438199 394973494 /nfs/dbraw/zinc/97/34/94/394973494.db2.gz CKSLUARYJRNDPW-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573374 395064940 /nfs/dbraw/zinc/06/49/40/395064940.db2.gz JZDFHNVHVRWEAJ-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CC[N@@H+](CCNc1c(OC)cccc1[N+](=O)[O-])C(C)C ZINC000578786827 395096532 /nfs/dbraw/zinc/09/65/32/395096532.db2.gz WEYSHVOESQCRNX-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692003 397577047 /nfs/dbraw/zinc/57/70/47/397577047.db2.gz OWGOKCCMJHBSFG-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@@]12COC[C@H]1CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601195124 397587341 /nfs/dbraw/zinc/58/73/41/397587341.db2.gz DWLXUNYVJUUMED-BDJLRTHQSA-N 1 1 299.330 2.616 20 5 CFBDMO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592662 397631756 /nfs/dbraw/zinc/63/17/56/397631756.db2.gz FZTKDVADZJMIJE-RYUDHWBXSA-N 1 1 293.367 2.550 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286730805 292296073 /nfs/dbraw/zinc/29/60/73/292296073.db2.gz CXSCVQQAHCZOKY-WFASDCNBSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286730805 292296075 /nfs/dbraw/zinc/29/60/75/292296075.db2.gz CXSCVQQAHCZOKY-WFASDCNBSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071785 292297014 /nfs/dbraw/zinc/29/70/14/292297014.db2.gz RZSMUPHHMYBWRD-SCDSUCTJSA-N 1 1 278.352 2.667 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343250054 154154376 /nfs/dbraw/zinc/15/43/76/154154376.db2.gz LRYBBFLLPFRUMS-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO CC1CCC2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000363124712 156150808 /nfs/dbraw/zinc/15/08/08/156150808.db2.gz ZLTTYZQDMIUFQF-UHFFFAOYSA-N 1 1 292.383 2.694 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000367047731 156271178 /nfs/dbraw/zinc/27/11/78/156271178.db2.gz MGXKEECTGVJEFK-OAHLLOKOSA-N 1 1 276.336 2.658 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000373897115 157042667 /nfs/dbraw/zinc/04/26/67/157042667.db2.gz JJXNWULYPQUQQN-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000374302998 157096217 /nfs/dbraw/zinc/09/62/17/157096217.db2.gz RJPWJIJLZUQCHX-CYBMUJFWSA-N 1 1 276.336 2.706 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000375102840 157196971 /nfs/dbraw/zinc/19/69/71/157196971.db2.gz XPILENRPPDVBJF-OAHLLOKOSA-N 1 1 292.379 2.886 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000375102838 157197014 /nfs/dbraw/zinc/19/70/14/157197014.db2.gz XPILENRPPDVBJF-HNNXBMFYSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000375707644 157272235 /nfs/dbraw/zinc/27/22/35/157272235.db2.gz ZWTRNYPMZKZNTB-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CC2)C1 ZINC000408173877 157384185 /nfs/dbraw/zinc/38/41/85/157384185.db2.gz DXKAVLIUGOKDRJ-GFCCVEGCSA-N 1 1 276.336 2.768 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344440083 162043748 /nfs/dbraw/zinc/04/37/48/162043748.db2.gz UELHMSOSLUTADR-CYBMUJFWSA-N 1 1 278.356 2.666 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346184187 162345296 /nfs/dbraw/zinc/34/52/96/162345296.db2.gz KYYJBHSSPVYLSN-QWHCGFSZSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000349976602 163045262 /nfs/dbraw/zinc/04/52/62/163045262.db2.gz PVXRRYNBJNDEGD-KGLIPLIRSA-N 1 1 291.395 2.818 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000352690379 163223267 /nfs/dbraw/zinc/22/32/67/163223267.db2.gz DLRRCGDJYGPEIO-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO COC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000008470832 170336728 /nfs/dbraw/zinc/33/67/28/170336728.db2.gz IVDAMQVVGUBOCX-LLVKDONJSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000020123807 171004718 /nfs/dbraw/zinc/00/47/18/171004718.db2.gz DEONMBBYEPRLNL-NSHDSACASA-N 1 1 257.293 2.841 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000020123813 171005814 /nfs/dbraw/zinc/00/58/14/171005814.db2.gz IUTCQFVPHJMGNU-NSHDSACASA-N 1 1 257.293 2.841 20 5 CFBDMO C[C@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126023 171009839 /nfs/dbraw/zinc/00/98/39/171009839.db2.gz LHGLTUTUVDWQHT-NSHDSACASA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)C[C@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000020201778 171066403 /nfs/dbraw/zinc/06/64/03/171066403.db2.gz QWSFCHKJDMKCKS-OAHLLOKOSA-N 1 1 279.384 2.661 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284651875 196103936 /nfs/dbraw/zinc/10/39/36/196103936.db2.gz GCBRGNVCPANYSD-CABCVRRESA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284651878 196104175 /nfs/dbraw/zinc/10/41/75/196104175.db2.gz GCBRGNVCPANYSD-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000284944094 196161631 /nfs/dbraw/zinc/16/16/31/196161631.db2.gz WSSWLZUPOLDUOJ-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000284944087 196162333 /nfs/dbraw/zinc/16/23/33/196162333.db2.gz WSSWLZUPOLDUOJ-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000035258548 172090381 /nfs/dbraw/zinc/09/03/81/172090381.db2.gz JSGZPYCFAAQNBC-HNNXBMFYSA-N 1 1 293.411 2.969 20 5 CFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000285248512 196231381 /nfs/dbraw/zinc/23/13/81/196231381.db2.gz HAAYIEBHKBTKKO-CQSZACIVSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1ccc([C@@H](C)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267022 173077178 /nfs/dbraw/zinc/07/71/78/173077178.db2.gz FCLNCTAKVPKOCY-GFCCVEGCSA-N 1 1 277.368 2.648 20 5 CFBDMO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000038028740 174018728 /nfs/dbraw/zinc/01/87/28/174018728.db2.gz VUXWVOWCRVOHFS-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCCCCC2)c1 ZINC000040433278 174261007 /nfs/dbraw/zinc/26/10/07/174261007.db2.gz UNHDZLODRYIQDX-UHFFFAOYSA-N 1 1 277.368 2.560 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCCCC2)cs1 ZINC000040767948 174398371 /nfs/dbraw/zinc/39/83/71/174398371.db2.gz SLRUVNCRRWMIQR-UHFFFAOYSA-N 1 1 283.397 2.622 20 5 CFBDMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533983 175197549 /nfs/dbraw/zinc/19/75/49/175197549.db2.gz RDRTUFWWYROPOS-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533983 175197554 /nfs/dbraw/zinc/19/75/54/175197554.db2.gz RDRTUFWWYROPOS-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534274 175197952 /nfs/dbraw/zinc/19/79/52/175197952.db2.gz XDECNNIGFMSAIK-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534274 175197957 /nfs/dbraw/zinc/19/79/57/175197957.db2.gz XDECNNIGFMSAIK-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000044537749 175199442 /nfs/dbraw/zinc/19/94/42/175199442.db2.gz LWIFOFMZMXZWKQ-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000044986321 175284487 /nfs/dbraw/zinc/28/44/87/175284487.db2.gz LJCBIKYESLKLEK-SNVBAGLBSA-N 1 1 261.281 2.742 20 5 CFBDMO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)C ZINC000077327494 177253535 /nfs/dbraw/zinc/25/35/35/177253535.db2.gz FQKYXIBCISMATO-UHFFFAOYSA-N 1 1 272.370 2.761 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000077897107 177307633 /nfs/dbraw/zinc/30/76/33/177307633.db2.gz VFMIZLJLWAALAG-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118172 263085888 /nfs/dbraw/zinc/08/58/88/263085888.db2.gz NQQNZXXJWOIOKE-GFCCVEGCSA-N 1 1 294.399 2.560 20 5 CFBDMO CCCN(CC)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118172 263085889 /nfs/dbraw/zinc/08/58/89/263085889.db2.gz NQQNZXXJWOIOKE-GFCCVEGCSA-N 1 1 294.399 2.560 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000095015704 265285377 /nfs/dbraw/zinc/28/53/77/265285377.db2.gz RKCPXYJXIBEAGJ-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000519201163 265362976 /nfs/dbraw/zinc/36/29/76/265362976.db2.gz GQKPEJRLDZMITJ-LBPRGKRZSA-N 1 1 291.351 2.551 20 5 CFBDMO CC1(C)COC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000313048794 270289677 /nfs/dbraw/zinc/28/96/77/270289677.db2.gz YSMAQFYNPHTVNR-GFCCVEGCSA-N 1 1 284.743 2.763 20 5 CFBDMO Cc1c(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270844 270316545 /nfs/dbraw/zinc/31/65/45/270316545.db2.gz MUNGQJZXXXAOIX-JMSVASOKSA-N 1 1 291.395 2.708 20 5 CFBDMO CCn1cncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418070535 273781745 /nfs/dbraw/zinc/78/17/45/273781745.db2.gz UPTOPDIXWHECPH-UHFFFAOYSA-N 1 1 288.351 2.836 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282347670 274064274 /nfs/dbraw/zinc/06/42/74/274064274.db2.gz PBSAVEYTQFONRQ-SWLSCSKDSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441374902 274080432 /nfs/dbraw/zinc/08/04/32/274080432.db2.gz ICYREKWYPVAFBG-QWRGUYRKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441374902 274080434 /nfs/dbraw/zinc/08/04/34/274080434.db2.gz ICYREKWYPVAFBG-QWRGUYRKSA-N 1 1 282.315 2.733 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000441220658 274116124 /nfs/dbraw/zinc/11/61/24/274116124.db2.gz CYLHSTBBXQMDEB-GFCCVEGCSA-N 1 1 296.367 2.959 20 5 CFBDMO C[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000279013210 274225773 /nfs/dbraw/zinc/22/57/73/274225773.db2.gz HCELCZHBYFTJKG-NHYWBVRUSA-N 1 1 291.395 2.857 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000227888314 275033787 /nfs/dbraw/zinc/03/37/87/275033787.db2.gz OEEQGUNESUQUEK-STQMWFEESA-N 1 1 297.305 2.912 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000493236590 275039400 /nfs/dbraw/zinc/03/94/00/275039400.db2.gz KJEUANWDRKWPCL-LLVKDONJSA-N 1 1 295.770 2.528 20 5 CFBDMO CCC[C@@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706888 276022109 /nfs/dbraw/zinc/02/21/09/276022109.db2.gz PJMXTXAPGAIKAC-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692002 276104756 /nfs/dbraw/zinc/10/47/56/276104756.db2.gz OWGOKCCMJHBSFG-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000364639275 277042507 /nfs/dbraw/zinc/04/25/07/277042507.db2.gz UWDTUGHLDIMBNB-UHFFFAOYSA-N 1 1 293.342 2.799 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747740 278386866 /nfs/dbraw/zinc/38/68/66/278386866.db2.gz GIZOUVONZHFMMI-MFKMUULPSA-N 1 1 286.335 2.526 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270054 279142329 /nfs/dbraw/zinc/14/23/29/279142329.db2.gz WKERBAJYKDCYDQ-DGCLKSJQSA-N 1 1 265.357 2.619 20 5 CFBDMO CC[N@@H+](CCOC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270783182 279210503 /nfs/dbraw/zinc/21/05/03/279210503.db2.gz PHRSORVILYTYBM-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000339362178 281013479 /nfs/dbraw/zinc/01/34/79/281013479.db2.gz NXRRQJHWTSLZOK-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406848 281021896 /nfs/dbraw/zinc/02/18/96/281021896.db2.gz OCHNFXOINFPZES-UBHSHLNASA-N 1 1 291.395 2.881 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000249035436 281045108 /nfs/dbraw/zinc/04/51/08/281045108.db2.gz CEAHWSNMTAOQKG-LRDDRELGSA-N 1 1 292.379 2.921 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337311338 281165233 /nfs/dbraw/zinc/16/52/33/281165233.db2.gz CLKWBVGLIOFLSN-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000275537353 281229689 /nfs/dbraw/zinc/22/96/89/281229689.db2.gz ZOGJUEBLPWUBDM-OLZOCXBDSA-N 1 1 275.352 2.576 20 5 CFBDMO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392541 281234964 /nfs/dbraw/zinc/23/49/64/281234964.db2.gz WZTZYSOKQKOWLS-CQSZACIVSA-N 1 1 277.368 2.559 20 5 CFBDMO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435393398 281235057 /nfs/dbraw/zinc/23/50/57/281235057.db2.gz ZKTHGMYJPSFJGM-AWEZNQCLSA-N 1 1 277.368 2.559 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000459484393 281267875 /nfs/dbraw/zinc/26/78/75/281267875.db2.gz SLUVZOYUWZLFQE-TXEJJXNPSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000540180232 281582860 /nfs/dbraw/zinc/58/28/60/281582860.db2.gz CNLVKNSGFLXWNH-JTQLQIEISA-N 1 1 293.348 2.781 20 5 CFBDMO Cc1cnccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560104327 282015587 /nfs/dbraw/zinc/01/55/87/282015587.db2.gz MTIAHPLBKMZCLS-UHFFFAOYSA-N 1 1 283.331 2.857 20 5 CFBDMO Cc1cnccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560104327 282015588 /nfs/dbraw/zinc/01/55/88/282015588.db2.gz MTIAHPLBKMZCLS-UHFFFAOYSA-N 1 1 283.331 2.857 20 5 CFBDMO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416689 290146579 /nfs/dbraw/zinc/14/65/79/290146579.db2.gz INIXRJAGOCMBHY-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO CN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416689 290146588 /nfs/dbraw/zinc/14/65/88/290146588.db2.gz INIXRJAGOCMBHY-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO Cc1cnccc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000564910889 290248682 /nfs/dbraw/zinc/24/86/82/290248682.db2.gz RRPAUVRQHFBONO-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO O=C1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000565170268 290276108 /nfs/dbraw/zinc/27/61/08/290276108.db2.gz KGENNLKPLQBGJV-UHFFFAOYSA-N 1 1 288.347 2.725 20 5 CFBDMO O=C1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000565170268 290276110 /nfs/dbraw/zinc/27/61/10/290276110.db2.gz KGENNLKPLQBGJV-UHFFFAOYSA-N 1 1 288.347 2.725 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C(C)(C)C1 ZINC000565636681 290314125 /nfs/dbraw/zinc/31/41/25/290314125.db2.gz NBJBBHBCUAAAND-GFCCVEGCSA-N 1 1 277.368 2.682 20 5 CFBDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214119 290358881 /nfs/dbraw/zinc/35/88/81/290358881.db2.gz DOWULOFUTQBTPN-RYUDHWBXSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214119 290358882 /nfs/dbraw/zinc/35/88/82/290358882.db2.gz DOWULOFUTQBTPN-RYUDHWBXSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@H](C[NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414869761 534048857 /nfs/dbraw/zinc/04/88/57/534048857.db2.gz BFODNPRSUFQWIV-LLVKDONJSA-N 1 1 289.335 2.539 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361652958 519836003 /nfs/dbraw/zinc/83/60/03/519836003.db2.gz HCRIOXQCPUBKSU-TZMCWYRMSA-N 1 1 292.379 2.778 20 5 CFBDMO CC[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214050825 520240409 /nfs/dbraw/zinc/24/04/09/520240409.db2.gz CHNHZHRCSQNCQH-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CCN(CC)[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000075757156 520830215 /nfs/dbraw/zinc/83/02/15/520830215.db2.gz CWORDBNLUSQFEQ-ZDUSSCGKSA-N 1 1 279.384 2.723 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336641 521066834 /nfs/dbraw/zinc/06/68/34/521066834.db2.gz IPIDTVAXQKOHRT-JSGCOSHPSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000194090832 521444694 /nfs/dbraw/zinc/44/46/94/521444694.db2.gz ZGOVKDUKTOBDGT-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313131046 521658612 /nfs/dbraw/zinc/65/86/12/521658612.db2.gz QGJHEULZUKHYCF-NSHDSACASA-N 1 1 281.331 2.939 20 5 CFBDMO CC[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274377 522609413 /nfs/dbraw/zinc/60/94/13/522609413.db2.gz DGDOPIIGZJVSSU-HOTGVXAUSA-N 1 1 291.395 2.976 20 5 CFBDMO CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553778 522688110 /nfs/dbraw/zinc/68/81/10/522688110.db2.gz SQGNKSXFXSSMNP-WFASDCNBSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1F ZINC000360945703 524768251 /nfs/dbraw/zinc/76/82/51/524768251.db2.gz HEUDZSIEUVDSGR-SECBINFHSA-N 1 1 279.271 2.605 20 5 CFBDMO C[C@@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000227890849 525446977 /nfs/dbraw/zinc/44/69/77/525446977.db2.gz MUKWHVUZGVFQSC-RKDXNWHRSA-N 1 1 285.294 2.768 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000312957489 525453125 /nfs/dbraw/zinc/45/31/25/525453125.db2.gz STHIRDTZYHQERR-LLVKDONJSA-N 1 1 281.356 2.744 20 5 CFBDMO CSCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000151162283 525496903 /nfs/dbraw/zinc/49/69/03/525496903.db2.gz WBBQCCSXJSPCLO-UHFFFAOYSA-N 1 1 254.355 2.698 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052812465 525576259 /nfs/dbraw/zinc/57/62/59/525576259.db2.gz RIXFOFQGZQMZAT-YHWZYXNKSA-N 1 1 290.367 2.583 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919506 525727439 /nfs/dbraw/zinc/72/74/39/525727439.db2.gz CBWVAYOWGNJQNL-HUUCEWRRSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054111057 525920308 /nfs/dbraw/zinc/92/03/08/525920308.db2.gz LGYSHQXJXVVZSE-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000054111057 525920318 /nfs/dbraw/zinc/92/03/18/525920318.db2.gz LGYSHQXJXVVZSE-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1cn2cc(Nc3nc(C)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000360871467 525954407 /nfs/dbraw/zinc/95/44/07/525954407.db2.gz LZQHNYVXIXTHKE-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305781357 526079940 /nfs/dbraw/zinc/07/99/40/526079940.db2.gz UMUZKAISTUTBOS-KWQFWETISA-N 1 1 292.257 2.511 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305781357 526079952 /nfs/dbraw/zinc/07/99/52/526079952.db2.gz UMUZKAISTUTBOS-KWQFWETISA-N 1 1 292.257 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2F)c(F)c1 ZINC000339588535 527351396 /nfs/dbraw/zinc/35/13/96/527351396.db2.gz APXOHOYKPUXTLX-JQWIXIFHSA-N 1 1 256.252 2.714 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000360537099 527385846 /nfs/dbraw/zinc/38/58/46/527385846.db2.gz OHWHKAVXWPGLHG-LSDHHAIUSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364806826 527386157 /nfs/dbraw/zinc/38/61/57/527386157.db2.gz WSTKUFASPCKHPU-INIZCTEOSA-N 1 1 290.363 2.986 20 5 CFBDMO CC(C)c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414841938 528100502 /nfs/dbraw/zinc/10/05/02/528100502.db2.gz ZSLQVSOFFYDIOB-CQSZACIVSA-N 1 1 291.395 2.807 20 5 CFBDMO CCOc1cc(NC[C@@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000111046005 528327773 /nfs/dbraw/zinc/32/77/73/528327773.db2.gz SFULOZNZQXMSJC-ZDUSSCGKSA-N 1 1 293.367 2.890 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C1CC1 ZINC000175079418 528612776 /nfs/dbraw/zinc/61/27/76/528612776.db2.gz VZHGOKWOGXMDMT-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CCC[C@@H](NC[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423255486 529010122 /nfs/dbraw/zinc/01/01/22/529010122.db2.gz AFUBCZGRNWKQKR-SWLSCSKDSA-N 1 1 279.384 2.881 20 5 CFBDMO CC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551776 535982975 /nfs/dbraw/zinc/98/29/75/535982975.db2.gz VGSOQOUKQVNKSM-HIFRSBDPSA-N 1 1 278.352 2.545 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449772150 536756486 /nfs/dbraw/zinc/75/64/86/536756486.db2.gz GSQVTXZSGMELGG-LLVKDONJSA-N 1 1 284.381 2.905 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727824846 574067520 /nfs/dbraw/zinc/06/75/20/574067520.db2.gz UJIWNPNIKPKFGN-GFCCVEGCSA-N 1 1 274.324 2.776 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049995 574132379 /nfs/dbraw/zinc/13/23/79/574132379.db2.gz ZYSQFEMSHPYTBJ-CHWSQXEVSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049995 574132380 /nfs/dbraw/zinc/13/23/80/574132380.db2.gz ZYSQFEMSHPYTBJ-CHWSQXEVSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C)CC1 ZINC000932348542 617679208 /nfs/dbraw/zinc/67/92/08/617679208.db2.gz GNDHEGYWVXCRIR-VXGBXAGGSA-N 1 1 264.325 2.767 20 5 CFBDMO CC[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891706373 617720275 /nfs/dbraw/zinc/72/02/75/617720275.db2.gz NDGYCERHYMUWBK-NSHDSACASA-N 1 1 294.351 2.931 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657663 617757188 /nfs/dbraw/zinc/75/71/88/617757188.db2.gz ZLMRACVIQDBIBV-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657663 617757193 /nfs/dbraw/zinc/75/71/93/617757193.db2.gz ZLMRACVIQDBIBV-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000891821733 617769273 /nfs/dbraw/zinc/76/92/73/617769273.db2.gz LPXVCACXSLDOQM-LLVKDONJSA-N 1 1 294.351 2.931 20 5 CFBDMO COc1ccc(C[N@H+]2CCCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000934300915 617991990 /nfs/dbraw/zinc/99/19/90/617991990.db2.gz CMJLQVACXVMYMY-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2cccc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000933396704 618218678 /nfs/dbraw/zinc/21/86/78/618218678.db2.gz ZBAVUXJSHHZCKN-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2cccc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000933396704 618218679 /nfs/dbraw/zinc/21/86/79/618218679.db2.gz ZBAVUXJSHHZCKN-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000925592933 618280162 /nfs/dbraw/zinc/28/01/62/618280162.db2.gz IAKDWOSQNZVPGC-STQMWFEESA-N 1 1 277.368 2.590 20 5 CFBDMO COc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)cc1 ZINC000930928435 618338595 /nfs/dbraw/zinc/33/85/95/618338595.db2.gz FZZVMUMHIBSDPU-MRXNPFEDSA-N 1 1 286.331 2.651 20 5 CFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000895190997 618454404 /nfs/dbraw/zinc/45/44/04/618454404.db2.gz CPCZQUXVJGIPMO-NWDGAFQWSA-N 1 1 295.770 2.921 20 5 CFBDMO C[C@H](N)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516137 618855338 /nfs/dbraw/zinc/85/53/38/618855338.db2.gz VOZQLPZZYGCFQW-SUMWQHHRSA-N 1 1 299.374 2.815 20 5 CFBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841694925 619168811 /nfs/dbraw/zinc/16/88/11/619168811.db2.gz YRGYRWYEAITYCN-QWHCGFSZSA-N 1 1 280.372 2.895 20 5 CFBDMO Cc1n[nH]c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000894739854 619455318 /nfs/dbraw/zinc/45/53/18/619455318.db2.gz UPZRXQQAGCMUKG-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC000894914741 619512520 /nfs/dbraw/zinc/51/25/20/619512520.db2.gz YQZOWQCOFYDOFF-GHMZBOCLSA-N 1 1 298.314 2.679 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000895741049 619594155 /nfs/dbraw/zinc/59/41/55/619594155.db2.gz XMTZXNBUBLGQQF-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1cc(NC[C@H]2CC[N@@H+]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000895769344 619602858 /nfs/dbraw/zinc/60/28/58/619602858.db2.gz BUQFOPDAVLDFHW-LLVKDONJSA-N 1 1 286.335 2.567 20 5 CFBDMO CCO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000896405012 619730185 /nfs/dbraw/zinc/73/01/85/619730185.db2.gz VVSFLPOXFCXGQP-LBPRGKRZSA-N 1 1 287.319 2.758 20 5 CFBDMO Cc1ccc(NCCNc2nccc(C)c2[N+](=O)[O-])[nH+]c1 ZINC000896456761 619742063 /nfs/dbraw/zinc/74/20/63/619742063.db2.gz ZZIFKPWZJDKSRB-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000054566546 620407196 /nfs/dbraw/zinc/40/71/96/620407196.db2.gz SCUMCXSMDULLMK-CQSZACIVSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000054566546 620407202 /nfs/dbraw/zinc/40/72/02/620407202.db2.gz SCUMCXSMDULLMK-CQSZACIVSA-N 1 1 286.335 2.894 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000902120335 620982332 /nfs/dbraw/zinc/98/23/32/620982332.db2.gz RUIGJFAJYZJFIB-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO Cc1c(CN[C@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000902375003 621046539 /nfs/dbraw/zinc/04/65/39/621046539.db2.gz FRNDOMLCWNQVAA-AWEZNQCLSA-N 1 1 291.395 2.771 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697006 621149196 /nfs/dbraw/zinc/14/91/96/621149196.db2.gz PBKPVBYPUCSKHS-UHFFFAOYSA-N 1 1 297.261 2.618 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697447 621149741 /nfs/dbraw/zinc/14/97/41/621149741.db2.gz ZJVVXYUIDWWKBY-UHFFFAOYSA-N 1 1 297.261 2.847 20 5 CFBDMO COc1cc([C@@H](C)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903056715 621236067 /nfs/dbraw/zinc/23/60/67/621236067.db2.gz YBOVTHHMRGRVBV-LLVKDONJSA-N 1 1 295.383 2.594 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000903757904 621438589 /nfs/dbraw/zinc/43/85/89/621438589.db2.gz IMYAXQAAURUINM-KBPBESRZSA-N 1 1 291.395 2.944 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000903757905 621438758 /nfs/dbraw/zinc/43/87/58/621438758.db2.gz IMYAXQAAURUINM-KGLIPLIRSA-N 1 1 291.395 2.944 20 5 CFBDMO CCC[N@@H+](C)[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254616 621728231 /nfs/dbraw/zinc/72/82/31/621728231.db2.gz DJTZFMZYJXAMMN-AWEZNQCLSA-N 1 1 299.802 2.589 20 5 CFBDMO CCCN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254616 621728233 /nfs/dbraw/zinc/72/82/33/621728233.db2.gz DJTZFMZYJXAMMN-AWEZNQCLSA-N 1 1 299.802 2.589 20 5 CFBDMO CC[N@H+](c1ccc(NCC[N+](=O)[O-])cc1)C(C)C ZINC000905301038 621745458 /nfs/dbraw/zinc/74/54/58/621745458.db2.gz MKKYEEJTNRPTIW-UHFFFAOYSA-N 1 1 251.330 2.610 20 5 CFBDMO C[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000821343270 622899673 /nfs/dbraw/zinc/89/96/73/622899673.db2.gz VIUSMUUPEIDCBI-UHFFFAOYSA-N 1 1 298.302 2.763 20 5 CFBDMO C[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000821343270 622899679 /nfs/dbraw/zinc/89/96/79/622899679.db2.gz VIUSMUUPEIDCBI-UHFFFAOYSA-N 1 1 298.302 2.763 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226095745 623058182 /nfs/dbraw/zinc/05/81/82/623058182.db2.gz CCGJQSGZYYEPBZ-SNVBAGLBSA-N 1 1 269.732 2.754 20 5 CFBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000171973756 623251732 /nfs/dbraw/zinc/25/17/32/623251732.db2.gz RMULKCUYESTTSQ-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000172850556 623312948 /nfs/dbraw/zinc/31/29/48/623312948.db2.gz UPIXHYQWBYDWQR-BXUZGUMPSA-N 1 1 295.358 2.648 20 5 CFBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388054 623344992 /nfs/dbraw/zinc/34/49/92/623344992.db2.gz IMYUSFVQJGUGGB-NEPJUHHUSA-N 1 1 266.345 2.649 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388043 623345558 /nfs/dbraw/zinc/34/55/58/623345558.db2.gz IMYUSFVQJGUGGB-VXGBXAGGSA-N 1 1 266.345 2.649 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388396 623345643 /nfs/dbraw/zinc/34/56/43/623345643.db2.gz ZJBQFVPEWHSJDR-WCQYABFASA-N 1 1 266.345 2.649 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1Cl ZINC000825336975 623675957 /nfs/dbraw/zinc/67/59/57/623675957.db2.gz BLXPGRQDRZXOKU-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825339064 623676992 /nfs/dbraw/zinc/67/69/92/623676992.db2.gz ZOQFSYFGIFQXSP-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC[N+](=O)[O-] ZINC000929835044 623889510 /nfs/dbraw/zinc/88/95/10/623889510.db2.gz PFBDSEHCIYTWTF-AWEZNQCLSA-N 1 1 250.342 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1Cl ZINC000827601213 624042803 /nfs/dbraw/zinc/04/28/03/624042803.db2.gz CPYLBLAUUJJNKQ-VXGBXAGGSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1Cl ZINC000827601211 624043558 /nfs/dbraw/zinc/04/35/58/624043558.db2.gz CPYLBLAUUJJNKQ-NWDGAFQWSA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1ccc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000828259703 624215706 /nfs/dbraw/zinc/21/57/06/624215706.db2.gz QUHMVAKCGLDYOT-CYBMUJFWSA-N 1 1 289.379 2.824 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829572636 624456854 /nfs/dbraw/zinc/45/68/54/624456854.db2.gz QZAMBSOALUGFON-JTQLQIEISA-N 1 1 299.321 2.792 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000831527673 625042408 /nfs/dbraw/zinc/04/24/08/625042408.db2.gz GRRHHZPBEXGWEA-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000831539880 625047449 /nfs/dbraw/zinc/04/74/49/625047449.db2.gz ZYJUJHXMLCTYQN-GFCCVEGCSA-N 1 1 252.289 2.744 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc31)CCC2 ZINC000834831441 625889695 /nfs/dbraw/zinc/88/96/95/625889695.db2.gz JMBAKXPGQOPLQG-GJZGRUSLSA-N 1 1 298.346 2.903 20 5 CFBDMO C[N@@H+](CCC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000162895761 626403362 /nfs/dbraw/zinc/40/33/62/626403362.db2.gz BLZLGVGDXALQOQ-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C[NH3+] ZINC000923499740 626477417 /nfs/dbraw/zinc/47/74/17/626477417.db2.gz SXNIDBYBPLCHAZ-MNOVXSKESA-N 1 1 297.786 2.665 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1F ZINC000839144559 626526083 /nfs/dbraw/zinc/52/60/83/626526083.db2.gz VEQXXEWBXOOZBJ-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839681189 626552161 /nfs/dbraw/zinc/55/21/61/626552161.db2.gz QNGRYXHYCGOCIH-GDBMZVCRSA-N 1 1 290.363 2.750 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761050397 626794581 /nfs/dbraw/zinc/79/45/81/626794581.db2.gz JNWYJPALULIVEA-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761050397 626794582 /nfs/dbraw/zinc/79/45/82/626794582.db2.gz JNWYJPALULIVEA-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000765640993 627152388 /nfs/dbraw/zinc/15/23/88/627152388.db2.gz IRQBBOHXSFYCIS-RYUDHWBXSA-N 1 1 263.341 2.514 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000775679032 628053768 /nfs/dbraw/zinc/05/37/68/628053768.db2.gz LMPXDQHVFDMCCA-VIFPVBQESA-N 1 1 255.343 2.553 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274988 628124876 /nfs/dbraw/zinc/12/48/76/628124876.db2.gz FDUMUNAUFGRJQW-RISCZKNCSA-N 1 1 266.341 2.605 20 5 CFBDMO CO[C@H]1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038764 634633247 /nfs/dbraw/zinc/63/32/47/634633247.db2.gz RHKUSQSVWLXGIA-KGLIPLIRSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776598567 628164271 /nfs/dbraw/zinc/16/42/71/628164271.db2.gz RNJVUYKIGQOCLL-JMSVASOKSA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1nn(C[N@@H+]2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000783542032 628718704 /nfs/dbraw/zinc/71/87/04/628718704.db2.gz FPZKAQGBCOBCAN-UHFFFAOYSA-N 1 1 278.356 2.713 20 5 CFBDMO Cc1nn(C[N@H+]2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000783542032 628718705 /nfs/dbraw/zinc/71/87/05/628718705.db2.gz FPZKAQGBCOBCAN-UHFFFAOYSA-N 1 1 278.356 2.713 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000783571224 628721761 /nfs/dbraw/zinc/72/17/61/628721761.db2.gz JWHFLAXAZQJLEO-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(O)CCC1 ZINC000783674099 628733343 /nfs/dbraw/zinc/73/33/43/628733343.db2.gz UJUTYTZLSLQUGI-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680286 628734109 /nfs/dbraw/zinc/73/41/09/628734109.db2.gz WAIYTQDHKBHYOG-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785546598 628892537 /nfs/dbraw/zinc/89/25/37/628892537.db2.gz QRVSWDGCIPEBPQ-ZETOZRRWSA-N 1 1 296.342 2.715 20 5 CFBDMO Cc1nn(C[N@@H+]2CCSC(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000788377412 629061303 /nfs/dbraw/zinc/06/13/03/629061303.db2.gz UWDVADVYXPRBDZ-UHFFFAOYSA-N 1 1 298.412 2.583 20 5 CFBDMO Cc1nn(C[N@H+]2CCSC(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000788377412 629061306 /nfs/dbraw/zinc/06/13/06/629061306.db2.gz UWDVADVYXPRBDZ-UHFFFAOYSA-N 1 1 298.412 2.583 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290433 634712252 /nfs/dbraw/zinc/71/22/52/634712252.db2.gz IAEUIDBDNUFBBM-RISCZKNCSA-N 1 1 266.341 2.749 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000791054793 629284149 /nfs/dbraw/zinc/28/41/49/629284149.db2.gz XVZVMCVIFJWCDK-UHFFFAOYSA-N 1 1 288.269 2.947 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000791054793 629284151 /nfs/dbraw/zinc/28/41/51/629284151.db2.gz XVZVMCVIFJWCDK-UHFFFAOYSA-N 1 1 288.269 2.947 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000791052454 629284203 /nfs/dbraw/zinc/28/42/03/629284203.db2.gz OFJWCKJQQZQVBS-QWHCGFSZSA-N 1 1 298.408 2.693 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000791054606 629284327 /nfs/dbraw/zinc/28/43/27/629284327.db2.gz WGCVJNXCXPPZAO-UHFFFAOYSA-N 1 1 254.717 2.581 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000791054606 629284329 /nfs/dbraw/zinc/28/43/29/629284329.db2.gz WGCVJNXCXPPZAO-UHFFFAOYSA-N 1 1 254.717 2.581 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792871914 629460833 /nfs/dbraw/zinc/46/08/33/629460833.db2.gz NUTWWYDFFSYHOG-AOOOYVTPSA-N 1 1 279.296 2.876 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000794685957 629674276 /nfs/dbraw/zinc/67/42/76/629674276.db2.gz OKEKKICZYNQOQN-NSHDSACASA-N 1 1 266.345 2.568 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794704971 629677812 /nfs/dbraw/zinc/67/78/12/629677812.db2.gz HKCNORMWWOFICJ-NSHDSACASA-N 1 1 266.345 2.507 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc([N+](=O)[O-])cc1 ZINC000794838687 629693088 /nfs/dbraw/zinc/69/30/88/629693088.db2.gz ZPANRMGRQJYAMQ-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000795192733 629743675 /nfs/dbraw/zinc/74/36/75/629743675.db2.gz NLBJRWNQWTWCMA-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000799155709 630281180 /nfs/dbraw/zinc/28/11/80/630281180.db2.gz RURFTVFFLQIKLV-SECBINFHSA-N 1 1 292.726 2.889 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000852716079 634812917 /nfs/dbraw/zinc/81/29/17/634812917.db2.gz HKJRWDDQYSPFAX-UHFFFAOYSA-N 1 1 297.374 2.944 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)C1 ZINC000804444112 630681792 /nfs/dbraw/zinc/68/17/92/630681792.db2.gz UYHRHGWCGKTVRA-GFCCVEGCSA-N 1 1 291.351 2.551 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000804520023 630689359 /nfs/dbraw/zinc/68/93/59/630689359.db2.gz BAVJKLUYMYWVCT-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])s1)C(C)C ZINC000811799180 631624261 /nfs/dbraw/zinc/62/42/61/631624261.db2.gz RLEYLHMYHRLGSV-UHFFFAOYSA-N 1 1 257.359 2.799 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000812780419 631772991 /nfs/dbraw/zinc/77/29/91/631772991.db2.gz DLTJQKSUAMFMFV-LLVKDONJSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1cc(-c2noc([C@@H]([NH3+])CC(F)F)n2)cc([N+](=O)[O-])c1 ZINC000843240443 631911439 /nfs/dbraw/zinc/91/14/39/631911439.db2.gz WQWHKZXPPSHZRO-VIFPVBQESA-N 1 1 298.249 2.608 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000814929201 632169495 /nfs/dbraw/zinc/16/94/95/632169495.db2.gz ODXQMTSXPCRROW-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1C ZINC000814929201 632169501 /nfs/dbraw/zinc/16/95/01/632169501.db2.gz ODXQMTSXPCRROW-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597740 632295428 /nfs/dbraw/zinc/29/54/28/632295428.db2.gz FCNHSZIYAMDGGF-VIFPVBQESA-N 1 1 290.298 2.562 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845739787 632545876 /nfs/dbraw/zinc/54/58/76/632545876.db2.gz KDHDTYJARJHHRC-CYBMUJFWSA-N 1 1 292.335 2.624 20 5 CFBDMO C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccccc1[N+](=O)[O-] ZINC000848546973 633285475 /nfs/dbraw/zinc/28/54/75/633285475.db2.gz HCZSYEZHTUPDFB-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000853553609 635034956 /nfs/dbraw/zinc/03/49/56/635034956.db2.gz GBDDSWHDMLLMER-CYBMUJFWSA-N 1 1 278.356 2.651 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000853553609 635034958 /nfs/dbraw/zinc/03/49/58/635034958.db2.gz GBDDSWHDMLLMER-CYBMUJFWSA-N 1 1 278.356 2.651 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000853687616 635075177 /nfs/dbraw/zinc/07/51/77/635075177.db2.gz XPKCYBZAGKPRJK-GFCCVEGCSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512240 636017901 /nfs/dbraw/zinc/01/79/01/636017901.db2.gz MHAHSKNSWUTBFS-GXTWGEPZSA-N 1 1 286.335 2.627 20 5 CFBDMO CCc1[nH+]c(C)cn1CCOc1ccccc1[N+](=O)[O-] ZINC000865392464 638302599 /nfs/dbraw/zinc/30/25/99/638302599.db2.gz INIXREUKPTWPEG-UHFFFAOYSA-N 1 1 275.308 2.741 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H](F)[C@@H](F)C3)c2c1 ZINC000865848483 638611505 /nfs/dbraw/zinc/61/15/05/638611505.db2.gz IMMPXJJDXUNTBK-PHIMTYICSA-N 1 1 279.246 2.639 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866208357 638770845 /nfs/dbraw/zinc/77/08/45/638770845.db2.gz TZCRAMHEZWJFIL-ZWNOBZJWSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866208355 638770920 /nfs/dbraw/zinc/77/09/20/638770920.db2.gz TZCRAMHEZWJFIL-GXFFZTMASA-N 1 1 295.770 2.779 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000866540469 638838916 /nfs/dbraw/zinc/83/89/16/638838916.db2.gz OTEUQBILAICRJT-LBPRGKRZSA-N 1 1 288.351 2.796 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034475 641565708 /nfs/dbraw/zinc/56/57/08/641565708.db2.gz OTNVZXUDGJFEBL-MNOVXSKESA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034475 641565713 /nfs/dbraw/zinc/56/57/13/641565713.db2.gz OTNVZXUDGJFEBL-MNOVXSKESA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034477 641566369 /nfs/dbraw/zinc/56/63/69/641566369.db2.gz OTNVZXUDGJFEBL-QWRGUYRKSA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034477 641566373 /nfs/dbraw/zinc/56/63/73/641566373.db2.gz OTNVZXUDGJFEBL-QWRGUYRKSA-N 1 1 293.342 2.621 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780723 641934525 /nfs/dbraw/zinc/93/45/25/641934525.db2.gz MTYCVWKWAVLUJW-NWDGAFQWSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781388 641936037 /nfs/dbraw/zinc/93/60/37/641936037.db2.gz SMXKJZCNSLVVME-OLZOCXBDSA-N 1 1 275.352 2.576 20 5 CFBDMO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000873013226 641984379 /nfs/dbraw/zinc/98/43/79/641984379.db2.gz XIOISLJNGWOQGL-OAHLLOKOSA-N 1 1 291.395 2.867 20 5 CFBDMO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000873013225 641984527 /nfs/dbraw/zinc/98/45/27/641984527.db2.gz XIOISLJNGWOQGL-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@](C)(O)C1 ZINC000876757929 642997276 /nfs/dbraw/zinc/99/72/76/642997276.db2.gz CNXUCNKOKVWOHS-HNNXBMFYSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000876804934 643016403 /nfs/dbraw/zinc/01/64/03/643016403.db2.gz WKYAPTAGRYUGAL-CJNGLKHVSA-N 1 1 292.379 2.804 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000876972465 643088130 /nfs/dbraw/zinc/08/81/30/643088130.db2.gz KUTMGRVOUYOZNY-UHFFFAOYSA-N 1 1 273.292 2.750 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877524338 643327709 /nfs/dbraw/zinc/32/77/09/643327709.db2.gz VNELLILWUCENTJ-LLVKDONJSA-N 1 1 266.341 2.678 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000877559661 643360390 /nfs/dbraw/zinc/36/03/90/643360390.db2.gz RISBKCRYEOJSMU-LLVKDONJSA-N 1 1 252.289 2.755 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](F)C1 ZINC000877559661 643360396 /nfs/dbraw/zinc/36/03/96/643360396.db2.gz RISBKCRYEOJSMU-LLVKDONJSA-N 1 1 252.289 2.755 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000877738958 643502585 /nfs/dbraw/zinc/50/25/85/643502585.db2.gz QTZXREBBEPHCIE-KGLIPLIRSA-N 1 1 292.404 2.822 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877835344 643601887 /nfs/dbraw/zinc/60/18/87/643601887.db2.gz PKSULHPASVZALB-BRLPQQTGSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)[C@H](O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202841 643792481 /nfs/dbraw/zinc/79/24/81/643792481.db2.gz UOOREXKUONIENH-MRXNPFEDSA-N 1 1 292.379 2.966 20 5 CFBDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000878203180 643793139 /nfs/dbraw/zinc/79/31/39/643793139.db2.gz ZVGADBIZVLOWII-AKAXFMLLSA-N 1 1 290.363 2.984 20 5 CFBDMO C=C/C=C/CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251651 643808122 /nfs/dbraw/zinc/80/81/22/643808122.db2.gz PQVHPCRKKBUZEX-ITDFMYJTSA-N 1 1 288.351 2.608 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000878319887 643838099 /nfs/dbraw/zinc/83/80/99/643838099.db2.gz CQSVDLKDHXOUEY-LLVKDONJSA-N 1 1 270.279 2.990 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325226 644232578 /nfs/dbraw/zinc/23/25/78/644232578.db2.gz JKYSRRPPRNFVPN-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325226 644232582 /nfs/dbraw/zinc/23/25/82/644232582.db2.gz JKYSRRPPRNFVPN-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(F)CC3)nc2c1 ZINC000880242092 644605981 /nfs/dbraw/zinc/60/59/81/644605981.db2.gz PCQNTKTWJRVBOL-UHFFFAOYSA-N 1 1 279.271 2.670 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CF)C2)cc1 ZINC000880295770 644635448 /nfs/dbraw/zinc/63/54/48/644635448.db2.gz OTHWQXXWNJHZPD-GFCCVEGCSA-N 1 1 282.315 2.655 20 5 CFBDMO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000881807916 645131775 /nfs/dbraw/zinc/13/17/75/645131775.db2.gz GZADYSQGFLEEDY-WDEREUQCSA-N 1 1 296.346 2.661 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000882958759 645528506 /nfs/dbraw/zinc/52/85/06/645528506.db2.gz JQFGHGMOGDADGR-CYBMUJFWSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756405 645563757 /nfs/dbraw/zinc/56/37/57/645563757.db2.gz GDOLQHAEEVTEBM-VXGBXAGGSA-N 1 1 266.345 2.649 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000886065838 646851777 /nfs/dbraw/zinc/85/17/77/646851777.db2.gz WLAWUGULTPSIQV-UHFFFAOYSA-N 1 1 287.294 2.908 20 5 CFBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166991 646904880 /nfs/dbraw/zinc/90/48/80/646904880.db2.gz XNQJMKGWMPNHBY-UTUOFQBUSA-N 1 1 263.341 2.856 20 5 CFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000886209442 646922229 /nfs/dbraw/zinc/92/22/29/646922229.db2.gz NAAIFSDUSRQPFE-CYBMUJFWSA-N 1 1 293.367 2.769 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000218795082 646927485 /nfs/dbraw/zinc/92/74/85/646927485.db2.gz PPJFLUJOCPHDQZ-SNVBAGLBSA-N 1 1 269.320 2.876 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000886245465 646935974 /nfs/dbraw/zinc/93/59/74/646935974.db2.gz WTSHBYDWVGMPFP-UHFFFAOYSA-N 1 1 293.392 2.851 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000886249243 646937353 /nfs/dbraw/zinc/93/73/53/646937353.db2.gz GBVIKQJSSFVLLD-UHFFFAOYSA-N 1 1 291.351 2.523 20 5 CFBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886290349 646956595 /nfs/dbraw/zinc/95/65/95/646956595.db2.gz BVSGDXSXRIXJNZ-CQSZACIVSA-N 1 1 293.367 2.627 20 5 CFBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886290349 646956597 /nfs/dbraw/zinc/95/65/97/646956597.db2.gz BVSGDXSXRIXJNZ-CQSZACIVSA-N 1 1 293.367 2.627 20 5 CFBDMO Cc1c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246164 646991114 /nfs/dbraw/zinc/99/11/14/646991114.db2.gz YRVZHIFNDYPEPR-HOCLYGCPSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246164 646991116 /nfs/dbraw/zinc/99/11/16/646991116.db2.gz YRVZHIFNDYPEPR-HOCLYGCPSA-N 1 1 289.379 2.620 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886836088 647157650 /nfs/dbraw/zinc/15/76/50/647157650.db2.gz VLQRBARUWNWFSB-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834733 647157693 /nfs/dbraw/zinc/15/76/93/647157693.db2.gz CCKKFKHYUUGWIM-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000925739873 648305842 /nfs/dbraw/zinc/30/58/42/648305842.db2.gz ANNLUCONMOLFMG-NSHDSACASA-N 1 1 265.357 2.681 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)nn1 ZINC000930234738 649211281 /nfs/dbraw/zinc/21/12/81/649211281.db2.gz GIDRAEKXYBWKIR-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO CCOC(=O)/C=C/C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930555902 649272611 /nfs/dbraw/zinc/27/26/11/649272611.db2.gz XXNBWSFDAGYRQO-JXMROGBWSA-N 1 1 292.335 2.539 20 5 CFBDMO COc1ccccc1[C@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000931565743 649455416 /nfs/dbraw/zinc/45/54/16/649455416.db2.gz WUBUHXKCXYZCSZ-ZDUSSCGKSA-N 1 1 278.352 2.541 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932387795 649591830 /nfs/dbraw/zinc/59/18/30/649591830.db2.gz ZNFLLZOPYRFCOL-AWEZNQCLSA-N 1 1 284.319 2.626 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396462 649691819 /nfs/dbraw/zinc/69/18/19/649691819.db2.gz RFZWORXXKVGNRY-LLVKDONJSA-N 1 1 287.319 2.888 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396462 649691820 /nfs/dbraw/zinc/69/18/20/649691820.db2.gz RFZWORXXKVGNRY-LLVKDONJSA-N 1 1 287.319 2.888 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105829 649750530 /nfs/dbraw/zinc/75/05/30/649750530.db2.gz QFMQPWSUKMUPPI-GXTWGEPZSA-N 1 1 264.325 2.512 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127676 649753036 /nfs/dbraw/zinc/75/30/36/649753036.db2.gz NZMAOOTXPLGFHF-DDTOSNHZSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC[C@@]2(C)C2CC2)cccc1[N+](=O)[O-] ZINC000934480696 649793250 /nfs/dbraw/zinc/79/32/50/649793250.db2.gz JYDFFMAAAQNYQU-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCOC[C@@]2(C)C2CC2)cccc1[N+](=O)[O-] ZINC000934480696 649793254 /nfs/dbraw/zinc/79/32/54/649793254.db2.gz JYDFFMAAAQNYQU-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934765690 649825638 /nfs/dbraw/zinc/82/56/38/649825638.db2.gz HELOWECRSBRMIZ-RISCZKNCSA-N 1 1 296.367 2.919 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001167281403 770206907 /nfs/dbraw/zinc/20/69/07/770206907.db2.gz ZFQKQCLMNYSWKF-NSHDSACASA-N 1 1 271.320 2.864 20 5 CFBDMO CC[NH+]1CC(OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204631 775129162 /nfs/dbraw/zinc/12/91/62/775129162.db2.gz UNIFGCHFXUKMAA-UHFFFAOYSA-N 1 1 286.331 2.969 20 5 CFBDMO C[N@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331254 775159755 /nfs/dbraw/zinc/15/97/55/775159755.db2.gz NSPACVFPXOQHTB-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000725378182 775366220 /nfs/dbraw/zinc/36/62/20/775366220.db2.gz XZNKFAZNVSOJCH-UHFFFAOYSA-N 1 1 256.252 2.826 20 5 CFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225630820 775531766 /nfs/dbraw/zinc/53/17/66/775531766.db2.gz GKBORVANGOKQSA-IMRBUKKESA-N 1 1 291.351 2.772 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000694707228 775552437 /nfs/dbraw/zinc/55/24/37/775552437.db2.gz NYIATBZRQCMCAP-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000694707228 775552447 /nfs/dbraw/zinc/55/24/47/775552447.db2.gz NYIATBZRQCMCAP-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293093018 775560398 /nfs/dbraw/zinc/56/03/98/775560398.db2.gz KOSYBWKTMBYESC-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001225767625 775587879 /nfs/dbraw/zinc/58/78/79/775587879.db2.gz QKHFNBLEHSDGIO-PJXYFTJBSA-N 1 1 292.335 2.607 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001225804408 775598365 /nfs/dbraw/zinc/59/83/65/775598365.db2.gz SHTMUMLPKZWPBZ-CYBMUJFWSA-N 1 1 292.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225915736 775633965 /nfs/dbraw/zinc/63/39/65/775633965.db2.gz MKHBEXYBCSZIEU-LBPRGKRZSA-N 1 1 282.315 2.986 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225943328 775643600 /nfs/dbraw/zinc/64/36/00/775643600.db2.gz YSGJISMJYYKSEA-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1F ZINC001225945426 775643805 /nfs/dbraw/zinc/64/38/05/775643805.db2.gz GFMYANAOKZAKJQ-HBYGRHMLSA-N 1 1 294.326 2.843 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226179408 775726507 /nfs/dbraw/zinc/72/65/07/775726507.db2.gz AKAQUNZLIGUNAP-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001226744850 775943768 /nfs/dbraw/zinc/94/37/68/775943768.db2.gz UULDITBLSJBGPT-DOFRTFSJSA-N 1 1 298.289 2.877 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908121 776011289 /nfs/dbraw/zinc/01/12/89/776011289.db2.gz DNSJXDYFYCQFID-MRVPVSSYSA-N 1 1 288.706 2.860 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)CC1 ZINC001226969698 776038849 /nfs/dbraw/zinc/03/88/49/776038849.db2.gz SURWPUVUDQSDPC-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227239660 776152797 /nfs/dbraw/zinc/15/27/97/776152797.db2.gz ZPHCWZYXVNSMQE-SNVBAGLBSA-N 1 1 291.307 2.599 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014010 776362918 /nfs/dbraw/zinc/36/29/18/776362918.db2.gz CTOLUJIXHZGKEJ-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135766 776405626 /nfs/dbraw/zinc/40/56/26/776405626.db2.gz MVHOEFPMXFFAHP-NSHDSACASA-N 1 1 287.319 2.616 20 5 CFBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228572313 776525843 /nfs/dbraw/zinc/52/58/43/776525843.db2.gz ZBKKEPSMIKNSMO-ZDUSSCGKSA-N 1 1 287.319 2.802 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001229379454 776795811 /nfs/dbraw/zinc/79/58/11/776795811.db2.gz FNYRVKPPOINMPB-JTQLQIEISA-N 1 1 293.710 2.839 20 5 CFBDMO Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001230143248 776955209 /nfs/dbraw/zinc/95/52/09/776955209.db2.gz HRZUERWDLBHECZ-ITGUQSILSA-N 1 1 276.336 2.907 20 5 CFBDMO Cc1cc(OC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471445 776996313 /nfs/dbraw/zinc/99/63/13/776996313.db2.gz GQXIUGUJKQKNIJ-UHFFFAOYSA-N 1 1 264.325 2.683 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667860 777158427 /nfs/dbraw/zinc/15/84/27/777158427.db2.gz VHRPWDZGPPMZCB-JTQLQIEISA-N 1 1 268.288 2.595 20 5 CFBDMO CC[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001168002931 777566989 /nfs/dbraw/zinc/56/69/89/777566989.db2.gz FQIFEAOMKGBRQQ-JTQLQIEISA-N 1 1 263.341 2.793 20 5 CFBDMO CC[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001168002931 777566994 /nfs/dbraw/zinc/56/69/94/777566994.db2.gz FQIFEAOMKGBRQQ-JTQLQIEISA-N 1 1 263.341 2.793 20 5 CFBDMO Cc1cc(OC2C[NH+](C(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871471 778318256 /nfs/dbraw/zinc/31/82/56/778318256.db2.gz IMIKUJLJPIECMM-UHFFFAOYSA-N 1 1 278.352 2.991 20 5 CFBDMO C[N+](C)(C)CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224775949 778681412 /nfs/dbraw/zinc/68/14/12/778681412.db2.gz QDGQXKDCAXXCLQ-MRXNPFEDSA-N 1 1 297.850 2.637 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764351 779084098 /nfs/dbraw/zinc/08/40/98/779084098.db2.gz CFNCHEYFANAJAZ-VIFPVBQESA-N 1 1 286.278 2.735 20 5 CFBDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000691315056 779867791 /nfs/dbraw/zinc/86/77/91/779867791.db2.gz RNGDGHXSCMWYOP-VIFPVBQESA-N 1 1 284.743 2.593 20 5 CFBDMO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000691360456 780353229 /nfs/dbraw/zinc/35/32/29/780353229.db2.gz RYTBNCFBHXDWJE-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO CSCCCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163879523 781601856 /nfs/dbraw/zinc/60/18/56/781601856.db2.gz DOGYRVWFORVAFW-UHFFFAOYSA-N 1 1 295.408 2.748 20 5 CFBDMO CSCCCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163879523 781601859 /nfs/dbraw/zinc/60/18/59/781601859.db2.gz DOGYRVWFORVAFW-UHFFFAOYSA-N 1 1 295.408 2.748 20 5 CFBDMO Cc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000273060289 192033338 /nfs/dbraw/zinc/03/33/38/192033338.db2.gz YIRAGPOENKZYLC-LBPRGKRZSA-N 1 1 275.352 2.966 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594955898 349528501 /nfs/dbraw/zinc/52/85/01/349528501.db2.gz GXWXMRHWLAUIOH-NSHDSACASA-N 1 1 283.397 2.619 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594955895 349528531 /nfs/dbraw/zinc/52/85/31/349528531.db2.gz GXWXMRHWLAUIOH-LLVKDONJSA-N 1 1 283.397 2.619 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+](C)C(C)C ZINC000595042870 349561895 /nfs/dbraw/zinc/56/18/95/349561895.db2.gz SXKNHGXWJMCVGP-GFCCVEGCSA-N 1 1 295.383 2.594 20 5 CFBDMO COC(=O)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595320958 349601367 /nfs/dbraw/zinc/60/13/67/349601367.db2.gz UXLZKAJJWXLODD-UHFFFAOYSA-N 1 1 298.314 2.507 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595318775 349601449 /nfs/dbraw/zinc/60/14/49/349601449.db2.gz NJCHHDBSXACMFG-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595318775 349601452 /nfs/dbraw/zinc/60/14/52/349601452.db2.gz NJCHHDBSXACMFG-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330166 349603172 /nfs/dbraw/zinc/60/31/72/349603172.db2.gz KAUFDZDKXSRYCL-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO CCS[C@H]1CC[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331938 349603418 /nfs/dbraw/zinc/60/34/18/349603418.db2.gz ZGBYKAFLEXISPC-QWRGUYRKSA-N 1 1 299.396 2.997 20 5 CFBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331938 349603419 /nfs/dbraw/zinc/60/34/19/349603419.db2.gz ZGBYKAFLEXISPC-QWRGUYRKSA-N 1 1 299.396 2.997 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000068334742 346848427 /nfs/dbraw/zinc/84/84/27/346848427.db2.gz KYCPZCMEHFSDNP-LBPRGKRZSA-N 1 1 293.367 2.818 20 5 CFBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCC1 ZINC000595290569 349591886 /nfs/dbraw/zinc/59/18/86/349591886.db2.gz MBKNWDAUZBCJPX-UHFFFAOYSA-N 1 1 253.302 2.656 20 5 CFBDMO CC(C)=CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423131 349620574 /nfs/dbraw/zinc/62/05/74/349620574.db2.gz JLMHZOPDEAPBQN-UHFFFAOYSA-N 1 1 261.325 2.704 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294972925 199277751 /nfs/dbraw/zinc/27/77/51/199277751.db2.gz JFTOKYOUWPMQAU-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442291 349627949 /nfs/dbraw/zinc/62/79/49/349627949.db2.gz REUTUEYTFWSZRT-WCBMZHEXSA-N 1 1 253.302 2.512 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458058 349632909 /nfs/dbraw/zinc/63/29/09/349632909.db2.gz HVNHAIVTQGTOTI-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458058 349632912 /nfs/dbraw/zinc/63/29/12/349632912.db2.gz HVNHAIVTQGTOTI-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(C[N@@H+]2CCSC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595469163 349636602 /nfs/dbraw/zinc/63/66/02/349636602.db2.gz UVKDYDORONYBFE-UHFFFAOYSA-N 1 1 285.369 2.609 20 5 CFBDMO Cc1noc(C[N@H+]2CCSC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595469163 349636605 /nfs/dbraw/zinc/63/66/05/349636605.db2.gz UVKDYDORONYBFE-UHFFFAOYSA-N 1 1 285.369 2.609 20 5 CFBDMO CC1=CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471611 349636775 /nfs/dbraw/zinc/63/67/75/349636775.db2.gz CFORMYCOSVTGHV-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC1=CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471611 349636778 /nfs/dbraw/zinc/63/67/78/349636778.db2.gz CFORMYCOSVTGHV-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO Cc1noc(C[N@H+]2[C@@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000595521312 349649975 /nfs/dbraw/zinc/64/99/75/349649975.db2.gz APKAHDUHZZMBIA-QMMMGPOBSA-N 1 1 253.302 2.654 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595524286 349650817 /nfs/dbraw/zinc/65/08/17/349650817.db2.gz KTHCGMORCVEWIZ-PHIMTYICSA-N 1 1 265.313 2.513 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565079 349661450 /nfs/dbraw/zinc/66/14/50/349661450.db2.gz AMWLHVSABPBVKT-STQMWFEESA-N 1 1 276.336 2.848 20 5 CFBDMO Cc1noc(C[NH+]2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000595657916 349692260 /nfs/dbraw/zinc/69/22/60/349692260.db2.gz CLTSMCSHVVMROY-UHFFFAOYSA-N 1 1 279.340 2.903 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670150 349694906 /nfs/dbraw/zinc/69/49/06/349694906.db2.gz AGDBEWCOWWZNSY-BBRMVZONSA-N 1 1 292.379 2.620 20 5 CFBDMO C[N@H+]1CCC[C@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000125945389 187205659 /nfs/dbraw/zinc/20/56/59/187205659.db2.gz FPXJTWVTZNTVTB-JTQLQIEISA-N 1 1 267.354 2.566 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000595740995 349720743 /nfs/dbraw/zinc/72/07/43/349720743.db2.gz TWSKWJCLRFYSNF-AWEZNQCLSA-N 1 1 292.383 2.694 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749099 349723086 /nfs/dbraw/zinc/72/30/86/349723086.db2.gz DLBUEBCLPSQMBM-WBMJQRKESA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755862 349724903 /nfs/dbraw/zinc/72/49/03/349724903.db2.gz DWYJOWYQYNRDQF-LALPHHSUSA-N 1 1 276.336 2.624 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756944 349725024 /nfs/dbraw/zinc/72/50/24/349725024.db2.gz HUWJVQHHSYIPIT-ZLDLUXBVSA-N 1 1 276.336 2.624 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595830782 349744622 /nfs/dbraw/zinc/74/46/22/349744622.db2.gz LVMOYXGGCMCEKV-BFHYXJOUSA-N 1 1 290.363 2.933 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595780343 349731690 /nfs/dbraw/zinc/73/16/90/349731690.db2.gz IYALXHVJKSVLQZ-NEPJUHHUSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595784643 349732783 /nfs/dbraw/zinc/73/27/83/349732783.db2.gz UNLLNKTXTMIUTL-NEPJUHHUSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595784643 349732785 /nfs/dbraw/zinc/73/27/85/349732785.db2.gz UNLLNKTXTMIUTL-NEPJUHHUSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC2(COC2)C1 ZINC000595835692 349748065 /nfs/dbraw/zinc/74/80/65/349748065.db2.gz WCWPVUKZHRGUTO-GFCCVEGCSA-N 1 1 276.336 2.687 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596094458 349793061 /nfs/dbraw/zinc/79/30/61/349793061.db2.gz RGOQYHLKMMHLFY-JTQLQIEISA-N 1 1 269.370 2.859 20 5 CFBDMO CN1CCN(Cc2csc([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000331954363 136383087 /nfs/dbraw/zinc/38/30/87/136383087.db2.gz IRMOCCXXTKEEBX-UHFFFAOYSA-N 1 1 290.348 2.508 20 5 CFBDMO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000596244889 349838851 /nfs/dbraw/zinc/83/88/51/349838851.db2.gz VJDMLWCIRQFWGJ-CQSZACIVSA-N 1 1 295.408 2.887 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128025276 187346637 /nfs/dbraw/zinc/34/66/37/187346637.db2.gz VLWGKEZBCGNAJK-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268326 349848068 /nfs/dbraw/zinc/84/80/68/349848068.db2.gz HXXKIIPAJHQLJU-ZDUSSCGKSA-N 1 1 292.383 2.527 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596307746 349858994 /nfs/dbraw/zinc/85/89/94/349858994.db2.gz ONUHOZVJBBVKAG-LLVKDONJSA-N 1 1 278.356 2.522 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000596309279 349859020 /nfs/dbraw/zinc/85/90/20/349859020.db2.gz XLZACNJDTHCMLZ-NSHDSACASA-N 1 1 263.341 2.880 20 5 CFBDMO CCC[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000074258626 347005667 /nfs/dbraw/zinc/00/56/67/347005667.db2.gz OCRVWHVHWOMFHR-UHFFFAOYSA-N 1 1 263.341 2.517 20 5 CFBDMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596478466 349913862 /nfs/dbraw/zinc/91/38/62/349913862.db2.gz NLCCEEBKOLVSTI-GFCCVEGCSA-N 1 1 290.367 2.809 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000413442285 530061031 /nfs/dbraw/zinc/06/10/31/530061031.db2.gz QIDCOAVINWTZTG-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO CCC[N@H+]1CC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596518499 349928227 /nfs/dbraw/zinc/92/82/27/349928227.db2.gz VDVKCEBCQNROBA-SNVBAGLBSA-N 1 1 269.370 2.861 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000596544106 349937289 /nfs/dbraw/zinc/93/72/89/349937289.db2.gz YBWRDQUWWHRUIG-UHFFFAOYSA-N 1 1 280.372 2.831 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000273268627 192093615 /nfs/dbraw/zinc/09/36/15/192093615.db2.gz JJBBCAFSVDMUAQ-NEPJUHHUSA-N 1 1 298.408 2.885 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000273268627 192093617 /nfs/dbraw/zinc/09/36/17/192093617.db2.gz JJBBCAFSVDMUAQ-NEPJUHHUSA-N 1 1 298.408 2.885 20 5 CFBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000029914445 346284612 /nfs/dbraw/zinc/28/46/12/346284612.db2.gz OTLXDGWBTGUEES-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000029914445 346284614 /nfs/dbraw/zinc/28/46/14/346284614.db2.gz OTLXDGWBTGUEES-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000027136024 346267657 /nfs/dbraw/zinc/26/76/57/346267657.db2.gz HKOJCERIIOSQAR-JTQLQIEISA-N 1 1 293.367 2.560 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000030269537 346287613 /nfs/dbraw/zinc/28/76/13/346287613.db2.gz SNBDDMUAQCOWEH-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000037649788 346332232 /nfs/dbraw/zinc/33/22/32/346332232.db2.gz CSQYUCCYJIUAIR-GFCCVEGCSA-N 1 1 275.352 2.799 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000038037537 346336739 /nfs/dbraw/zinc/33/67/39/346336739.db2.gz CXMLFRQWROJBRQ-LLVKDONJSA-N 1 1 286.335 2.852 20 5 CFBDMO 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351205520 /nfs/dbraw/zinc/20/55/20/351205520.db2.gz LAHWXONTLUIYLX-NSHDSACASA-N 1 1 298.364 2.574 20 5 CFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000604304908 351205524 /nfs/dbraw/zinc/20/55/24/351205524.db2.gz LAHWXONTLUIYLX-NSHDSACASA-N 1 1 298.364 2.574 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000604409262 351211446 /nfs/dbraw/zinc/21/14/46/351211446.db2.gz LMRKVVRWFGRYGW-VIFPVBQESA-N 1 1 267.354 2.553 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000604409244 351211640 /nfs/dbraw/zinc/21/16/40/351211640.db2.gz IIETXWHBKJCUQV-NXEZZACHSA-N 1 1 267.354 2.695 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157642 351489525 /nfs/dbraw/zinc/48/95/25/351489525.db2.gz MDLGODUZOGEURT-OAHLLOKOSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157292 351489819 /nfs/dbraw/zinc/48/98/19/351489819.db2.gz BGTVGNLOCMJZRB-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO COC(C)(C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610720741 351597061 /nfs/dbraw/zinc/59/70/61/351597061.db2.gz LYPQYCCMJAWYDX-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610720741 351597066 /nfs/dbraw/zinc/59/70/66/351597066.db2.gz LYPQYCCMJAWYDX-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000610762797 351605266 /nfs/dbraw/zinc/60/52/66/351605266.db2.gz WXXRSLIFLIRATH-RYUDHWBXSA-N 1 1 262.309 2.588 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000611146410 351645205 /nfs/dbraw/zinc/64/52/05/351645205.db2.gz MNQGEPQMEHJOIH-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000611203030 351651507 /nfs/dbraw/zinc/65/15/07/351651507.db2.gz RDXZZEHPVHGMCE-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611221660 351652411 /nfs/dbraw/zinc/65/24/11/351652411.db2.gz JHPBMGQDRIYHEM-UWVGGRQHSA-N 1 1 298.774 2.562 20 5 CFBDMO C[C@H]1COCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611272348 351662519 /nfs/dbraw/zinc/66/25/19/351662519.db2.gz AXWTVVAZSSIVHA-IRBQFCFKSA-N 1 1 276.336 2.719 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCOC2)C2CC2)c1 ZINC000610864865 351617480 /nfs/dbraw/zinc/61/74/80/351617480.db2.gz LQUYBUTXFFRJAI-AWEZNQCLSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611411732 351685121 /nfs/dbraw/zinc/68/51/21/351685121.db2.gz XDLCUYURCYLYHM-VIFPVBQESA-N 1 1 267.354 2.553 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000611413826 351686853 /nfs/dbraw/zinc/68/68/53/351686853.db2.gz YUAMOWHCUTVART-WDEREUQCSA-N 1 1 281.381 2.577 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611501557 351697794 /nfs/dbraw/zinc/69/77/94/351697794.db2.gz FFOXSTHVHCWNFF-RISCZKNCSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611501557 351697796 /nfs/dbraw/zinc/69/77/96/351697796.db2.gz FFOXSTHVHCWNFF-RISCZKNCSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501457 351698253 /nfs/dbraw/zinc/69/82/53/351698253.db2.gz CCPGITXMDUEHII-RISCZKNCSA-N 1 1 266.316 2.817 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501751 351698954 /nfs/dbraw/zinc/69/89/54/351698954.db2.gz HYXXWOSYLOMQSJ-BXUZGUMPSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501751 351698957 /nfs/dbraw/zinc/69/89/57/351698957.db2.gz HYXXWOSYLOMQSJ-BXUZGUMPSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501753 351699248 /nfs/dbraw/zinc/69/92/48/351699248.db2.gz HYXXWOSYLOMQSJ-RISCZKNCSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501753 351699251 /nfs/dbraw/zinc/69/92/51/351699251.db2.gz HYXXWOSYLOMQSJ-RISCZKNCSA-N 1 1 282.315 2.654 20 5 CFBDMO Cc1[nH]ncc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000611519598 351703451 /nfs/dbraw/zinc/70/34/51/351703451.db2.gz UFXXXTTXCONGFM-JTQLQIEISA-N 1 1 274.324 2.520 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ncn1 ZINC000611337277 351670086 /nfs/dbraw/zinc/67/00/86/351670086.db2.gz RBWZDSWUJRFPPL-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000271445305 191140993 /nfs/dbraw/zinc/14/09/93/191140993.db2.gz YBPHWFIIWISYEU-OCCSQVGLSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)CC(C)(C)C ZINC000612577470 351838155 /nfs/dbraw/zinc/83/81/55/351838155.db2.gz UEMKHLPUCZFFHD-UHFFFAOYSA-N 1 1 280.368 2.744 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cocn1 ZINC000615723997 352236338 /nfs/dbraw/zinc/23/63/38/352236338.db2.gz FTTGRLBAZOCSEZ-VZUCSPMQSA-N 1 1 273.292 2.776 20 5 CFBDMO CC[N@@H+](CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615833538 352247124 /nfs/dbraw/zinc/24/71/24/352247124.db2.gz YQHSZCTYPSAVDL-RAXLEYEMSA-N 1 1 278.352 2.966 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCCO)C1CC1 ZINC000615835219 352247266 /nfs/dbraw/zinc/24/72/66/352247266.db2.gz BQLCACJDNGTJCU-RAXLEYEMSA-N 1 1 290.363 2.845 20 5 CFBDMO COCCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153325074 188075887 /nfs/dbraw/zinc/07/58/87/188075887.db2.gz WZGQQHOAYXZIKT-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358246 198257886 /nfs/dbraw/zinc/25/78/86/198257886.db2.gz FQDLOXVZKKOANF-GJZGRUSLSA-N 1 1 292.379 2.995 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000154431221 188142464 /nfs/dbraw/zinc/14/24/64/188142464.db2.gz FPBKVCQVZQQKGB-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(CCC3)C2)c1 ZINC000154446804 188143276 /nfs/dbraw/zinc/14/32/76/188143276.db2.gz JZORIESKYFOKEV-CQSZACIVSA-N 1 1 276.336 2.504 20 5 CFBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155820066 188229950 /nfs/dbraw/zinc/22/99/50/188229950.db2.gz ARXMLUBFGDQHPT-WWGRRREGSA-N 1 1 291.395 2.974 20 5 CFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155820066 188229951 /nfs/dbraw/zinc/22/99/51/188229951.db2.gz ARXMLUBFGDQHPT-WWGRRREGSA-N 1 1 291.395 2.974 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158715865 188390884 /nfs/dbraw/zinc/39/08/84/188390884.db2.gz FGGCSQXOBILHOT-SWLSCSKDSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728636 191294408 /nfs/dbraw/zinc/29/44/08/191294408.db2.gz MPMVNMHVBNOOTL-CHWSQXEVSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000222967126 540152036 /nfs/dbraw/zinc/15/20/36/540152036.db2.gz HWODEEVOLQUFFW-CYZMBNFOSA-N 1 1 263.341 2.515 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272215436 283152412 /nfs/dbraw/zinc/15/24/12/283152412.db2.gz QZQYNXRBEOSOIH-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119505033 540467667 /nfs/dbraw/zinc/46/76/67/540467667.db2.gz IOKIJGMNMUEJKE-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1C[N@H+](CCSCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298169055 200350939 /nfs/dbraw/zinc/35/09/39/200350939.db2.gz CRTJJPAPQSVFOB-LBPRGKRZSA-N 1 1 296.392 2.549 20 5 CFBDMO C[C@H]1C[N@@H+](CCSCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298169055 200350940 /nfs/dbraw/zinc/35/09/40/200350940.db2.gz CRTJJPAPQSVFOB-LBPRGKRZSA-N 1 1 296.392 2.549 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000178703971 189138751 /nfs/dbraw/zinc/13/87/51/189138751.db2.gz HGDIEGIAPLRLQY-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000178703971 189138752 /nfs/dbraw/zinc/13/87/52/189138752.db2.gz HGDIEGIAPLRLQY-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO Cc1cnc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301425069 201004219 /nfs/dbraw/zinc/00/42/19/201004219.db2.gz GJRPAACPZZBCIX-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO COC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182068362 189313553 /nfs/dbraw/zinc/31/35/53/189313553.db2.gz CQFBKBKZKPTITD-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182068362 189313554 /nfs/dbraw/zinc/31/35/54/189313554.db2.gz CQFBKBKZKPTITD-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355745 189321099 /nfs/dbraw/zinc/32/10/99/189321099.db2.gz RSPASZIZRDOPHY-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1nc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653866 201118967 /nfs/dbraw/zinc/11/89/67/201118967.db2.gz RIZWVSLFJZDNPQ-NEPJUHHUSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000183327233 189355087 /nfs/dbraw/zinc/35/50/87/189355087.db2.gz VXUMPXWCOYECGY-LBPRGKRZSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccnc1 ZINC000183656205 189364945 /nfs/dbraw/zinc/36/49/45/189364945.db2.gz UOMJYDXYQXHOBI-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccnc1 ZINC000183656205 189364946 /nfs/dbraw/zinc/36/49/46/189364946.db2.gz UOMJYDXYQXHOBI-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000184501677 189387657 /nfs/dbraw/zinc/38/76/57/189387657.db2.gz HCXNXNIMBAYNNM-AWEZNQCLSA-N 1 1 290.319 2.710 20 5 CFBDMO C[C@@H]1C[N@@H+](CCCNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301922995 201265005 /nfs/dbraw/zinc/26/50/05/201265005.db2.gz FHEIVJPYFRGAKX-PHIMTYICSA-N 1 1 299.396 2.568 20 5 CFBDMO C[C@@H]1C[N@H+](CCCNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301922995 201265009 /nfs/dbraw/zinc/26/50/09/201265009.db2.gz FHEIVJPYFRGAKX-PHIMTYICSA-N 1 1 299.396 2.568 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301980947 201287545 /nfs/dbraw/zinc/28/75/45/201287545.db2.gz GXVLIPPFBMNFJV-VIFPVBQESA-N 1 1 257.359 2.799 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426473862 239229880 /nfs/dbraw/zinc/22/98/80/239229880.db2.gz RQBUKQJZVVIFKO-IUODEOHRSA-N 1 1 276.336 2.848 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275435289 193036113 /nfs/dbraw/zinc/03/61/13/193036113.db2.gz GOVTXMBNRVAWQO-GRYCIOLGSA-N 1 1 291.351 2.795 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000441436956 240936292 /nfs/dbraw/zinc/93/62/92/240936292.db2.gz IRQZZYYQIOUJEX-UHFFFAOYSA-N 1 1 296.367 2.960 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000449575749 242041517 /nfs/dbraw/zinc/04/15/17/242041517.db2.gz YRXWYSPMNADQNY-DGCLKSJQSA-N 1 1 286.335 2.895 20 5 CFBDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449563607 242034236 /nfs/dbraw/zinc/03/42/36/242034236.db2.gz WVPFVGUIMTUTGR-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449683552 242107079 /nfs/dbraw/zinc/10/70/79/242107079.db2.gz JGNHRTSRLXCUAG-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449699139 242113069 /nfs/dbraw/zinc/11/30/69/242113069.db2.gz PYGWQCYXMDHNBC-UHFFFAOYSA-N 1 1 273.292 2.750 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449758378 242142601 /nfs/dbraw/zinc/14/26/01/242142601.db2.gz GKQMERQFDCMNTE-LLVKDONJSA-N 1 1 270.354 2.657 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449758378 242142604 /nfs/dbraw/zinc/14/26/04/242142604.db2.gz GKQMERQFDCMNTE-LLVKDONJSA-N 1 1 270.354 2.657 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)cc1 ZINC000451550491 242880361 /nfs/dbraw/zinc/88/03/61/242880361.db2.gz RYBWBTXELCTDBX-UKRRQHHQSA-N 1 1 290.363 2.811 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330691291 203121981 /nfs/dbraw/zinc/12/19/81/203121981.db2.gz BCJICWUEUQNCJX-LSDHHAIUSA-N 1 1 292.379 2.824 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330709233 203139706 /nfs/dbraw/zinc/13/97/06/203139706.db2.gz OEJBJNHXYIHXGO-LSDHHAIUSA-N 1 1 292.379 2.824 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCCO ZINC000276377698 193305833 /nfs/dbraw/zinc/30/58/33/193305833.db2.gz LBCRUQURPLBXIR-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO C[N@H+](CCn1cc(Cl)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000459289652 245121844 /nfs/dbraw/zinc/12/18/44/245121844.db2.gz KKAMDBGPRIQZPY-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCn1cc(Cl)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000459289652 245121849 /nfs/dbraw/zinc/12/18/49/245121849.db2.gz KKAMDBGPRIQZPY-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000459676292 245267670 /nfs/dbraw/zinc/26/76/70/245267670.db2.gz NNNVBVYUFIZOQW-HNNXBMFYSA-N 1 1 278.352 2.986 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955197 245374879 /nfs/dbraw/zinc/37/48/79/245374879.db2.gz FCTKBMRVYYQCIB-JQWIXIFHSA-N 1 1 281.331 2.937 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](C)C1 ZINC000332315732 204593230 /nfs/dbraw/zinc/59/32/30/204593230.db2.gz YLCFYGQSVKPGIC-NEPJUHHUSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000023042834 372250788 /nfs/dbraw/zinc/25/07/88/372250788.db2.gz RXAPIGZMIFETTE-AWEZNQCLSA-N 1 1 298.346 2.676 20 5 CFBDMO CCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991597 372269366 /nfs/dbraw/zinc/26/93/66/372269366.db2.gz CGZRQICHVRMVJY-UHFFFAOYSA-N 1 1 299.758 2.919 20 5 CFBDMO CCCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000026161824 372313893 /nfs/dbraw/zinc/31/38/93/372313893.db2.gz RLZHYXKVDQUVNZ-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO CCCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026161818 372314484 /nfs/dbraw/zinc/31/44/84/372314484.db2.gz KVGRDXMMXLTPTQ-UHFFFAOYSA-N 1 1 279.340 2.655 20 5 CFBDMO CC[C@H]([NH2+]CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010473 372627408 /nfs/dbraw/zinc/62/74/08/372627408.db2.gz OBFSDLJOPVXFHT-AWEZNQCLSA-N 1 1 265.357 2.587 20 5 CFBDMO Cc1csc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000037988478 372749232 /nfs/dbraw/zinc/74/92/32/372749232.db2.gz SVSMYKNLVRDDHZ-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO CN(C)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963748 373338586 /nfs/dbraw/zinc/33/85/86/373338586.db2.gz LIMFCGJHXVGPOV-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO Cc1c(C[N@H+]2CCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000050105122 373353478 /nfs/dbraw/zinc/35/34/78/373353478.db2.gz OHILYWUOQTYIJN-AWEZNQCLSA-N 1 1 278.352 2.640 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051149555 373388287 /nfs/dbraw/zinc/38/82/87/373388287.db2.gz CWQPDUILJMBOMS-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053363824 373477202 /nfs/dbraw/zinc/47/72/02/373477202.db2.gz YHQDMKOCRVPOCT-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1F ZINC000184222754 220222561 /nfs/dbraw/zinc/22/25/61/220222561.db2.gz VFVXROQHNACUHT-PHIMTYICSA-N 1 1 294.326 2.830 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068449992 374030101 /nfs/dbraw/zinc/03/01/01/374030101.db2.gz ZQQIYLIHRRJTGO-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC1(C)C ZINC000072605110 374268995 /nfs/dbraw/zinc/26/89/95/374268995.db2.gz ZJIROJNFXZCNAM-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000072950242 374307515 /nfs/dbraw/zinc/30/75/15/374307515.db2.gz VEILSXDMMRIBEQ-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC(C)C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000072978671 374310839 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C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000089936868 374973081 /nfs/dbraw/zinc/97/30/81/374973081.db2.gz ZHBPUVRAIRGLRC-VIFPVBQESA-N 1 1 258.368 2.594 20 5 CFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000089936868 374973084 /nfs/dbraw/zinc/97/30/84/374973084.db2.gz ZHBPUVRAIRGLRC-VIFPVBQESA-N 1 1 258.368 2.594 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000451787003 383706613 /nfs/dbraw/zinc/70/66/13/383706613.db2.gz XQNPSJMILAFLFV-OAHLLOKOSA-N 1 1 294.395 2.866 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000093818532 375315711 /nfs/dbraw/zinc/31/57/11/375315711.db2.gz YISPIXOYKVFJED-UHFFFAOYSA-N 1 1 278.352 2.762 20 5 CFBDMO Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000115294875 376120605 /nfs/dbraw/zinc/12/06/05/376120605.db2.gz AQONEOMVUJLSNT-UHFFFAOYSA-N 1 1 298.346 2.625 20 5 CFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000118415035 376296031 /nfs/dbraw/zinc/29/60/31/376296031.db2.gz ZFJYEYQUCAIFGO-NEPJUHHUSA-N 1 1 296.392 2.799 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000119852997 376488044 /nfs/dbraw/zinc/48/80/44/376488044.db2.gz HFTZVRKNKQBRGQ-CYBMUJFWSA-N 1 1 266.366 2.575 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000120256406 376580963 /nfs/dbraw/zinc/58/09/63/376580963.db2.gz DWAPCAWXWQWVME-GFCCVEGCSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000120256406 376580968 /nfs/dbraw/zinc/58/09/68/376580968.db2.gz DWAPCAWXWQWVME-GFCCVEGCSA-N 1 1 296.342 2.981 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000125580325 377173474 /nfs/dbraw/zinc/17/34/74/377173474.db2.gz AXYPPLPHMFKANL-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059008 190154892 /nfs/dbraw/zinc/15/48/92/190154892.db2.gz RZOGMXVYODOCRG-CABCVRRESA-N 1 1 278.352 2.720 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 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CCN(CC)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152808482 378450047 /nfs/dbraw/zinc/45/00/47/378450047.db2.gz OMHDPEUYXQIILH-CYBMUJFWSA-N 1 1 279.384 2.896 20 5 CFBDMO CC(C)(C)OCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153332999 378485988 /nfs/dbraw/zinc/48/59/88/378485988.db2.gz KPLHSIYFNVHIHW-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO CC(C)(C)OCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153332999 378485991 /nfs/dbraw/zinc/48/59/91/378485991.db2.gz KPLHSIYFNVHIHW-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1Cl ZINC000154210771 378549415 /nfs/dbraw/zinc/54/94/15/378549415.db2.gz XSBJGHVABVHMRL-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000330435984 378554575 /nfs/dbraw/zinc/55/45/75/378554575.db2.gz BADMTVSECOHIHQ-JTQLQIEISA-N 1 1 283.353 2.936 20 5 CFBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000330435984 378554581 /nfs/dbraw/zinc/55/45/81/378554581.db2.gz BADMTVSECOHIHQ-JTQLQIEISA-N 1 1 283.353 2.936 20 5 CFBDMO C[C@@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331072306 378626826 /nfs/dbraw/zinc/62/68/26/378626826.db2.gz SSICZMGOFJSZAO-LBPRGKRZSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331003871 378612998 /nfs/dbraw/zinc/61/29/98/378612998.db2.gz RTJMAOUJLPKSRR-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285160 378663211 /nfs/dbraw/zinc/66/32/11/378663211.db2.gz GEYJEYKXTFPWLJ-VXGBXAGGSA-N 1 1 280.372 2.729 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281855 378663806 /nfs/dbraw/zinc/66/38/06/378663806.db2.gz ITLKHUCSXZOSKX-HFAKWTLXSA-N 1 1 296.342 2.715 20 5 CFBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332647542 378782931 /nfs/dbraw/zinc/78/29/31/378782931.db2.gz CAXCBJOOXNRMCT-LBPRGKRZSA-N 1 1 280.372 2.729 20 5 CFBDMO CC(C)COCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 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CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000267279359 190317553 /nfs/dbraw/zinc/31/75/53/190317553.db2.gz UWFLSNLBCFGSDE-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000173662470 379761870 /nfs/dbraw/zinc/76/18/70/379761870.db2.gz WFXMYQFTPNUHNR-UHFFFAOYSA-N 1 1 294.351 2.857 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000174841761 379950109 /nfs/dbraw/zinc/95/01/09/379950109.db2.gz FWSAOSKIRQUVLE-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000174841761 379950116 /nfs/dbraw/zinc/95/01/16/379950116.db2.gz FWSAOSKIRQUVLE-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000174863100 379953443 /nfs/dbraw/zinc/95/34/43/379953443.db2.gz DAHXYUUOUXAMPG-HNNXBMFYSA-N 1 1 290.367 2.614 20 5 CFBDMO C[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000177008134 380292675 /nfs/dbraw/zinc/29/26/75/380292675.db2.gz IXQGAVYCBHZBCI-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000177008134 380292680 /nfs/dbraw/zinc/29/26/80/380292680.db2.gz IXQGAVYCBHZBCI-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353769928 380839081 /nfs/dbraw/zinc/83/90/81/380839081.db2.gz SRQRTQXOCBYQNK-DZGCQCFKSA-N 1 1 291.395 2.899 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000287546494 380861187 /nfs/dbraw/zinc/86/11/87/380861187.db2.gz WDPYVBHDBDGCME-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000353881706 380925100 /nfs/dbraw/zinc/92/51/00/380925100.db2.gz MJGXMRQFBOSNOO-VURMDHGXSA-N 1 1 290.363 2.845 20 5 CFBDMO COCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347347320 381087631 /nfs/dbraw/zinc/08/76/31/381087631.db2.gz WUYVIOZCUCFALK-XFXZXTDPSA-N 1 1 264.325 2.576 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347357189 381094349 /nfs/dbraw/zinc/09/43/49/381094349.db2.gz RZLREYSCSAWYMG-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347357189 381094355 /nfs/dbraw/zinc/09/43/55/381094355.db2.gz RZLREYSCSAWYMG-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCOC1 ZINC000347376092 381108695 /nfs/dbraw/zinc/10/86/95/381108695.db2.gz ZHBLPPRFIGECBV-LDCOFTPGSA-N 1 1 276.336 2.719 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000347448043 381156588 /nfs/dbraw/zinc/15/65/88/381156588.db2.gz JLZLVHKCVHWTMQ-UHFFFAOYSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000358926971 381160038 /nfs/dbraw/zinc/16/00/38/381160038.db2.gz UEVQOEKVOBTOEF-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368791184 381134508 /nfs/dbraw/zinc/13/45/08/381134508.db2.gz KHOMFSANUJDGFY-OAHLLOKOSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000182995270 381195583 /nfs/dbraw/zinc/19/55/83/381195583.db2.gz XHUINEDNBNMNQR-IUODEOHRSA-N 1 1 278.352 2.811 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000359085852 381257199 /nfs/dbraw/zinc/25/71/99/381257199.db2.gz UGKNXQVSNBULQF-QWHCGFSZSA-N 1 1 290.367 2.645 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359088412 381258462 /nfs/dbraw/zinc/25/84/62/381258462.db2.gz ZANAIFDLBRPADI-ZDUSSCGKSA-N 1 1 292.383 2.893 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000183385791 381264285 /nfs/dbraw/zinc/26/42/85/381264285.db2.gz MLPZUFNDYPQUMC-OAHLLOKOSA-N 1 1 276.336 2.516 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cs1 ZINC000369467008 381266661 /nfs/dbraw/zinc/26/66/61/381266661.db2.gz KXPXAAMQAGASJI-NEPJUHHUSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cs1 ZINC000369467008 381266670 /nfs/dbraw/zinc/26/66/70/381266670.db2.gz KXPXAAMQAGASJI-NEPJUHHUSA-N 1 1 282.365 2.800 20 5 CFBDMO Cc1nocc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296129818 381268579 /nfs/dbraw/zinc/26/85/79/381268579.db2.gz UKVPDXFUHQIJJV-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO CC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183288369 381250232 /nfs/dbraw/zinc/25/02/32/381250232.db2.gz DBJCUBJXESVBBB-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183288369 381250238 /nfs/dbraw/zinc/25/02/38/381250238.db2.gz DBJCUBJXESVBBB-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)OC)C(C)C ZINC000354458624 381285035 /nfs/dbraw/zinc/28/50/35/381285035.db2.gz QIFUSAPFDIUPED-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342405818 381314139 /nfs/dbraw/zinc/31/41/39/381314139.db2.gz JLGQIRORUFOXGD-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000369901534 381349990 /nfs/dbraw/zinc/34/99/90/381349990.db2.gz GWCFMVIMIXRTGM-GJZGRUSLSA-N 1 1 290.363 2.762 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C2CCCC2)CC1 ZINC000370045177 381372208 /nfs/dbraw/zinc/37/22/08/381372208.db2.gz KFQRNBPDEUOVQJ-UHFFFAOYSA-N 1 1 292.383 2.731 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464464 /nfs/dbraw/zinc/46/44/64/381464464.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464468 /nfs/dbraw/zinc/46/44/68/381464468.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370674377 381488122 /nfs/dbraw/zinc/48/81/22/381488122.db2.gz UYIRWRFXLQQLTJ-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370674377 381488129 /nfs/dbraw/zinc/48/81/29/381488129.db2.gz UYIRWRFXLQQLTJ-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])c(C)n3)ccc2[nH+]1 ZINC000348349155 381523362 /nfs/dbraw/zinc/52/33/62/381523362.db2.gz LLZAEGABNBLQEW-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000371282652 381582426 /nfs/dbraw/zinc/58/24/26/381582426.db2.gz ZOWIZYLAZQOJLU-QMMMGPOBSA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000371282652 381582432 /nfs/dbraw/zinc/58/24/32/381582432.db2.gz ZOWIZYLAZQOJLU-QMMMGPOBSA-N 1 1 292.726 2.941 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000342809302 381557274 /nfs/dbraw/zinc/55/72/74/381557274.db2.gz SYRUBPUCHIMPQN-LLVKDONJSA-N 1 1 286.335 2.852 20 5 CFBDMO NC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856722 381610389 /nfs/dbraw/zinc/61/03/89/381610389.db2.gz ZJQCFBSHYRRHCL-OAHLLOKOSA-N 1 1 277.368 2.592 20 5 CFBDMO C[C@@H](CN)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414938396 381629085 /nfs/dbraw/zinc/62/90/85/381629085.db2.gz FKCAYXVTNLAMDT-JTQLQIEISA-N 1 1 291.376 2.760 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355120294 381625230 /nfs/dbraw/zinc/62/52/30/381625230.db2.gz YFTZUSBREIKNPS-LSDHHAIUSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298464026 381638072 /nfs/dbraw/zinc/63/80/72/381638072.db2.gz YXHSKXNJEFSJDI-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298464029 381638665 /nfs/dbraw/zinc/63/86/65/381638665.db2.gz YXHSKXNJEFSJDI-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355141435 381638822 /nfs/dbraw/zinc/63/88/22/381638822.db2.gz YERAVSNYURFXRL-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H](C)OC ZINC000291224085 381714237 /nfs/dbraw/zinc/71/42/37/381714237.db2.gz LUAUWZYGMOLRTI-LLVKDONJSA-N 1 1 266.341 2.760 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(F)cc1[N+](=O)[O-] ZINC000359970273 381704750 /nfs/dbraw/zinc/70/47/50/381704750.db2.gz YNAKDKFRUSXABL-SECBINFHSA-N 1 1 290.298 2.735 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000359970273 381704759 /nfs/dbraw/zinc/70/47/59/381704759.db2.gz YNAKDKFRUSXABL-SECBINFHSA-N 1 1 290.298 2.735 20 5 CFBDMO COc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488936 381746527 /nfs/dbraw/zinc/74/65/27/381746527.db2.gz ZIMOUTHSKUKERV-MWLCHTKSSA-N 1 1 297.330 2.637 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000372155482 381765465 /nfs/dbraw/zinc/76/54/65/381765465.db2.gz KQVSQNNYOQUTKW-HUUCEWRRSA-N 1 1 276.336 2.503 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000360198251 381770203 /nfs/dbraw/zinc/77/02/03/381770203.db2.gz FZWRNEIAKLVGIO-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000299019104 381799914 /nfs/dbraw/zinc/79/99/14/381799914.db2.gz FNSNIKDCKQDNRU-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000299019104 381799924 /nfs/dbraw/zinc/79/99/24/381799924.db2.gz FNSNIKDCKQDNRU-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000299077423 381816012 /nfs/dbraw/zinc/81/60/12/381816012.db2.gz QXBRMOQDDVNOED-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@H+]1CCCC12CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000343762145 381929304 /nfs/dbraw/zinc/92/93/04/381929304.db2.gz KJQFTICFSMDJGM-UHFFFAOYSA-N 1 1 295.408 2.717 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000293094880 381986223 /nfs/dbraw/zinc/98/62/23/381986223.db2.gz KQKSEPUDJIWWJU-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[N@@H+](C)C1CC1 ZINC000186788538 382015315 /nfs/dbraw/zinc/01/53/15/382015315.db2.gz XGYOAVDMBDXUEA-LBPRGKRZSA-N 1 1 277.368 2.682 20 5 CFBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000351985009 382104870 /nfs/dbraw/zinc/10/48/70/382104870.db2.gz PUHCCROJYPLRQE-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000293404620 382110893 /nfs/dbraw/zinc/11/08/93/382110893.db2.gz RMJDXYQJTHDEAO-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1ccnc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301265828 382128747 /nfs/dbraw/zinc/12/87/47/382128747.db2.gz GMCWOJKMBBMVTD-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362446839 382072627 /nfs/dbraw/zinc/07/26/27/382072627.db2.gz AWSUTUWOQHSUGV-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H]1C ZINC000293328568 382080548 /nfs/dbraw/zinc/08/05/48/382080548.db2.gz GHRJNXUYZIQKFD-NWDGAFQWSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172768 382178111 /nfs/dbraw/zinc/17/81/11/382178111.db2.gz PNZCSBNCCCVCIU-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172768 382178113 /nfs/dbraw/zinc/17/81/13/382178113.db2.gz PNZCSBNCCCVCIU-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301295444 382140246 /nfs/dbraw/zinc/14/02/46/382140246.db2.gz XDGLZSOARAIURH-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139118 382152478 /nfs/dbraw/zinc/15/24/78/382152478.db2.gz YASWFVQGXONHPX-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139118 382152485 /nfs/dbraw/zinc/15/24/85/382152485.db2.gz YASWFVQGXONHPX-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1cc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301351570 382156654 /nfs/dbraw/zinc/15/66/54/382156654.db2.gz JBZCQYAJZWCPSJ-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000301384683 382164548 /nfs/dbraw/zinc/16/45/48/382164548.db2.gz VAVNENPIHHMZRD-CQSZACIVSA-N 1 1 281.331 2.510 20 5 CFBDMO CCc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(C)[nH+]1 ZINC000302098110 382206725 /nfs/dbraw/zinc/20/67/25/382206725.db2.gz OVEHCEIKXRSNJX-UHFFFAOYSA-N 1 1 298.346 2.818 20 5 CFBDMO CC(=O)c1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357556101 382224063 /nfs/dbraw/zinc/22/40/63/382224063.db2.gz DTGLSCORQWYTKC-NSHDSACASA-N 1 1 293.367 2.938 20 5 CFBDMO COC1CC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000352223081 382232016 /nfs/dbraw/zinc/23/20/16/382232016.db2.gz TZRJSLBDGRGQNL-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCCC[C@H]1C ZINC000357699707 382285016 /nfs/dbraw/zinc/28/50/16/382285016.db2.gz VCVMYVBXAYTRJQ-VXGBXAGGSA-N 1 1 278.356 2.665 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377540660 382287722 /nfs/dbraw/zinc/28/77/22/382287722.db2.gz ARVUHXZYKJBRKS-CYBMUJFWSA-N 1 1 276.336 2.978 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419334518 382289548 /nfs/dbraw/zinc/28/95/48/382289548.db2.gz VOOAEPGGDPRXPU-QWHCGFSZSA-N 1 1 294.399 2.938 20 5 CFBDMO CC[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000419230463 382253185 /nfs/dbraw/zinc/25/31/85/382253185.db2.gz IPWSTGLCEATHOJ-HNNXBMFYSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1cccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000302521511 382262852 /nfs/dbraw/zinc/26/28/52/382262852.db2.gz XXABGNYNTWKTAA-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352400282 382309035 /nfs/dbraw/zinc/30/90/35/382309035.db2.gz QZDAYCBIAQHBDI-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO Cc1cc[nH+]c(N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000357776762 382316316 /nfs/dbraw/zinc/31/63/16/382316316.db2.gz WXBSPVIVYDTYOK-UHFFFAOYSA-N 1 1 285.303 2.697 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352424724 382325752 /nfs/dbraw/zinc/32/57/52/382325752.db2.gz HHBNLCFGNHVTPC-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925723 382300331 /nfs/dbraw/zinc/30/03/31/382300331.db2.gz PFXLTWWJRRRVBL-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C[NH3+])C[C@H]1C ZINC000420319802 382366972 /nfs/dbraw/zinc/36/69/72/382366972.db2.gz POASBYLIXRTGCZ-AGIUHOORSA-N 1 1 277.368 2.633 20 5 CFBDMO Cc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549727 382393031 /nfs/dbraw/zinc/39/30/31/382393031.db2.gz GIHCKBRIAMJBSQ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420418631 382403077 /nfs/dbraw/zinc/40/30/77/382403077.db2.gz XBWQOSKNUFIEHT-OLZOCXBDSA-N 1 1 277.368 2.553 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352671014 382446548 /nfs/dbraw/zinc/44/65/48/382446548.db2.gz HOUJBGJVGPAXBJ-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000420995390 382503455 /nfs/dbraw/zinc/50/34/55/382503455.db2.gz HXXDMXFVFKOSEQ-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353201902 382528805 /nfs/dbraw/zinc/52/88/05/382528805.db2.gz OFGQDNOLRUGZRE-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353201902 382528813 /nfs/dbraw/zinc/52/88/13/382528813.db2.gz OFGQDNOLRUGZRE-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649738 382538218 /nfs/dbraw/zinc/53/82/18/382538218.db2.gz DAIWJSRCJYKJBB-HUUCEWRRSA-N 1 1 290.363 2.762 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000295006708 382561082 /nfs/dbraw/zinc/56/10/82/382561082.db2.gz IZEMNUGGXMZPPI-NSHDSACASA-N 1 1 282.365 2.541 20 5 CFBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000358264932 382534804 /nfs/dbraw/zinc/53/48/04/382534804.db2.gz JGTZJKQZQFIDJJ-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190467595 382669790 /nfs/dbraw/zinc/66/97/90/382669790.db2.gz WJTVQJVBVHSHBA-LLVKDONJSA-N 1 1 266.366 2.780 20 5 CFBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193594019 382721304 /nfs/dbraw/zinc/72/13/04/382721304.db2.gz ZOHYQVRQMPYQIY-UHFFFAOYSA-N 1 1 267.285 2.735 20 5 CFBDMO Cc1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000218835129 382791090 /nfs/dbraw/zinc/79/10/90/382791090.db2.gz DENPQIKDUAMOII-GFCCVEGCSA-N 1 1 275.352 2.799 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227504988 382837202 /nfs/dbraw/zinc/83/72/02/382837202.db2.gz FYKBLZCXLDYSTE-OCCSQVGLSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000533921408 382912773 /nfs/dbraw/zinc/91/27/73/382912773.db2.gz OZGJKFOHHMDQNW-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO CCn1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000577362164 382856543 /nfs/dbraw/zinc/85/65/43/382856543.db2.gz IPLRTMJBIIBPDA-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000578787459 382955726 /nfs/dbraw/zinc/95/57/26/382955726.db2.gz PMFNDAQUCZSXCX-YOGCLGLASA-N 1 1 291.351 2.641 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000447801922 383008231 /nfs/dbraw/zinc/00/82/31/383008231.db2.gz FSSITGFYTFTBKJ-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000447815099 383011057 /nfs/dbraw/zinc/01/10/57/383011057.db2.gz BWMKLNNSFRGMNH-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000447903692 383028064 /nfs/dbraw/zinc/02/80/64/383028064.db2.gz NZRNGCBWXGFMIF-LBPRGKRZSA-N 1 1 297.424 2.866 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000447903692 383028066 /nfs/dbraw/zinc/02/80/66/383028066.db2.gz NZRNGCBWXGFMIF-LBPRGKRZSA-N 1 1 297.424 2.866 20 5 CFBDMO Cc1cccc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000338712018 383029955 /nfs/dbraw/zinc/02/99/55/383029955.db2.gz KRHRRBNDWKCYTP-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245788185 383036118 /nfs/dbraw/zinc/03/61/18/383036118.db2.gz VPMYKXXDIAKXQZ-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717147 383027910 /nfs/dbraw/zinc/02/79/10/383027910.db2.gz HDPXGXJRXNUJBQ-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717147 383027916 /nfs/dbraw/zinc/02/79/16/383027916.db2.gz HDPXGXJRXNUJBQ-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717147 383027923 /nfs/dbraw/zinc/02/79/23/383027923.db2.gz HDPXGXJRXNUJBQ-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449422390 383281355 /nfs/dbraw/zinc/28/13/55/383281355.db2.gz DBVGKHZZILLKMS-AWEZNQCLSA-N 1 1 276.336 2.978 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000449422390 383281364 /nfs/dbraw/zinc/28/13/64/383281364.db2.gz DBVGKHZZILLKMS-AWEZNQCLSA-N 1 1 276.336 2.978 20 5 CFBDMO COC[C@@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449389923 383258740 /nfs/dbraw/zinc/25/87/40/383258740.db2.gz FBAGHPBUGJPRCY-LBPRGKRZSA-N 1 1 270.354 2.515 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449389923 383258742 /nfs/dbraw/zinc/25/87/42/383258742.db2.gz FBAGHPBUGJPRCY-LBPRGKRZSA-N 1 1 270.354 2.515 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@H]1O ZINC000249296397 383338407 /nfs/dbraw/zinc/33/84/07/383338407.db2.gz BRTCBZVQDQSGOC-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449502552 383339198 /nfs/dbraw/zinc/33/91/98/383339198.db2.gz OSGQDAVYNGLFNG-DOMZBBRYSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1 ZINC000449467427 383310493 /nfs/dbraw/zinc/31/04/93/383310493.db2.gz JBBFWKPOJJWCMU-UPJWGTAASA-N 1 1 296.392 2.782 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000524619876 383376574 /nfs/dbraw/zinc/37/65/74/383376574.db2.gz MIKORHVDUVQGMA-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@H]1CCCO1)C2 ZINC000526056972 383425660 /nfs/dbraw/zinc/42/56/60/383425660.db2.gz HDNUZCFGMUAXTJ-CYBMUJFWSA-N 1 1 276.336 2.522 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252895496 383439674 /nfs/dbraw/zinc/43/96/74/383439674.db2.gz ZCXKVYGJPNEMIY-STQMWFEESA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253086880 383441403 /nfs/dbraw/zinc/44/14/03/383441403.db2.gz CNMHQLKRCVFVQS-BMFZPTHFSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCCCO)C1CC1 ZINC000255680930 383485217 /nfs/dbraw/zinc/48/52/17/383485217.db2.gz KIVZWZWYHHCAQD-ALCCZGGFSA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C(C)(C)C ZINC000569807684 383539252 /nfs/dbraw/zinc/53/92/52/383539252.db2.gz MRYGLCJHJCRRKY-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO Cc1ccc2nc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000341045399 383542881 /nfs/dbraw/zinc/54/28/81/383542881.db2.gz LIVYUUYVOCZSOH-UHFFFAOYSA-N 1 1 296.330 2.841 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451321561 383589472 /nfs/dbraw/zinc/58/94/72/383589472.db2.gz CSBAFPSSQFTONJ-LLVKDONJSA-N 1 1 282.365 2.541 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CF)CC3)nc2c1 ZINC000451399642 383606729 /nfs/dbraw/zinc/60/67/29/383606729.db2.gz ZRXMHJSCYWQQKA-UHFFFAOYSA-N 1 1 292.314 2.653 20 5 CFBDMO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280886628 195015659 /nfs/dbraw/zinc/01/56/59/195015659.db2.gz PTUDDLSXSKMBAM-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280886628 195015661 /nfs/dbraw/zinc/01/56/61/195015661.db2.gz PTUDDLSXSKMBAM-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO COC[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544900 383641007 /nfs/dbraw/zinc/64/10/07/383641007.db2.gz GDQAKYSVDWCZSD-TZMCWYRMSA-N 1 1 278.352 2.809 20 5 CFBDMO C[C@H](O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548469 383642280 /nfs/dbraw/zinc/64/22/80/383642280.db2.gz NMMRYFZUOBHWOP-GXTWGEPZSA-N 1 1 278.352 2.545 20 5 CFBDMO C[C@H](O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553137 383644989 /nfs/dbraw/zinc/64/49/89/383644989.db2.gz XLUNHERPWMSQPK-DZGCQCFKSA-N 1 1 292.379 2.935 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570988683 383653941 /nfs/dbraw/zinc/65/39/41/383653941.db2.gz ZWTUVZXVZWNQPZ-NSHDSACASA-N 1 1 283.759 2.779 20 5 CFBDMO CC1=C(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280860638 195005870 /nfs/dbraw/zinc/00/58/70/195005870.db2.gz YSNAPRVANIEOTC-OAHLLOKOSA-N 1 1 276.336 2.670 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243998 383814373 /nfs/dbraw/zinc/81/43/73/383814373.db2.gz CDTISTKFQFCKBN-TYNCELHUSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243998 383814377 /nfs/dbraw/zinc/81/43/77/383814377.db2.gz CDTISTKFQFCKBN-TYNCELHUSA-N 1 1 277.368 2.586 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]12 ZINC000531342500 383853682 /nfs/dbraw/zinc/85/36/82/383853682.db2.gz IAEIXYUACFETIQ-JHJVBQTASA-N 1 1 292.383 2.729 20 5 CFBDMO CC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983861 383954407 /nfs/dbraw/zinc/95/44/07/383954407.db2.gz CQLYRTRIRNTEKL-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983861 383954414 /nfs/dbraw/zinc/95/44/14/383954414.db2.gz CQLYRTRIRNTEKL-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000574234750 384065547 /nfs/dbraw/zinc/06/55/47/384065547.db2.gz XSJIQPNDZHUMEI-DUVNUKRYSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCCF)C2 ZINC000574350944 384083020 /nfs/dbraw/zinc/08/30/20/384083020.db2.gz XUWCLPZUMDFKFO-UHFFFAOYSA-N 1 1 252.289 2.703 20 5 CFBDMO Cc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000277384863 384286136 /nfs/dbraw/zinc/28/61/36/384286136.db2.gz ISENKPKXKJCPIG-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277695280 384378803 /nfs/dbraw/zinc/37/88/03/384378803.db2.gz RATSTRGUIMLCLB-ZDUSSCGKSA-N 1 1 293.367 2.508 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000347667931 285112180 /nfs/dbraw/zinc/11/21/80/285112180.db2.gz HLFJRSIMPXSRLH-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289380722 197320206 /nfs/dbraw/zinc/32/02/06/197320206.db2.gz MMMJPPXGYQLMOB-CCSSQEOUSA-N 1 1 276.336 2.717 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888154 384599823 /nfs/dbraw/zinc/59/98/23/384599823.db2.gz YKDGFCAOSWSNDR-WBMJQRKESA-N 1 1 291.395 2.902 20 5 CFBDMO Cc1c([C@H](C)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000268932976 384696080 /nfs/dbraw/zinc/69/60/80/384696080.db2.gz SXDYMHHHOFCNBL-JQWIXIFHSA-N 1 1 265.357 2.504 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362805 384751934 /nfs/dbraw/zinc/75/19/34/384751934.db2.gz JSVAGEBVIICFBA-LDYMZIIASA-N 1 1 296.758 2.538 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692323 384839230 /nfs/dbraw/zinc/83/92/30/384839230.db2.gz VMBJPYDLRAHVRZ-LSDHHAIUSA-N 1 1 278.352 2.749 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCSC1 ZINC000289083256 197230239 /nfs/dbraw/zinc/23/02/39/197230239.db2.gz BARBHXKBSAPTPE-GFCCVEGCSA-N 1 1 280.393 2.822 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282363751 385294340 /nfs/dbraw/zinc/29/43/40/385294340.db2.gz NMIWUJMQNUZKAI-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282363751 385294347 /nfs/dbraw/zinc/29/43/47/385294347.db2.gz NMIWUJMQNUZKAI-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO C[N@H+](C/C=C/Cl)CCc1cccc([N+](=O)[O-])c1 ZINC000282538613 385337618 /nfs/dbraw/zinc/33/76/18/385337618.db2.gz VTDPKYQZWAATMZ-XVNBXDOJSA-N 1 1 254.717 2.822 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301342891 285164669 /nfs/dbraw/zinc/16/46/69/285164669.db2.gz IPYQCHOKRZZBNW-IHRRRGAJSA-N 1 1 287.363 2.515 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(C)(C)O ZINC000272269085 385494610 /nfs/dbraw/zinc/49/46/10/385494610.db2.gz CVPVKGYANFMVDX-LLVKDONJSA-N 1 1 266.341 2.667 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272620763 385577567 /nfs/dbraw/zinc/57/75/67/385577567.db2.gz YHZYIELWWKYJAR-GDBMZVCRSA-N 1 1 292.379 2.886 20 5 CFBDMO CN(c1c(F)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286498065 385635421 /nfs/dbraw/zinc/63/54/21/385635421.db2.gz WFLQBVNPBJICHT-FOSCPWQOSA-N 1 1 293.342 2.795 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286724538 385695812 /nfs/dbraw/zinc/69/58/12/385695812.db2.gz XJSCNFQLEVVXKC-NILFDRSVSA-N 1 1 278.352 2.809 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286730796 385696450 /nfs/dbraw/zinc/69/64/50/385696450.db2.gz CXSCVQQAHCZOKY-IUODEOHRSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286730796 385696453 /nfs/dbraw/zinc/69/64/53/385696453.db2.gz CXSCVQQAHCZOKY-IUODEOHRSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1c(F)cccc1[N+](=O)[O-] ZINC000274268724 385751963 /nfs/dbraw/zinc/75/19/63/385751963.db2.gz DSWSMJUQDHUSIW-UHFFFAOYSA-N 1 1 279.271 2.708 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154612 385947753 /nfs/dbraw/zinc/94/77/53/385947753.db2.gz QCLPBJJVVCMCPP-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283584576 195882475 /nfs/dbraw/zinc/88/24/75/195882475.db2.gz RLVKPAVUVFCETC-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCCO ZINC000471820744 533381460 /nfs/dbraw/zinc/38/14/60/533381460.db2.gz IBHZVXZGSIAJSC-RAXLEYEMSA-N 1 1 278.352 2.702 20 5 CFBDMO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000422949628 533506469 /nfs/dbraw/zinc/50/64/69/533506469.db2.gz UPZRVUZDZAPPMU-SCRDCRAPSA-N 1 1 277.368 2.634 20 5 CFBDMO Cc1cc(C)cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341733215 130005032 /nfs/dbraw/zinc/00/50/32/130005032.db2.gz SAVBQEVHMHILIC-LBPRGKRZSA-N 1 1 288.351 2.796 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000180423910 393481709 /nfs/dbraw/zinc/48/17/09/393481709.db2.gz LIANAGVWTFSLFQ-ZDUSSCGKSA-N 1 1 293.367 2.637 20 5 CFBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000180449611 393482510 /nfs/dbraw/zinc/48/25/10/393482510.db2.gz QUWFRLOYLPXWCO-SNVBAGLBSA-N 1 1 274.324 2.520 20 5 CFBDMO CC[C@@]1(C)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330537345 393553081 /nfs/dbraw/zinc/55/30/81/393553081.db2.gz WGLHSZOSXMFCCU-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@@]1(C)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330537345 393553083 /nfs/dbraw/zinc/55/30/83/393553083.db2.gz WGLHSZOSXMFCCU-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000049568938 393612752 /nfs/dbraw/zinc/61/27/52/393612752.db2.gz KDFLBEGQSNNZFR-ZIAGYGMSSA-N 1 1 275.352 2.942 20 5 CFBDMO CCOCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470212196 393899236 /nfs/dbraw/zinc/89/92/36/393899236.db2.gz RKPNXIMDZDQVBN-JLHYYAGUSA-N 1 1 278.352 2.966 20 5 CFBDMO CC(C)(C)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000341900987 393859148 /nfs/dbraw/zinc/85/91/48/393859148.db2.gz JPGSDNNBTYKXOT-UHFFFAOYSA-N 1 1 263.341 2.784 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000119292626 393917518 /nfs/dbraw/zinc/91/75/18/393917518.db2.gz YDPBGJABDXYBJW-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000119292626 393917520 /nfs/dbraw/zinc/91/75/20/393917520.db2.gz YDPBGJABDXYBJW-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471805144 393917709 /nfs/dbraw/zinc/91/77/09/393917709.db2.gz PQSNGQQNHDWWFV-WCQYABFASA-N 1 1 278.352 2.673 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598062 393936934 /nfs/dbraw/zinc/93/69/34/393936934.db2.gz YCYBHGDDYQAFBT-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598062 393936938 /nfs/dbraw/zinc/93/69/38/393936938.db2.gz YCYBHGDDYQAFBT-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272296522 394027272 /nfs/dbraw/zinc/02/72/72/394027272.db2.gz HUANZGIUTHYBKQ-AAEUAGOBSA-N 1 1 264.325 2.685 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000430213250 393969180 /nfs/dbraw/zinc/96/91/80/393969180.db2.gz SMEQREBGEGKLPR-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000430225888 393970569 /nfs/dbraw/zinc/97/05/69/393970569.db2.gz ZIOUXRQAMKXUGG-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430226126 393970624 /nfs/dbraw/zinc/97/06/24/393970624.db2.gz MACFFQCGOCITTI-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000430227805 393971012 /nfs/dbraw/zinc/97/10/12/393971012.db2.gz SPIMPDRVCBFJDN-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000430227805 393971014 /nfs/dbraw/zinc/97/10/14/393971014.db2.gz SPIMPDRVCBFJDN-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128821 393976094 /nfs/dbraw/zinc/97/60/94/393976094.db2.gz WWMWOOSYSXACEW-JSGCOSHPSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438357405 394079625 /nfs/dbraw/zinc/07/96/25/394079625.db2.gz XDJRAYKRGRRQBQ-XQQFMLRXSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438357405 394079627 /nfs/dbraw/zinc/07/96/27/394079627.db2.gz XDJRAYKRGRRQBQ-XQQFMLRXSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133449283 394176691 /nfs/dbraw/zinc/17/66/91/394176691.db2.gz GMZRIGUYJJNEDJ-CZUORRHYSA-N 1 1 289.379 2.824 20 5 CFBDMO CC1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284304237 394136203 /nfs/dbraw/zinc/13/62/03/394136203.db2.gz ZIKILKAPJUFDCX-UHFFFAOYSA-N 1 1 279.296 2.877 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000131608777 394136530 /nfs/dbraw/zinc/13/65/30/394136530.db2.gz LAVNFBBQBUCONM-JTQLQIEISA-N 1 1 279.315 2.630 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049831 394144545 /nfs/dbraw/zinc/14/45/45/394144545.db2.gz HFNIZXFLBUITFT-QWRGUYRKSA-N 1 1 281.331 2.571 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360081331 394145681 /nfs/dbraw/zinc/14/56/81/394145681.db2.gz DYXBILBXHJKJRM-LLVKDONJSA-N 1 1 281.331 2.573 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3C[C@@H](O)C3)C2)cc1 ZINC000420982298 394146962 /nfs/dbraw/zinc/14/69/62/394146962.db2.gz ZMRRQPKCKRYTHE-DUVNUKRYSA-N 1 1 290.363 2.545 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+][C@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000423260223 394275022 /nfs/dbraw/zinc/27/50/22/394275022.db2.gz GZHRGHNTUMMYEX-JSGCOSHPSA-N 1 1 279.384 2.927 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270053 394275596 /nfs/dbraw/zinc/27/55/96/394275596.db2.gz WKERBAJYKDCYDQ-AAEUAGOBSA-N 1 1 265.357 2.619 20 5 CFBDMO Cc1cccc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450548527 394295109 /nfs/dbraw/zinc/29/51/09/394295109.db2.gz SISFTQNCWBLXMU-GFCCVEGCSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000154381599 394296406 /nfs/dbraw/zinc/29/64/06/394296406.db2.gz VXFKSIPSDGEBRY-OAHLLOKOSA-N 1 1 290.363 2.894 20 5 CFBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000170819815 394371767 /nfs/dbraw/zinc/37/17/67/394371767.db2.gz OOFFSOVFFSDWSI-FZMZJTMJSA-N 1 1 264.325 2.767 20 5 CFBDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451287502 394373378 /nfs/dbraw/zinc/37/33/78/394373378.db2.gz GDTKLAKHXYUDJR-AWEZNQCLSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878494 394379886 /nfs/dbraw/zinc/37/98/86/394379886.db2.gz JRXKHZVGCSLYDF-GXTWGEPZSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000535245076 394533345 /nfs/dbraw/zinc/53/33/45/394533345.db2.gz DFSYBFCZEDQVOR-UHFFFAOYSA-N 1 1 284.319 2.564 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000535804323 394546988 /nfs/dbraw/zinc/54/69/88/394546988.db2.gz NCLJBICUUKAYEK-GQCTYLIASA-N 1 1 276.336 2.719 20 5 CFBDMO COC(C)(C)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538828012 394617214 /nfs/dbraw/zinc/61/72/14/394617214.db2.gz FOAMZKATIZIDOE-CLFYSBASSA-N 1 1 278.352 2.965 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000543444321 394730578 /nfs/dbraw/zinc/73/05/78/394730578.db2.gz VSUAZXVDBZKDRU-AWEZNQCLSA-N 1 1 290.363 2.912 20 5 CFBDMO CCc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000543876770 394745872 /nfs/dbraw/zinc/74/58/72/394745872.db2.gz CRHWHNDIMZXROJ-JTQLQIEISA-N 1 1 286.335 2.851 20 5 CFBDMO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547769050 394888195 /nfs/dbraw/zinc/88/81/95/394888195.db2.gz ISDXMGLNAYFPGK-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547770321 394889322 /nfs/dbraw/zinc/88/93/22/394889322.db2.gz JAXJENLRVLBPMR-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000556954042 395026575 /nfs/dbraw/zinc/02/65/75/395026575.db2.gz QAGCFGNQVMVZCW-VFADXPBXSA-N 1 1 289.379 2.634 20 5 CFBDMO Cc1ccc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000356357459 155238256 /nfs/dbraw/zinc/23/82/56/155238256.db2.gz FYEPFMIXNNHPGG-SWLSCSKDSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909989 292295531 /nfs/dbraw/zinc/29/55/31/292295531.db2.gz MMYXBSQYHJRELQ-WBMJQRKESA-N 1 1 290.363 2.811 20 5 CFBDMO CO[C@@]1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000348218641 154365477 /nfs/dbraw/zinc/36/54/77/154365477.db2.gz ABJBFXGZYIWAFP-AWEZNQCLSA-N 1 1 282.315 2.735 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000348218641 154365481 /nfs/dbraw/zinc/36/54/81/154365481.db2.gz ABJBFXGZYIWAFP-AWEZNQCLSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000348286269 154396202 /nfs/dbraw/zinc/39/62/02/154396202.db2.gz YFRBBMGABAJNTB-LBPRGKRZSA-N 1 1 278.352 2.578 20 5 CFBDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358275961 155701172 /nfs/dbraw/zinc/70/11/72/155701172.db2.gz PKFOTOBTDNLXFL-LBPRGKRZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165702 156291101 /nfs/dbraw/zinc/29/11/01/156291101.db2.gz PGKLYIUQQVTSNA-OAHLLOKOSA-N 1 1 298.346 2.776 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000373759367 157029188 /nfs/dbraw/zinc/02/91/88/157029188.db2.gz HVFBZFSOFGMZQS-GFCCVEGCSA-N 1 1 276.336 2.835 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374675977 157147103 /nfs/dbraw/zinc/14/71/03/157147103.db2.gz GHHNHXPLJULFMY-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375320522 157226174 /nfs/dbraw/zinc/22/61/74/157226174.db2.gz NUMTWBKKJBCENB-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000376064901 157319788 /nfs/dbraw/zinc/31/97/88/157319788.db2.gz CZZWYZWUYCMJSL-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000344610623 162079761 /nfs/dbraw/zinc/07/97/61/162079761.db2.gz AXBHVKDFBWOWQC-RLWBPUTGSA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000344610623 162079763 /nfs/dbraw/zinc/07/97/63/162079763.db2.gz AXBHVKDFBWOWQC-RLWBPUTGSA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610623 162079766 /nfs/dbraw/zinc/07/97/66/162079766.db2.gz AXBHVKDFBWOWQC-RLWBPUTGSA-N 1 1 289.379 2.680 20 5 CFBDMO CCC[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000346334630 162385950 /nfs/dbraw/zinc/38/59/50/162385950.db2.gz KRVRIEHKDIKUHE-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC(O)C1 ZINC000347387447 162677814 /nfs/dbraw/zinc/67/78/14/162677814.db2.gz ZRRCTPGWSYASCH-WUXMJOGZSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000349859614 163027335 /nfs/dbraw/zinc/02/73/35/163027335.db2.gz AXNLPIGEESFFLD-VURMDHGXSA-N 1 1 264.325 2.576 20 5 CFBDMO COCCc1cc[nH+]c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000351568746 163148492 /nfs/dbraw/zinc/14/84/92/163148492.db2.gz OEOYMYYFLBSMMO-UHFFFAOYSA-N 1 1 287.319 2.791 20 5 CFBDMO Cc1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000351751443 163186582 /nfs/dbraw/zinc/18/65/82/163186582.db2.gz BHHBOKCYWIJRCY-SNVBAGLBSA-N 1 1 272.308 2.544 20 5 CFBDMO C[C@H](F)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351879729 163210906 /nfs/dbraw/zinc/21/09/06/163210906.db2.gz UTEYIWZSSPJUCO-JTQLQIEISA-N 1 1 252.289 2.701 20 5 CFBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000352780018 163233234 /nfs/dbraw/zinc/23/32/34/163233234.db2.gz RCBSEGAKFVBUES-LALPHHSUSA-N 1 1 278.352 2.667 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117449 163309223 /nfs/dbraw/zinc/30/92/23/163309223.db2.gz MMCVCAAQJOFQPP-IUCKJTJTSA-N 1 1 291.395 2.926 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117449 163309226 /nfs/dbraw/zinc/30/92/26/163309226.db2.gz MMCVCAAQJOFQPP-IUCKJTJTSA-N 1 1 291.395 2.926 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117459 163309460 /nfs/dbraw/zinc/30/94/60/163309460.db2.gz MMCVCAAQJOFQPP-LEJCZOIISA-N 1 1 291.395 2.926 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117459 163309462 /nfs/dbraw/zinc/30/94/62/163309462.db2.gz MMCVCAAQJOFQPP-LEJCZOIISA-N 1 1 291.395 2.926 20 5 CFBDMO CCc1nocc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000353360770 163351094 /nfs/dbraw/zinc/35/10/94/163351094.db2.gz LSLAZBGEQKKRER-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCC1 ZINC000353492762 163379094 /nfs/dbraw/zinc/37/90/94/163379094.db2.gz VCBSEFBYCRLITO-LLVKDONJSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126022 171009584 /nfs/dbraw/zinc/00/95/84/171009584.db2.gz LHGLTUTUVDWQHT-LLVKDONJSA-N 1 1 265.357 2.586 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000020526246 171239544 /nfs/dbraw/zinc/23/95/44/171239544.db2.gz DLFSZNRBTQLQRK-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H](c1cnccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285177024 196214684 /nfs/dbraw/zinc/21/46/84/196214684.db2.gz BMPUFFMMBJXJGZ-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO Cc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000040437577 174262728 /nfs/dbraw/zinc/26/27/28/174262728.db2.gz HGGQGQBJSHVBTC-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044572635 175210388 /nfs/dbraw/zinc/21/03/88/175210388.db2.gz JIOVOPYTOVMKHG-LLVKDONJSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(CO)o1)c1cccc([N+](=O)[O-])c1 ZINC000077897923 177307986 /nfs/dbraw/zinc/30/79/86/177307986.db2.gz FSCVBZSPMNDOJS-JTQLQIEISA-N 1 1 276.292 2.531 20 5 CFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c2cccnc21 ZINC000392849913 270306501 /nfs/dbraw/zinc/30/65/01/270306501.db2.gz WLZDWOCXIVLPSD-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1c(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270847 270316620 /nfs/dbraw/zinc/31/66/20/270316620.db2.gz MUNGQJZXXXAOIX-XUJVJEKNSA-N 1 1 291.395 2.708 20 5 CFBDMO CO[C@H](C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354368372 274075010 /nfs/dbraw/zinc/07/50/10/274075010.db2.gz OFIBGDKZIBCYKU-CYBMUJFWSA-N 1 1 280.368 2.883 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000227649589 275041394 /nfs/dbraw/zinc/04/13/94/275041394.db2.gz VNGDLACPVWKWOZ-NXEZZACHSA-N 1 1 296.758 2.682 20 5 CFBDMO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353605787 276053035 /nfs/dbraw/zinc/05/30/35/276053035.db2.gz LXSSAHTYPFOILF-ZDUSSCGKSA-N 1 1 291.395 2.854 20 5 CFBDMO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037126562 276091464 /nfs/dbraw/zinc/09/14/64/276091464.db2.gz ZPISZMYENUEDDU-VXGBXAGGSA-N 1 1 293.367 2.502 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000345149182 276250974 /nfs/dbraw/zinc/25/09/74/276250974.db2.gz NPYMQCPFZWVVCB-OLZOCXBDSA-N 1 1 277.368 2.822 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000265979058 276256107 /nfs/dbraw/zinc/25/61/07/276256107.db2.gz ASGBEFDHYONESI-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000286316195 277084545 /nfs/dbraw/zinc/08/45/45/277084545.db2.gz UJMPNCBNNMFHSL-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085041 278353182 /nfs/dbraw/zinc/35/31/82/278353182.db2.gz CVOUJDQDKDAUOT-NWDGAFQWSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085041 278353183 /nfs/dbraw/zinc/35/31/83/278353183.db2.gz CVOUJDQDKDAUOT-NWDGAFQWSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000278789569 278365281 /nfs/dbraw/zinc/36/52/81/278365281.db2.gz QHGLYHNVUMKPHY-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000330603361 280038564 /nfs/dbraw/zinc/03/85/64/280038564.db2.gz FZVSRJKLBQSJSY-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000330603361 280038566 /nfs/dbraw/zinc/03/85/66/280038566.db2.gz FZVSRJKLBQSJSY-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414994736 280882720 /nfs/dbraw/zinc/88/27/20/280882720.db2.gz VESOBVAONWEIOB-AEGPPILISA-N 1 1 291.395 2.633 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccccc1[N+](=O)[O-] ZINC000450827477 288285769 /nfs/dbraw/zinc/28/57/69/288285769.db2.gz HYUFLEQJXZWFIS-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000249626029 281064743 /nfs/dbraw/zinc/06/47/43/281064743.db2.gz UANOCNMNCUFWIZ-VHSXEESVSA-N 1 1 284.385 2.584 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305672118 281154703 /nfs/dbraw/zinc/15/47/03/281154703.db2.gz XMNZKKZYUMIGMW-DYEKYZERSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278924 281210347 /nfs/dbraw/zinc/21/03/47/281210347.db2.gz ZCTSJYQGSFEYRE-UWVGGRQHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278924 281210350 /nfs/dbraw/zinc/21/03/50/281210350.db2.gz ZCTSJYQGSFEYRE-UWVGGRQHSA-N 1 1 284.743 2.593 20 5 CFBDMO Cc1cccc(N2CCOc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC000357805768 281229099 /nfs/dbraw/zinc/22/90/99/281229099.db2.gz MPDMHRYBWWZCHK-UHFFFAOYSA-N 1 1 285.303 2.697 20 5 CFBDMO Cc1cccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292696615 281229202 /nfs/dbraw/zinc/22/92/02/281229202.db2.gz FUIHSKCFJHSJKI-INIZCTEOSA-N 1 1 289.379 2.825 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357041219 289014717 /nfs/dbraw/zinc/01/47/17/289014717.db2.gz QLBDXAKZVQQNIJ-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312570586 290016452 /nfs/dbraw/zinc/01/64/52/290016452.db2.gz OGKQKCAPJPOKAW-LLVKDONJSA-N 1 1 281.331 2.796 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563811835 290175779 /nfs/dbraw/zinc/17/57/79/290175779.db2.gz ONWWPEGLNNOARJ-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563811835 290175780 /nfs/dbraw/zinc/17/57/80/290175780.db2.gz ONWWPEGLNNOARJ-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000572617941 322625831 /nfs/dbraw/zinc/62/58/31/322625831.db2.gz MJRMBHIMIXSMIY-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO CC(C)c1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000575180802 322720953 /nfs/dbraw/zinc/72/09/53/322720953.db2.gz DDVKAOKKFOVHLZ-NEPJUHHUSA-N 1 1 279.384 2.934 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000583844875 325314151 /nfs/dbraw/zinc/31/41/51/325314151.db2.gz JRAUWGCJDFSKIT-NEPJUHHUSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000584170796 325334971 /nfs/dbraw/zinc/33/49/71/325334971.db2.gz KHRDZQYQPJXHQN-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCOC[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000584170796 325334974 /nfs/dbraw/zinc/33/49/74/325334974.db2.gz KHRDZQYQPJXHQN-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO C[N@H+](Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269714927 500775051 /nfs/dbraw/zinc/77/50/51/500775051.db2.gz RRBFKQWWUQDTIM-AWEZNQCLSA-N 1 1 292.360 2.822 20 5 CFBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470767 519863762 /nfs/dbraw/zinc/86/37/62/519863762.db2.gz WVVHFFAWHJYIIX-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO CC1(C)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077383135 520336105 /nfs/dbraw/zinc/33/61/05/520336105.db2.gz HFXBTQPXXHZXPG-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CCCc1[nH+]ccn1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000070424455 521555136 /nfs/dbraw/zinc/55/51/36/521555136.db2.gz BMJFWXNMXGRNCH-UHFFFAOYSA-N 1 1 275.308 2.801 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000357774626 521613477 /nfs/dbraw/zinc/61/34/77/521613477.db2.gz LJLBTDGBXJJPES-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000062057720 522487785 /nfs/dbraw/zinc/48/77/85/522487785.db2.gz HZOPVLXNWJPKGW-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000218863325 522763018 /nfs/dbraw/zinc/76/30/18/522763018.db2.gz UGUBWVORUOPONX-VHSXEESVSA-N 1 1 297.330 2.637 20 5 CFBDMO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000073616604 523753560 /nfs/dbraw/zinc/75/35/60/523753560.db2.gz MOYLNAMCTGUSNT-UHFFFAOYSA-N 1 1 266.341 2.699 20 5 CFBDMO C[C@H]1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391044 524777175 /nfs/dbraw/zinc/77/71/75/524777175.db2.gz ZZAJCRQRVYVUEO-ZFWWWQNUSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000092026830 525267974 /nfs/dbraw/zinc/26/79/74/525267974.db2.gz IIUVVNQWIBXXLT-YHWZYXNKSA-N 1 1 290.367 2.583 20 5 CFBDMO C[C@H](NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000049574427 525350352 /nfs/dbraw/zinc/35/03/52/525350352.db2.gz DTVSCWWSLOTLRG-ZDUSSCGKSA-N 1 1 277.368 2.731 20 5 CFBDMO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306602 525376865 /nfs/dbraw/zinc/37/68/65/525376865.db2.gz FNDHIPITEZMHDU-NHYWBVRUSA-N 1 1 277.368 2.586 20 5 CFBDMO Cc1cn2cc(Nc3ncc(C)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000361259535 525954178 /nfs/dbraw/zinc/95/41/78/525954178.db2.gz BQJOOHYLHIJITD-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CCCCC2)n1 ZINC000360656313 526060913 /nfs/dbraw/zinc/06/09/13/526060913.db2.gz GXPWBBMMSJSOBE-UHFFFAOYSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000084726450 526064293 /nfs/dbraw/zinc/06/42/93/526064293.db2.gz FYKBLZCXLDYSTE-GXTWGEPZSA-N 1 1 275.352 2.942 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450308288 536477328 /nfs/dbraw/zinc/47/73/28/536477328.db2.gz KWWLHQRCXGWBAI-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365869478 527332756 /nfs/dbraw/zinc/33/27/56/527332756.db2.gz GBWJMMZSHKBJHQ-SMDDNHRTSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365869478 527332760 /nfs/dbraw/zinc/33/27/60/527332760.db2.gz GBWJMMZSHKBJHQ-SMDDNHRTSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000311329820 527349849 /nfs/dbraw/zinc/34/98/49/527349849.db2.gz FWYZMRVHHYOIFM-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000235190744 527454362 /nfs/dbraw/zinc/45/43/62/527454362.db2.gz SDBUCPOCPLOHRQ-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO CCC([NH3+])(CC)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423291124 528952577 /nfs/dbraw/zinc/95/25/77/528952577.db2.gz GWZZQXVHKOSKFL-GFCCVEGCSA-N 1 1 279.384 2.633 20 5 CFBDMO CCCC[C@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811091 528952789 /nfs/dbraw/zinc/95/27/89/528952789.db2.gz IVBHJWSICJPSKC-IZPAUZPXSA-N 1 1 277.368 2.715 20 5 CFBDMO CC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000190524021 529124254 /nfs/dbraw/zinc/12/42/54/529124254.db2.gz NTTJYCKZSNRBMZ-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000453141830 535809127 /nfs/dbraw/zinc/80/91/27/535809127.db2.gz UBLIOECQMYPXHT-KGLIPLIRSA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450175 574074981 /nfs/dbraw/zinc/07/49/81/574074981.db2.gz ODEMCGHKVPVXEO-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO CC1(C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000754661121 574111460 /nfs/dbraw/zinc/11/14/60/574111460.db2.gz WIJYCBISSCODQY-UHFFFAOYSA-N 1 1 261.281 2.720 20 5 CFBDMO CC1(C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000754661121 574111462 /nfs/dbraw/zinc/11/14/62/574111462.db2.gz WIJYCBISSCODQY-UHFFFAOYSA-N 1 1 261.281 2.720 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000755067863 574135838 /nfs/dbraw/zinc/13/58/38/574135838.db2.gz URUQFXABMPIGDZ-YPMHNXCESA-N 1 1 262.309 2.588 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000756121063 574211173 /nfs/dbraw/zinc/21/11/73/574211173.db2.gz XLKUDFQBVTUGHG-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891624805 617690188 /nfs/dbraw/zinc/69/01/88/617690188.db2.gz GYZOXLKQZQMBJC-SNVBAGLBSA-N 1 1 282.340 2.929 20 5 CFBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000308635249 617715346 /nfs/dbraw/zinc/71/53/46/617715346.db2.gz HLKXWYSUBULHBD-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000891863080 617791143 /nfs/dbraw/zinc/79/11/43/617791143.db2.gz ULOVEZYERZMWBB-WDEREUQCSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000892021816 617915876 /nfs/dbraw/zinc/91/58/76/617915876.db2.gz NTHJKPBSQSXCLP-UHFFFAOYSA-N 1 1 280.324 2.541 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000892069927 617937589 /nfs/dbraw/zinc/93/75/89/617937589.db2.gz QIAAATZTVDZIKY-WDEREUQCSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892069926 617937783 /nfs/dbraw/zinc/93/77/83/617937783.db2.gz QIAAATZTVDZIKY-QWRGUYRKSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cncs1 ZINC000934192985 617942608 /nfs/dbraw/zinc/94/26/08/617942608.db2.gz AZMUSAANKZGGOY-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC[C@@H]2CC2CC2)cccc1[N+](=O)[O-] ZINC000933214120 618170535 /nfs/dbraw/zinc/17/05/35/618170535.db2.gz VBUKRBAGIGIHMU-HNNXBMFYSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCOC[C@@H]2CC2CC2)cccc1[N+](=O)[O-] ZINC000933214120 618170539 /nfs/dbraw/zinc/17/05/39/618170539.db2.gz VBUKRBAGIGIHMU-HNNXBMFYSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CO)cc1Cl ZINC000895149890 618393262 /nfs/dbraw/zinc/39/32/62/618393262.db2.gz CQDKBEIIRIELMZ-GFCCVEGCSA-N 1 1 298.770 2.985 20 5 CFBDMO [NH3+]CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261756937 618418007 /nfs/dbraw/zinc/41/80/07/618418007.db2.gz COXPQNWXPNRHNR-NSHDSACASA-N 1 1 297.786 2.809 20 5 CFBDMO COC[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178030477 618619935 /nfs/dbraw/zinc/61/99/35/618619935.db2.gz KOVGPISXKAUBKY-JTQLQIEISA-N 1 1 286.759 2.963 20 5 CFBDMO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000055033894 618634113 /nfs/dbraw/zinc/63/41/13/618634113.db2.gz YLKZNQMPBBVUJQ-CQSZACIVSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1cccc([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000055033894 618634116 /nfs/dbraw/zinc/63/41/16/618634116.db2.gz YLKZNQMPBBVUJQ-CQSZACIVSA-N 1 1 286.335 2.894 20 5 CFBDMO CC[C@H](CO)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641091 618903530 /nfs/dbraw/zinc/90/35/30/618903530.db2.gz VTMCTDDQHHHUCM-ZIAGYGMSSA-N 1 1 278.352 2.545 20 5 CFBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[N@H+]1C ZINC000092628195 618915185 /nfs/dbraw/zinc/91/51/85/618915185.db2.gz WBOOYNPTMBFKHU-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO CCn1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000893280126 618929161 /nfs/dbraw/zinc/92/91/61/618929161.db2.gz VMFHPUNXKYHNBE-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000314143128 619057826 /nfs/dbraw/zinc/05/78/26/619057826.db2.gz UENQFZPBZQEFBW-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000894879732 619495082 /nfs/dbraw/zinc/49/50/82/619495082.db2.gz XNHJLYONZYHDFQ-PHIMTYICSA-N 1 1 281.743 2.531 20 5 CFBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000895565001 619559594 /nfs/dbraw/zinc/55/95/94/619559594.db2.gz RXEMVNMMYZSVBA-VURMDHGXSA-N 1 1 289.379 2.634 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000895739220 619593592 /nfs/dbraw/zinc/59/35/92/619593592.db2.gz YAPPFXZPYLHMFF-ZYHUDNBSSA-N 1 1 286.335 2.648 20 5 CFBDMO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000895833313 619619317 /nfs/dbraw/zinc/61/93/17/619619317.db2.gz MQGVEYMXAXWHLK-UHFFFAOYSA-N 1 1 276.292 2.795 20 5 CFBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCF ZINC000895898047 619629904 /nfs/dbraw/zinc/62/99/04/619629904.db2.gz IWDLJIHMUGHDJL-QPJJXVBHSA-N 1 1 252.289 2.899 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCCn1cc[nH+]c1C(C)C ZINC000895988662 619649228 /nfs/dbraw/zinc/64/92/28/619649228.db2.gz VGDYMGBEOKPLHB-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO CCO[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000897069514 619925271 /nfs/dbraw/zinc/92/52/71/619925271.db2.gz WPDDANCFFZUSJF-VSKVDJIOSA-N 1 1 276.336 2.719 20 5 CFBDMO CO[C@H]1CC[C@H]1N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897142895 619938960 /nfs/dbraw/zinc/93/89/60/619938960.db2.gz VEZRWJUWFBLMJZ-CABCVRRESA-N 1 1 287.319 2.757 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832605643 625423607 /nfs/dbraw/zinc/42/36/07/625423607.db2.gz IISPEYILYSHTOZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832605643 625423617 /nfs/dbraw/zinc/42/36/17/625423617.db2.gz IISPEYILYSHTOZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1ncccc1COc1cc[nH+]c2c1CCCC2 ZINC000902491016 621102363 /nfs/dbraw/zinc/10/23/63/621102363.db2.gz JRLCXZWEUZIHBY-UHFFFAOYSA-N 1 1 285.303 2.843 20 5 CFBDMO Cc1c([C@H](C)[NH2+]Cc2csc(N)n2)cccc1[N+](=O)[O-] ZINC000902491650 621102996 /nfs/dbraw/zinc/10/29/96/621102996.db2.gz RFCSRPZIBCIVQM-VIFPVBQESA-N 1 1 292.364 2.793 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287784 621318964 /nfs/dbraw/zinc/31/89/64/621318964.db2.gz PYEAFUUMGYGPRW-XPKDYRNWSA-N 1 1 289.379 2.872 20 5 CFBDMO [NH3+]CCCCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903883753 621463802 /nfs/dbraw/zinc/46/38/02/621463802.db2.gz YZRPBZWGSZXVKF-UHFFFAOYSA-N 1 1 291.395 2.862 20 5 CFBDMO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000904186963 621538707 /nfs/dbraw/zinc/53/87/07/621538707.db2.gz DQRJGLPSPQOBSA-CQSZACIVSA-N 1 1 291.351 2.715 20 5 CFBDMO CCC[N@@H+](C)[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254617 621728039 /nfs/dbraw/zinc/72/80/39/621728039.db2.gz DJTZFMZYJXAMMN-CQSZACIVSA-N 1 1 299.802 2.589 20 5 CFBDMO CCCN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254617 621728042 /nfs/dbraw/zinc/72/80/42/621728042.db2.gz DJTZFMZYJXAMMN-CQSZACIVSA-N 1 1 299.802 2.589 20 5 CFBDMO CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000821342142 622899275 /nfs/dbraw/zinc/89/92/75/622899275.db2.gz KZRIWRRVDCTDEQ-CHWSQXEVSA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1Cl ZINC000225381153 623037059 /nfs/dbraw/zinc/03/70/59/623037059.db2.gz VQTHWAPWJOAQGR-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCO)C2)ccc1Cl ZINC000225381153 623037066 /nfs/dbraw/zinc/03/70/66/623037066.db2.gz VQTHWAPWJOAQGR-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000825339065 623676735 /nfs/dbraw/zinc/67/67/35/623676735.db2.gz ZOQFSYFGIFQXSP-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO COCC[N@H+](CCF)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000827054687 623932973 /nfs/dbraw/zinc/93/29/73/623932973.db2.gz VRBNXGDEXCNMNA-RAXLEYEMSA-N 1 1 296.342 2.916 20 5 CFBDMO COCC[N@@H+](CCF)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000827054687 623932978 /nfs/dbraw/zinc/93/29/78/623932978.db2.gz VRBNXGDEXCNMNA-RAXLEYEMSA-N 1 1 296.342 2.916 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000828856861 624313884 /nfs/dbraw/zinc/31/38/84/624313884.db2.gz VVPSXRFMSUDFHP-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 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O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839681198 626552254 /nfs/dbraw/zinc/55/22/54/626552254.db2.gz QNGRYXHYCGOCIH-ZBFHGGJFSA-N 1 1 290.363 2.750 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764962407 627109188 /nfs/dbraw/zinc/10/91/88/627109188.db2.gz HYWVMFFJHMFTLT-SNVBAGLBSA-N 1 1 274.324 2.552 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062313 627116948 /nfs/dbraw/zinc/11/69/48/627116948.db2.gz RDWQQCYBUFZVHH-ZYHUDNBSSA-N 1 1 288.351 2.941 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000765643666 627152333 /nfs/dbraw/zinc/15/23/33/627152333.db2.gz RDYFRJUDMVWPQO-GHMZBOCLSA-N 1 1 281.331 2.653 20 5 CFBDMO CCCCC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000767764913 627283251 /nfs/dbraw/zinc/28/32/51/627283251.db2.gz NIDNJPPAIYDABG-GFCCVEGCSA-N 1 1 266.345 2.794 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000767764913 627283255 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CC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783527314 628716861 /nfs/dbraw/zinc/71/68/61/628716861.db2.gz VMQRAQWUCJKTAC-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680284 628733863 /nfs/dbraw/zinc/73/38/63/628733863.db2.gz WAIYTQDHKBHYOG-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000784006596 628761775 /nfs/dbraw/zinc/76/17/75/628761775.db2.gz AFJSWJLJWLBYFA-CYBMUJFWSA-N 1 1 278.356 2.654 20 5 CFBDMO Cc1ccc([C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000784025845 628765816 /nfs/dbraw/zinc/76/58/16/628765816.db2.gz PWXUYIGWFRLOIO-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513652 628823138 /nfs/dbraw/zinc/82/31/38/628823138.db2.gz DRNKUFHCVCROFT-HIFRSBDPSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000785730225 628908734 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/nfs/dbraw/zinc/78/62/19/634786219.db2.gz WZFWGMPBSYOEGM-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO CCc1ccc(OC(=O)[C@@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000798829997 630243392 /nfs/dbraw/zinc/24/33/92/630243392.db2.gz RVNTZPOZFINQRM-CQSZACIVSA-N 1 1 294.351 2.649 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804349709 630674368 /nfs/dbraw/zinc/67/43/68/630674368.db2.gz ZNWANSNVHZKJDQ-UHFFFAOYSA-N 1 1 296.327 2.645 20 5 CFBDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840149445 631057962 /nfs/dbraw/zinc/05/79/62/631057962.db2.gz IOHRJHSYYSWLLH-NSHDSACASA-N 1 1 266.345 2.507 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC(C)(C)C1 ZINC000840184263 631273864 /nfs/dbraw/zinc/27/38/64/631273864.db2.gz MHNOTYNPRNTRNE-UHFFFAOYSA-N 1 1 280.372 2.876 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841890243 631488874 /nfs/dbraw/zinc/48/88/74/631488874.db2.gz LSZDSRHZRJDASK-VWYCJHECSA-N 1 1 293.323 2.979 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842166213 631558583 /nfs/dbraw/zinc/55/85/83/631558583.db2.gz JNJXHMQHWZHAPP-ZAZJYDDPSA-N 1 1 278.352 2.605 20 5 CFBDMO CC[N@@H+](CCNc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000811798910 631624172 /nfs/dbraw/zinc/62/41/72/631624172.db2.gz OBIQHCXMQMNIBM-UHFFFAOYSA-N 1 1 269.320 2.876 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000812893549 631803082 /nfs/dbraw/zinc/80/30/82/631803082.db2.gz XAUGCGPXEHZQGJ-CQSZACIVSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000814928397 632169210 /nfs/dbraw/zinc/16/92/10/632169210.db2.gz HEWUVGPROMPUTO-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845737469 632542953 /nfs/dbraw/zinc/54/29/53/632542953.db2.gz HXMXDDYQEIVARG-ZDUSSCGKSA-N 1 1 292.335 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000817292729 632596588 /nfs/dbraw/zinc/59/65/88/632596588.db2.gz VUQTZMWLOZYARP-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000817292729 632596590 /nfs/dbraw/zinc/59/65/90/632596590.db2.gz VUQTZMWLOZYARP-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817299400 632599115 /nfs/dbraw/zinc/59/91/15/632599115.db2.gz ZFAZPJSPFIEVFC-LBPRGKRZSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412871 632624400 /nfs/dbraw/zinc/62/44/00/632624400.db2.gz PWRVJLLBINFVEL-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCC1 ZINC000848481344 633264524 /nfs/dbraw/zinc/26/45/24/633264524.db2.gz XXIPXPRNSDDLTM-UHFFFAOYSA-N 1 1 286.335 2.900 20 5 CFBDMO C[C@H](O[NH+]=C(N)[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000848521953 633275160 /nfs/dbraw/zinc/27/51/60/633275160.db2.gz UTISFZNVHASRIC-VDDIYKPWSA-N 1 1 263.297 2.810 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000848554599 633287956 /nfs/dbraw/zinc/28/79/56/633287956.db2.gz XPRKRUVQOZSVRO-OLZOCXBDSA-N 1 1 284.319 2.513 20 5 CFBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000848786454 633343385 /nfs/dbraw/zinc/34/33/85/633343385.db2.gz QRVBHKOOHXEAEN-JSGCOSHPSA-N 1 1 290.367 2.606 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111165770 634936729 /nfs/dbraw/zinc/93/67/29/634936729.db2.gz DIDHZEGIDQUNRX-LLVKDONJSA-N 1 1 276.340 2.880 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853555587 635035653 /nfs/dbraw/zinc/03/56/53/635035653.db2.gz ZBVFRTXXVQOIQT-CYBMUJFWSA-N 1 1 278.356 2.651 20 5 CFBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2)c1 ZINC000853575278 635040198 /nfs/dbraw/zinc/04/01/98/635040198.db2.gz CXWMGCWDLRGXQH-ZIAGYGMSSA-N 1 1 298.346 2.758 20 5 CFBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853731781 635087734 /nfs/dbraw/zinc/08/77/34/635087734.db2.gz RCXVVTQYPSCZPI-HTRCEHHLSA-N 1 1 285.250 2.527 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000853746353 635091459 /nfs/dbraw/zinc/09/14/59/635091459.db2.gz IAKMPGZHCYALLE-LBPRGKRZSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114445206 635834416 /nfs/dbraw/zinc/83/44/16/635834416.db2.gz SIXFOSDNVWMSSJ-AWEZNQCLSA-N 1 1 276.340 2.571 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114445206 635834423 /nfs/dbraw/zinc/83/44/23/635834423.db2.gz SIXFOSDNVWMSSJ-AWEZNQCLSA-N 1 1 276.340 2.571 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000856802615 635864462 /nfs/dbraw/zinc/86/44/62/635864462.db2.gz SZXWNXPKTDEFPY-CYBMUJFWSA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000856802615 635864465 /nfs/dbraw/zinc/86/44/65/635864465.db2.gz SZXWNXPKTDEFPY-CYBMUJFWSA-N 1 1 296.342 2.717 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccns1 ZINC000860062247 636773487 /nfs/dbraw/zinc/77/34/87/636773487.db2.gz SFNVCAOTIPJSEQ-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860128443 636794215 /nfs/dbraw/zinc/79/42/15/636794215.db2.gz MWJNUAKLYDUYHT-CUOATXAZSA-N 1 1 296.754 2.593 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440992 637381088 /nfs/dbraw/zinc/38/10/88/637381088.db2.gz NJNLMSHJFZBCAL-DTORHVGOSA-N 1 1 252.701 2.700 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440992 637381089 /nfs/dbraw/zinc/38/10/89/637381089.db2.gz NJNLMSHJFZBCAL-DTORHVGOSA-N 1 1 252.701 2.700 20 5 CFBDMO C[C@@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000863315377 637624614 /nfs/dbraw/zinc/62/46/14/637624614.db2.gz VDNAMXJMBLWURM-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO C/C=C\C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341133 637631162 /nfs/dbraw/zinc/63/11/62/637631162.db2.gz PRPLIPNUKIPBTL-DHCBQETCSA-N 1 1 278.356 2.735 20 5 CFBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341133 637631167 /nfs/dbraw/zinc/63/11/67/637631167.db2.gz PRPLIPNUKIPBTL-DHCBQETCSA-N 1 1 278.356 2.735 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000866112828 638742768 /nfs/dbraw/zinc/74/27/68/638742768.db2.gz LFCUQWLIQIXETQ-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)ncc1[N+](=O)[O-] ZINC000866194821 638767444 /nfs/dbraw/zinc/76/74/44/638767444.db2.gz KKCPFMVEYDZPKV-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000866194821 638767446 /nfs/dbraw/zinc/76/74/46/638767446.db2.gz KKCPFMVEYDZPKV-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866195375 638767563 /nfs/dbraw/zinc/76/75/63/638767563.db2.gz SKPKUYWRJDIGPC-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866195375 638767565 /nfs/dbraw/zinc/76/75/65/638767565.db2.gz SKPKUYWRJDIGPC-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207716 638770337 /nfs/dbraw/zinc/77/03/37/638770337.db2.gz JDYATYMFMBMXQR-JQWIXIFHSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207940 638770941 /nfs/dbraw/zinc/77/09/41/638770941.db2.gz RUYKSSNBSFTBBZ-JQWIXIFHSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866207944 638770980 /nfs/dbraw/zinc/77/09/80/638770980.db2.gz RUYKSSNBSFTBBZ-ZYHUDNBSSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019964 641551146 /nfs/dbraw/zinc/55/11/46/641551146.db2.gz BDMSUJKXKPIFRA-CABZTGNLSA-N 1 1 294.282 2.711 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](C)C1 ZINC000872030812 641560154 /nfs/dbraw/zinc/56/01/54/641560154.db2.gz CPBUTQHVRZUHGU-MNOVXSKESA-N 1 1 295.408 2.671 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](C)C1 ZINC000872030812 641560162 /nfs/dbraw/zinc/56/01/62/641560162.db2.gz CPBUTQHVRZUHGU-MNOVXSKESA-N 1 1 295.408 2.671 20 5 CFBDMO C[C@@H]([NH2+]CCOCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035337 641567692 /nfs/dbraw/zinc/56/76/92/641567692.db2.gz LZMRPNJBBRXRFC-SNVBAGLBSA-N 1 1 282.315 2.811 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089508 641623634 /nfs/dbraw/zinc/62/36/34/641623634.db2.gz YYFPKGHBNYVCCY-NEPJUHHUSA-N 1 1 295.358 2.869 20 5 CFBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872257751 641720996 /nfs/dbraw/zinc/72/09/96/641720996.db2.gz VWMOPNBZVOBAIS-CFVMTHIKSA-N 1 1 290.363 2.576 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000872819326 641945729 /nfs/dbraw/zinc/94/57/29/641945729.db2.gz XYRIVRXTWRMAKD-JTQLQIEISA-N 1 1 268.361 2.671 20 5 CFBDMO Cc1c(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133594 642024236 /nfs/dbraw/zinc/02/42/36/642024236.db2.gz FJGKRDWBDJONNM-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133594 642024241 /nfs/dbraw/zinc/02/42/41/642024241.db2.gz FJGKRDWBDJONNM-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO CC(C)C[N@@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000124549806 642220445 /nfs/dbraw/zinc/22/04/45/642220445.db2.gz PFMMZLIQBZKHBB-UHFFFAOYSA-N 1 1 268.361 2.753 20 5 CFBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000195311075 650745936 /nfs/dbraw/zinc/74/59/36/650745936.db2.gz BRTGNASBILCOLM-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000195311075 650745937 /nfs/dbraw/zinc/74/59/37/650745937.db2.gz BRTGNASBILCOLM-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000877169904 643186871 /nfs/dbraw/zinc/18/68/71/643186871.db2.gz HGTHNWIZGCSHQK-UONOGXRCSA-N 1 1 292.379 2.804 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877796276 643563334 /nfs/dbraw/zinc/56/33/34/643563334.db2.gz BSGVDBUVVZFICI-GFCCVEGCSA-N 1 1 296.342 2.717 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320670 644225868 /nfs/dbraw/zinc/22/58/68/644225868.db2.gz KSUHUPCFWKTVLP-GXSJLCMTSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320670 644225874 /nfs/dbraw/zinc/22/58/74/644225874.db2.gz KSUHUPCFWKTVLP-GXSJLCMTSA-N 1 1 270.354 2.656 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879530230 644309055 /nfs/dbraw/zinc/30/90/55/644309055.db2.gz PZHPOXOPXKCGHK-LZWOXQAQSA-N 1 1 288.347 2.526 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880231980 644591981 /nfs/dbraw/zinc/59/19/81/644591981.db2.gz CKHNWOKTHDNACI-LBPRGKRZSA-N 1 1 282.315 2.785 20 5 CFBDMO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774379 650963120 /nfs/dbraw/zinc/96/31/20/650963120.db2.gz NZFQOCREMIQFIT-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882382854 645295393 /nfs/dbraw/zinc/29/53/93/645295393.db2.gz XPSZZIZGVYJKSA-SNVBAGLBSA-N 1 1 284.335 2.661 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000882960424 645530693 /nfs/dbraw/zinc/53/06/93/645530693.db2.gz JLEPILOJTSWOAK-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(F)F ZINC000883400094 645796566 /nfs/dbraw/zinc/79/65/66/645796566.db2.gz DEPSZFKYCOONJJ-YUMQZZPRSA-N 1 1 276.258 2.908 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000305308945 651057747 /nfs/dbraw/zinc/05/77/47/651057747.db2.gz JBCYQDSVCOSWKC-SMDDNHRTSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1Cl ZINC000133334187 646074275 /nfs/dbraw/zinc/07/42/75/646074275.db2.gz OPCPIBWKFYZUFN-GFCCVEGCSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000886038478 646834340 /nfs/dbraw/zinc/83/43/40/646834340.db2.gz WJMBURXKDLNGJA-OLZOCXBDSA-N 1 1 293.392 2.850 20 5 CFBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886046860 646841199 /nfs/dbraw/zinc/84/11/99/646841199.db2.gz RAQOFHSTUASVTP-AWEZNQCLSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886046860 646841202 /nfs/dbraw/zinc/84/12/02/646841202.db2.gz RAQOFHSTUASVTP-AWEZNQCLSA-N 1 1 286.335 2.665 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000886100331 646872072 /nfs/dbraw/zinc/87/20/72/646872072.db2.gz KTYCGZYYTVROQM-UHFFFAOYSA-N 1 1 298.346 2.764 20 5 CFBDMO Cc1ccc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])cn1 ZINC000886134490 646888386 /nfs/dbraw/zinc/88/83/86/646888386.db2.gz UHBNQPHCHQFTHU-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000886201617 646916854 /nfs/dbraw/zinc/91/68/54/646916854.db2.gz KNFGZNHUKZEBSN-UHFFFAOYSA-N 1 1 285.303 2.872 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000886201617 646916858 /nfs/dbraw/zinc/91/68/58/646916858.db2.gz KNFGZNHUKZEBSN-UHFFFAOYSA-N 1 1 285.303 2.872 20 5 CFBDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314314 646966122 /nfs/dbraw/zinc/96/61/22/646966122.db2.gz SSAYCWYQORJTDK-LLVKDONJSA-N 1 1 289.257 2.764 20 5 CFBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314314 646966123 /nfs/dbraw/zinc/96/61/23/646966123.db2.gz SSAYCWYQORJTDK-LLVKDONJSA-N 1 1 289.257 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886832545 647156644 /nfs/dbraw/zinc/15/66/44/647156644.db2.gz JQLKHUXVQLHMMB-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000889879959 647688330 /nfs/dbraw/zinc/68/83/30/647688330.db2.gz RCDZKFUELGGOKD-RYUDHWBXSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925675229 648274385 /nfs/dbraw/zinc/27/43/85/648274385.db2.gz MKNFFIOTRSWFKC-GDLCADMTSA-N 1 1 275.352 2.515 20 5 CFBDMO CCC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000930233479 649211353 /nfs/dbraw/zinc/21/13/53/649211353.db2.gz RAJSJORLHGNZQC-LBPRGKRZSA-N 1 1 258.268 2.672 20 5 CFBDMO COC/C(C)=C/C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354626 649236280 /nfs/dbraw/zinc/23/62/80/649236280.db2.gz RBMRHEULPKDGNC-NTUHNPAUSA-N 1 1 278.352 2.662 20 5 CFBDMO C[N@@H+](CCc1ccns1)CCc1ccccc1[N+](=O)[O-] ZINC000930438912 649247456 /nfs/dbraw/zinc/24/74/56/649247456.db2.gz FNPWCUQQKRACFN-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO COC/C(C)=C/C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930439490 649247616 /nfs/dbraw/zinc/24/76/16/649247616.db2.gz IMJOJUDYNIYJTC-MDWZMJQESA-N 1 1 278.352 2.662 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000930449011 649250156 /nfs/dbraw/zinc/25/01/56/649250156.db2.gz KVGIVTFIBCJAQM-UHFFFAOYSA-N 1 1 268.744 2.829 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000930449011 649250158 /nfs/dbraw/zinc/25/01/58/649250158.db2.gz KVGIVTFIBCJAQM-UHFFFAOYSA-N 1 1 268.744 2.829 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000930825893 649332360 /nfs/dbraw/zinc/33/23/60/649332360.db2.gz ONYXUBQMJGRBQZ-CQSZACIVSA-N 1 1 258.321 2.656 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000930825893 649332363 /nfs/dbraw/zinc/33/23/63/649332363.db2.gz ONYXUBQMJGRBQZ-CQSZACIVSA-N 1 1 258.321 2.656 20 5 CFBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000930847776 649335038 /nfs/dbraw/zinc/33/50/38/649335038.db2.gz COJPGEDXONFFQJ-SNVBAGLBSA-N 1 1 268.744 2.578 20 5 CFBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000930847776 649335041 /nfs/dbraw/zinc/33/50/41/649335041.db2.gz COJPGEDXONFFQJ-SNVBAGLBSA-N 1 1 268.744 2.578 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000931923479 649511870 /nfs/dbraw/zinc/51/18/70/649511870.db2.gz OSLBWZNBETYZLZ-CJNGLKHVSA-N 1 1 299.330 2.665 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000931923479 649511872 /nfs/dbraw/zinc/51/18/72/649511872.db2.gz OSLBWZNBETYZLZ-CJNGLKHVSA-N 1 1 299.330 2.665 20 5 CFBDMO Cc1cccc(C)c1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000933765488 649719938 /nfs/dbraw/zinc/71/99/38/649719938.db2.gz UKKNPILZDGAGGG-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934298031 649769901 /nfs/dbraw/zinc/76/99/01/649769901.db2.gz RTTJIVGGZFBPIG-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934301049 649770562 /nfs/dbraw/zinc/77/05/62/649770562.db2.gz RWFFDCZTVYWSQI-GFCCVEGCSA-N 1 1 280.393 2.965 20 5 CFBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000723014650 770446041 /nfs/dbraw/zinc/44/60/41/770446041.db2.gz IAHGNZSLGYLHRJ-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000723014650 770446044 /nfs/dbraw/zinc/44/60/44/770446044.db2.gz IAHGNZSLGYLHRJ-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000724122875 770797047 /nfs/dbraw/zinc/79/70/47/770797047.db2.gz UWXNEPAYUORBTL-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000724122875 770797049 /nfs/dbraw/zinc/79/70/49/770797049.db2.gz UWXNEPAYUORBTL-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000404382853 773230112 /nfs/dbraw/zinc/23/01/12/773230112.db2.gz LROZNDHAADCXBB-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430450 775454211 /nfs/dbraw/zinc/45/42/11/775454211.db2.gz BUNBYJRIZYAYHS-VIFPVBQESA-N 1 1 285.731 2.505 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694697614 775549729 /nfs/dbraw/zinc/54/97/29/775549729.db2.gz HKEGAULMUZOSKU-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694697614 775549736 /nfs/dbraw/zinc/54/97/36/775549736.db2.gz HKEGAULMUZOSKU-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CO)CC2)ccc1Cl ZINC000293090856 775555188 /nfs/dbraw/zinc/55/51/88/775555188.db2.gz KIRTZEWCWDBFPT-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CC[N@@H+]1CCC[C@H](Oc2cc(C(C)=O)ccc2[N+](=O)[O-])C1 ZINC001225804752 775599074 /nfs/dbraw/zinc/59/90/74/775599074.db2.gz AVOUDNVWVSVXPI-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(C(C)=O)ccc2[N+](=O)[O-])C1 ZINC001225804752 775599079 /nfs/dbraw/zinc/59/90/79/775599079.db2.gz AVOUDNVWVSVXPI-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195934 775734592 /nfs/dbraw/zinc/73/45/92/775734592.db2.gz NEFBHVHEYVTKBN-MRVPVSSYSA-N 1 1 288.706 2.860 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270547 775763706 /nfs/dbraw/zinc/76/37/06/775763706.db2.gz SDHIOMSDYDFQNB-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301277 775772775 /nfs/dbraw/zinc/77/27/75/775772775.db2.gz IRWZGAKXDQPXQI-VIFPVBQESA-N 1 1 290.241 2.697 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001226446569 775825242 /nfs/dbraw/zinc/82/52/42/775825242.db2.gz NBJXNADDRGSRPX-CYBMUJFWSA-N 1 1 294.351 2.855 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226530099 775862723 /nfs/dbraw/zinc/86/27/23/775862723.db2.gz VCGFSPXYBLPWCH-CYBMUJFWSA-N 1 1 292.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743825 775944055 /nfs/dbraw/zinc/94/40/55/775944055.db2.gz IILQKFGOXUDPSA-JTQLQIEISA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810353 775972996 /nfs/dbraw/zinc/97/29/96/775972996.db2.gz MZTWRDBIODAMJQ-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810353 775973007 /nfs/dbraw/zinc/97/30/07/775973007.db2.gz MZTWRDBIODAMJQ-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226951145 776031674 /nfs/dbraw/zinc/03/16/74/776031674.db2.gz UAQMZEABUOKNKT-ZDUSSCGKSA-N 1 1 264.325 2.765 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2C)C1 ZINC001226991874 776053130 /nfs/dbraw/zinc/05/31/30/776053130.db2.gz GRECJUQYVISKBO-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001226995054 776054332 /nfs/dbraw/zinc/05/43/32/776054332.db2.gz KDJNRGODYSGWRK-IMRBUKKESA-N 1 1 276.336 2.907 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001227702374 776262214 /nfs/dbraw/zinc/26/22/14/776262214.db2.gz VWLRXIQDSLXBKJ-GFCCVEGCSA-N 1 1 294.351 2.855 20 5 CFBDMO C[N@H+]1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2)CC1 ZINC001222769200 776296769 /nfs/dbraw/zinc/29/67/69/776296769.db2.gz QRDCWWBWDRHIBU-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791065 776306041 /nfs/dbraw/zinc/30/60/41/776306041.db2.gz IMJGRZBBEYEIQS-OAHLLOKOSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791842 776307980 /nfs/dbraw/zinc/30/79/80/776307980.db2.gz XGRPKGYSRPPTSO-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228000516 776356265 /nfs/dbraw/zinc/35/62/65/776356265.db2.gz MBEOAPKJCWZPOZ-GFCCVEGCSA-N 1 1 282.727 2.721 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228001305 776356316 /nfs/dbraw/zinc/35/63/16/776356316.db2.gz WTHICZCKVPTVNQ-SECBINFHSA-N 1 1 293.710 2.839 20 5 CFBDMO C[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155517 776412389 /nfs/dbraw/zinc/41/23/89/776412389.db2.gz WXXFTKCZMLOBRO-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155517 776412395 /nfs/dbraw/zinc/41/23/95/776412395.db2.gz WXXFTKCZMLOBRO-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937498 776662869 /nfs/dbraw/zinc/66/28/69/776662869.db2.gz GFZWCUQDNWBYQL-JTQLQIEISA-N 1 1 299.758 2.895 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229915185 776917675 /nfs/dbraw/zinc/91/76/75/776917675.db2.gz LPCWUTSXJKSCBS-VIFPVBQESA-N 1 1 285.731 2.505 20 5 CFBDMO CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001230928949 777095453 /nfs/dbraw/zinc/09/54/53/777095453.db2.gz PEGSVQWAMSLNRN-SNVBAGLBSA-N 1 1 298.726 2.534 20 5 CFBDMO CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001230928949 777095455 /nfs/dbraw/zinc/09/54/55/777095455.db2.gz PEGSVQWAMSLNRN-SNVBAGLBSA-N 1 1 298.726 2.534 20 5 CFBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001231059585 777128559 /nfs/dbraw/zinc/12/85/59/777128559.db2.gz IXWUAINPAMDIDJ-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712526871 777338657 /nfs/dbraw/zinc/33/86/57/777338657.db2.gz FSRMTTPFSWCWLG-SNVBAGLBSA-N 1 1 269.732 2.754 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712526871 777338665 /nfs/dbraw/zinc/33/86/65/777338665.db2.gz FSRMTTPFSWCWLG-SNVBAGLBSA-N 1 1 269.732 2.754 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908083 777695656 /nfs/dbraw/zinc/69/56/56/777695656.db2.gz CBSYOWWMLCOEMT-QMMMGPOBSA-N 1 1 288.706 2.860 20 5 CFBDMO CC(=O)c1cc(O[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233501432 777970899 /nfs/dbraw/zinc/97/08/99/777970899.db2.gz MRIKWGLYYIKPFE-CYBMUJFWSA-N 1 1 292.335 2.659 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cc(F)cc1[N+](=O)[O-])C2 ZINC001233695136 778041948 /nfs/dbraw/zinc/04/19/48/778041948.db2.gz JLRBAUOJENQIEK-JGPRNRPPSA-N 1 1 298.289 2.877 20 5 CFBDMO Cc1cc(F)c(O[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001234061005 778155059 /nfs/dbraw/zinc/15/50/59/778155059.db2.gz SVMGXDZFQGSOEW-JTQLQIEISA-N 1 1 291.282 2.633 20 5 CFBDMO Cc1cc(F)c(O[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001234061006 778155400 /nfs/dbraw/zinc/15/54/00/778155400.db2.gz SVMGXDZFQGSOEW-SNVBAGLBSA-N 1 1 291.282 2.633 20 5 CFBDMO C[N@@H+]1CCc2c(NC[C@H]3C[C@H](F)C3)ccc([N+](=O)[O-])c2C1 ZINC001168238747 778264711 /nfs/dbraw/zinc/26/47/11/778264711.db2.gz RVYZYEGRPVVNOR-XYPYZODXSA-N 1 1 293.342 2.743 20 5 CFBDMO C[N@H+]1CCc2c(NC[C@H]3C[C@H](F)C3)ccc([N+](=O)[O-])c2C1 ZINC001168238747 778264714 /nfs/dbraw/zinc/26/47/14/778264714.db2.gz RVYZYEGRPVVNOR-XYPYZODXSA-N 1 1 293.342 2.743 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000138949306 778902684 /nfs/dbraw/zinc/90/26/84/778902684.db2.gz GLPDZZHRXZKRBU-ZJUUUORDSA-N 1 1 260.297 2.730 20 5 CFBDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000691315052 779867311 /nfs/dbraw/zinc/86/73/11/779867311.db2.gz RNGDGHXSCMWYOP-SECBINFHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000700376491 780683827 /nfs/dbraw/zinc/68/38/27/780683827.db2.gz MESHQVQEMLQWLW-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000700376491 780683829 /nfs/dbraw/zinc/68/38/29/780683829.db2.gz MESHQVQEMLQWLW-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc[nH+]c1C1CC1 ZINC000704134011 781091470 /nfs/dbraw/zinc/09/14/70/781091470.db2.gz XLJCGNREHIRJTA-UHFFFAOYSA-N 1 1 261.256 2.856 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000710153476 781329447 /nfs/dbraw/zinc/32/94/47/781329447.db2.gz KKPGUAHCEMWCCD-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594597069 349455934 /nfs/dbraw/zinc/45/59/34/349455934.db2.gz CESJRXTZWVYGDW-STQMWFEESA-N 1 1 290.367 2.727 20 5 CFBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000594962858 349531990 /nfs/dbraw/zinc/53/19/90/349531990.db2.gz LYWKEHGLVIFSOB-NSHDSACASA-N 1 1 283.397 2.619 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000594962858 349531993 /nfs/dbraw/zinc/53/19/93/349531993.db2.gz LYWKEHGLVIFSOB-NSHDSACASA-N 1 1 283.397 2.619 20 5 CFBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000594962857 349532387 /nfs/dbraw/zinc/53/23/87/349532387.db2.gz LYWKEHGLVIFSOB-LLVKDONJSA-N 1 1 283.397 2.619 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000594962857 349532392 /nfs/dbraw/zinc/53/23/92/349532392.db2.gz LYWKEHGLVIFSOB-LLVKDONJSA-N 1 1 283.397 2.619 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000595000459 349543108 /nfs/dbraw/zinc/54/31/08/349543108.db2.gz JMGNIZOOWABBGC-UHFFFAOYSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCN(C)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000595000459 349543111 /nfs/dbraw/zinc/54/31/11/349543111.db2.gz JMGNIZOOWABBGC-UHFFFAOYSA-N 1 1 279.384 2.805 20 5 CFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595310767 349599603 /nfs/dbraw/zinc/59/96/03/349599603.db2.gz FJCCFUDTRIWYAS-UHFFFAOYSA-N 1 1 298.358 2.964 20 5 CFBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335218 349604176 /nfs/dbraw/zinc/60/41/76/349604176.db2.gz SOUJIFOCTQFHQC-FZMZJTMJSA-N 1 1 297.355 2.527 20 5 CFBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335218 349604178 /nfs/dbraw/zinc/60/41/78/349604178.db2.gz SOUJIFOCTQFHQC-FZMZJTMJSA-N 1 1 297.355 2.527 20 5 CFBDMO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595290947 349592697 /nfs/dbraw/zinc/59/26/97/349592697.db2.gz OECSZUQNCLOHJM-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595340055 349605014 /nfs/dbraw/zinc/60/50/14/349605014.db2.gz UQWLPPMDFNDUAM-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO CC1=CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595394027 349615229 /nfs/dbraw/zinc/61/52/29/349615229.db2.gz USLOOYKJGSHKQD-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC1=CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595394027 349615230 /nfs/dbraw/zinc/61/52/30/349615230.db2.gz USLOOYKJGSHKQD-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO Cc1noc(C[N@@H+](C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000595424412 349621497 /nfs/dbraw/zinc/62/14/97/349621497.db2.gz IEJMXIWQBPQFBJ-NSHDSACASA-N 1 1 265.313 2.679 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294972924 199277210 /nfs/dbraw/zinc/27/72/10/199277210.db2.gz JFTOKYOUWPMQAU-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660848 190530209 /nfs/dbraw/zinc/53/02/09/190530209.db2.gz QJDZLZBOOYANKG-BXUZGUMPSA-N 1 1 266.341 2.606 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473218 349637513 /nfs/dbraw/zinc/63/75/13/349637513.db2.gz UYCPWBASKOPCAP-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473218 349637516 /nfs/dbraw/zinc/63/75/16/349637516.db2.gz UYCPWBASKOPCAP-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473217 349637815 /nfs/dbraw/zinc/63/78/15/349637815.db2.gz UYCPWBASKOPCAP-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473217 349637818 /nfs/dbraw/zinc/63/78/18/349637818.db2.gz UYCPWBASKOPCAP-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(N)c1 ZINC000595477194 349638430 /nfs/dbraw/zinc/63/84/30/349638430.db2.gz RTFYOLQCDDPWAI-UHFFFAOYSA-N 1 1 285.347 2.852 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000595522792 349650116 /nfs/dbraw/zinc/65/01/16/349650116.db2.gz NTYYUXNDQKSJEM-OXJKWZBOSA-N 1 1 291.351 2.759 20 5 CFBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595508422 349645837 /nfs/dbraw/zinc/64/58/37/349645837.db2.gz XMRTVXNQUKGHEX-INIZCTEOSA-N 1 1 289.379 2.513 20 5 CFBDMO CCC(CC)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000177863582 282184813 /nfs/dbraw/zinc/18/48/13/282184813.db2.gz RGBIPECBUZYKLF-UHFFFAOYSA-N 1 1 282.388 2.938 20 5 CFBDMO CCC(CC)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000177864083 282184948 /nfs/dbraw/zinc/18/49/48/282184948.db2.gz RYZNCCPPBNDVON-UHFFFAOYSA-N 1 1 282.388 2.938 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595688927 349701454 /nfs/dbraw/zinc/70/14/54/349701454.db2.gz KTUYIOWWBLVVLL-IYBDPMFKSA-N 1 1 290.363 2.762 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670680 349695940 /nfs/dbraw/zinc/69/59/40/349695940.db2.gz IFPCCFIVJYJFNP-JSGCOSHPSA-N 1 1 278.352 2.578 20 5 CFBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000126009685 187210867 /nfs/dbraw/zinc/21/08/67/187210867.db2.gz PUOMAIGVDOBXJS-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CCO ZINC000595696331 349705999 /nfs/dbraw/zinc/70/59/99/349705999.db2.gz KCBSIRGHKPAPRF-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000595747681 349721404 /nfs/dbraw/zinc/72/14/04/349721404.db2.gz BQBUULBAVAZPSG-UHFFFAOYSA-N 1 1 294.399 2.940 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595749827 349723101 /nfs/dbraw/zinc/72/31/01/349723101.db2.gz LMIPFOXQSOHBAI-ZAZJYDDPSA-N 1 1 278.352 2.605 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755864 349724982 /nfs/dbraw/zinc/72/49/82/349724982.db2.gz DWYJOWYQYNRDQF-XUJVJEKNSA-N 1 1 276.336 2.624 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809587 349736713 /nfs/dbraw/zinc/73/67/13/349736713.db2.gz HNFDUCQARIQNAB-MWLCHTKSSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809587 349736716 /nfs/dbraw/zinc/73/67/16/349736716.db2.gz HNFDUCQARIQNAB-MWLCHTKSSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000595808063 349736960 /nfs/dbraw/zinc/73/69/60/349736960.db2.gz KXCKLVJXPARMEJ-NXEZZACHSA-N 1 1 273.292 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760150 349726122 /nfs/dbraw/zinc/72/61/22/349726122.db2.gz SDRCWVWUFUAJOW-ZENOOKHLSA-N 1 1 290.363 2.933 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595833756 349747108 /nfs/dbraw/zinc/74/71/08/349747108.db2.gz LYGHJRCNNDZWNZ-GFCCVEGCSA-N 1 1 279.340 2.903 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835047 349747455 /nfs/dbraw/zinc/74/74/55/349747455.db2.gz UIWJOFUDXVFBGO-RYUDHWBXSA-N 1 1 296.754 2.717 20 5 CFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697721 346936456 /nfs/dbraw/zinc/93/64/56/346936456.db2.gz AFWKYNZOQIKRMK-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC(C)(C)C1 ZINC000072827421 346942346 /nfs/dbraw/zinc/94/23/46/346942346.db2.gz NJQPHCZWERSYST-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295018413 199302023 /nfs/dbraw/zinc/30/20/23/199302023.db2.gz KIXRDWORONILJV-NSHDSACASA-N 1 1 252.339 2.532 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169187 349816182 /nfs/dbraw/zinc/81/61/82/349816182.db2.gz SCVGALNUMNAWFF-VXGBXAGGSA-N 1 1 295.408 2.885 20 5 CFBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000596269566 349848873 /nfs/dbraw/zinc/84/88/73/349848873.db2.gz TZXFDPKHBKYJNF-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596337424 349869283 /nfs/dbraw/zinc/86/92/83/349869283.db2.gz XBWTUPKKTMJUCX-SNVBAGLBSA-N 1 1 298.774 2.928 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074748668 347030346 /nfs/dbraw/zinc/03/03/46/347030346.db2.gz BEICHDAFJZUBIX-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000596544101 349937405 /nfs/dbraw/zinc/93/74/05/349937405.db2.gz XVSHNJPSZXJEFS-UHFFFAOYSA-N 1 1 280.372 2.831 20 5 CFBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570695 349944443 /nfs/dbraw/zinc/94/44/43/349944443.db2.gz MVXGMKRDGOVLGF-CYBMUJFWSA-N 1 1 290.367 2.524 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295133127 199363116 /nfs/dbraw/zinc/36/31/16/199363116.db2.gz OVRKHBXJCCXGJA-YERXGYGTSA-N 1 1 290.363 2.966 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026159278 346264244 /nfs/dbraw/zinc/26/42/44/346264244.db2.gz SMZNJBACUMUFCM-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO 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GIONOPWWYDWBLQ-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066811138 346780762 /nfs/dbraw/zinc/78/07/62/346780762.db2.gz LHCKDDVOIHHXQW-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@@H+](CCNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000066810333 346780786 /nfs/dbraw/zinc/78/07/86/346780786.db2.gz QKWOMRYAGRARIC-UHFFFAOYSA-N 1 1 286.335 2.534 20 5 CFBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891724 347106030 /nfs/dbraw/zinc/10/60/30/347106030.db2.gz XMSJJWKRJGYISX-TXEJJXNPSA-N 1 1 296.392 2.799 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000075895072 347106873 /nfs/dbraw/zinc/10/68/73/347106873.db2.gz KVWBUTJARJMJRW-PHIMTYICSA-N 1 1 266.366 2.921 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076400044 347137053 /nfs/dbraw/zinc/13/70/53/347137053.db2.gz ITTGFXFDIXOFBK-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000076157843 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ZINC000602881375 351056431 /nfs/dbraw/zinc/05/64/31/351056431.db2.gz PYEJQRTWIBHDCO-HNNXBMFYSA-N 1 1 286.335 2.963 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000602881375 351056435 /nfs/dbraw/zinc/05/64/35/351056435.db2.gz PYEJQRTWIBHDCO-HNNXBMFYSA-N 1 1 286.335 2.963 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC(C)(C)CO1 ZINC000602758941 351015129 /nfs/dbraw/zinc/01/51/29/351015129.db2.gz KBOBICQDCGCFCU-CYBMUJFWSA-N 1 1 278.352 2.842 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC(C)(C)CO1 ZINC000602758941 351015132 /nfs/dbraw/zinc/01/51/32/351015132.db2.gz KBOBICQDCGCFCU-CYBMUJFWSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997048 351088501 /nfs/dbraw/zinc/08/85/01/351088501.db2.gz BESQLPADJXSFJO-BPUTZDHNSA-N 1 1 290.363 2.720 20 5 CFBDMO Cn1cc(C[N@H+]2CC[C@@]2(C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000603029250 351091867 /nfs/dbraw/zinc/09/18/67/351091867.db2.gz METDJQLNMYOBAE-HNNXBMFYSA-N 1 1 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CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181484114 380803966 /nfs/dbraw/zinc/80/39/66/380803966.db2.gz PEDSAHCEQIOEDB-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000353783459 380850364 /nfs/dbraw/zinc/85/03/64/380850364.db2.gz XGPOHJLTJRFHIS-JTQLQIEISA-N 1 1 272.370 2.902 20 5 CFBDMO CC1(C)CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408335490 380922508 /nfs/dbraw/zinc/92/25/08/380922508.db2.gz VKCHZIQPEHHPSW-OAHLLOKOSA-N 1 1 290.363 2.911 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368484481 381039985 /nfs/dbraw/zinc/03/99/85/381039985.db2.gz YTJKNOSFQDLPKK-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295795031 381080404 /nfs/dbraw/zinc/08/04/04/381080404.db2.gz BVSJSSXFQHADCX-BXUZGUMPSA-N 1 1 288.351 2.806 20 5 CFBDMO COCCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347350351 381090396 /nfs/dbraw/zinc/09/03/96/381090396.db2.gz AKGHPJGZWWZMSX-RAXLEYEMSA-N 1 1 278.352 2.966 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+](C)CC1 ZINC000347335558 381077986 /nfs/dbraw/zinc/07/79/86/381077986.db2.gz KLQLBGGFRCKWDC-SDNWHVSQSA-N 1 1 289.379 2.636 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C)CC1 ZINC000347335558 381077991 /nfs/dbraw/zinc/07/79/91/381077991.db2.gz KLQLBGGFRCKWDC-SDNWHVSQSA-N 1 1 289.379 2.636 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C)CC1 ZINC000347335558 381078001 /nfs/dbraw/zinc/07/80/01/381078001.db2.gz KLQLBGGFRCKWDC-SDNWHVSQSA-N 1 1 289.379 2.636 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077336 381146675 /nfs/dbraw/zinc/14/66/75/381146675.db2.gz JWKJJVNUZRBHRI-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000182642811 381126904 /nfs/dbraw/zinc/12/69/04/381126904.db2.gz GGLJQNNCCNWLBM-NSHDSACASA-N 1 1 294.351 2.677 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000359085849 381256909 /nfs/dbraw/zinc/25/69/09/381256909.db2.gz UGKNXQVSNBULQF-OLZOCXBDSA-N 1 1 290.367 2.645 20 5 CFBDMO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342306040 381264465 /nfs/dbraw/zinc/26/44/65/381264465.db2.gz RJRBUROPSFFNOU-LLVKDONJSA-N 1 1 293.367 2.550 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369467100 381266770 /nfs/dbraw/zinc/26/67/70/381266770.db2.gz LETOEIXJLXAWCW-CABCVRRESA-N 1 1 276.336 2.738 20 5 CFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000369348853 381241090 /nfs/dbraw/zinc/24/10/90/381241090.db2.gz KKSFDLISROWKHF-LBPRGKRZSA-N 1 1 286.335 2.712 20 5 CFBDMO CS[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296199997 381299205 /nfs/dbraw/zinc/29/92/05/381299205.db2.gz JFWUTGMQRPWVPY-AWEZNQCLSA-N 1 1 296.392 2.801 20 5 CFBDMO CO[C@@H](C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354458203 381282880 /nfs/dbraw/zinc/28/28/80/381282880.db2.gz PCIDPNYXFMYVLU-ZDUSSCGKSA-N 1 1 296.367 2.719 20 5 CFBDMO CCC[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000161216872 322348645 /nfs/dbraw/zinc/34/86/45/322348645.db2.gz BKXOXOYJTCYCSU-UHFFFAOYSA-N 1 1 280.368 2.923 20 5 CFBDMO CC(=O)c1cc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290567352 381482443 /nfs/dbraw/zinc/48/24/43/381482443.db2.gz AVIOQPCPMUXREQ-LLVKDONJSA-N 1 1 293.367 2.938 20 5 CFBDMO COc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000290621253 381502150 /nfs/dbraw/zinc/50/21/50/381502150.db2.gz GKYBSGZITQDERK-SNVBAGLBSA-N 1 1 299.346 2.883 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185232326 381572590 /nfs/dbraw/zinc/57/25/90/381572590.db2.gz KCQYOHRCEJKZMG-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)F ZINC000298016069 381577602 /nfs/dbraw/zinc/57/76/02/381577602.db2.gz CWTAPYYINDOYLN-SECBINFHSA-N 1 1 258.268 2.771 20 5 CFBDMO C[C@H]1[C@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000342828049 381571824 /nfs/dbraw/zinc/57/18/24/381571824.db2.gz AQDBRSOFHLATJS-GXSJLCMTSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332753 381593191 /nfs/dbraw/zinc/59/31/91/381593191.db2.gz RKLQAIKHWKZKHC-HUUCEWRRSA-N 1 1 290.363 2.762 20 5 CFBDMO C[C@H](CN)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414925460 381612937 /nfs/dbraw/zinc/61/29/37/381612937.db2.gz HZMDLYKJPTYLPB-SNVBAGLBSA-N 1 1 291.376 2.760 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185399782 381622278 /nfs/dbraw/zinc/62/22/78/381622278.db2.gz JBQNLZOKMJVHNP-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC23CCC(CO)CC3)cs1 ZINC000371477858 381638790 /nfs/dbraw/zinc/63/87/90/381638790.db2.gz QEPKYGUJFRSTIB-UHFFFAOYSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCC(CO)CC3)cs1 ZINC000371477858 381638795 /nfs/dbraw/zinc/63/87/95/381638795.db2.gz QEPKYGUJFRSTIB-UHFFFAOYSA-N 1 1 296.392 2.783 20 5 CFBDMO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348705732 381675803 /nfs/dbraw/zinc/67/58/03/381675803.db2.gz GHYIVJSERFIWBU-GFCCVEGCSA-N 1 1 280.368 2.921 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000291150679 381684550 /nfs/dbraw/zinc/68/45/50/381684550.db2.gz OZGWOHXFBYCDSC-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO CCCCCNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000298906781 381778875 /nfs/dbraw/zinc/77/88/75/381778875.db2.gz MVOTXTPMQFRRDZ-GFCCVEGCSA-N 1 1 293.367 2.552 20 5 CFBDMO COc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361409088 381827395 /nfs/dbraw/zinc/82/73/95/381827395.db2.gz SQKHPAJVBURHJW-ZDUSSCGKSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1F ZINC000292773043 381828835 /nfs/dbraw/zinc/82/88/35/381828835.db2.gz PIAXJYVEARUPDZ-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343616688 381844233 /nfs/dbraw/zinc/84/42/33/381844233.db2.gz ZNCPDKOHBQUTKK-CABZTGNLSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1nocc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000293133983 382001932 /nfs/dbraw/zinc/00/19/32/382001932.db2.gz CFXQMQKKZBLUFQ-JTQLQIEISA-N 1 1 261.281 2.742 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000373468834 382011815 /nfs/dbraw/zinc/01/18/15/382011815.db2.gz WQSGQWZSJQKLAT-JTQLQIEISA-N 1 1 296.754 2.717 20 5 CFBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000293063962 381975695 /nfs/dbraw/zinc/97/56/95/381975695.db2.gz IPYQJDKVFQYPFI-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000293063962 381975699 /nfs/dbraw/zinc/97/56/99/381975699.db2.gz IPYQJDKVFQYPFI-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000374874124 382059407 /nfs/dbraw/zinc/05/94/07/382059407.db2.gz JSFBFKGPNOIPSR-WCQYABFASA-N 1 1 278.352 2.933 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186993342 382070891 /nfs/dbraw/zinc/07/08/91/382070891.db2.gz NKRUQRXKHFHQEQ-UHFFFAOYSA-N 1 1 276.336 2.850 20 5 CFBDMO Cc1ccnc(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301260604 382126887 /nfs/dbraw/zinc/12/68/87/382126887.db2.gz FJNAFCBDGGGLQP-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000344135430 382151537 /nfs/dbraw/zinc/15/15/37/382151537.db2.gz GHPCTQHCQDIGBQ-UHFFFAOYSA-N 1 1 279.727 2.877 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352203057 382224207 /nfs/dbraw/zinc/22/42/07/382224207.db2.gz OQBGCTMCNUDNKA-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(OC)C1 ZINC000352222882 382232180 /nfs/dbraw/zinc/23/21/80/382232180.db2.gz SRFYFJFQXYAMQC-UHFFFAOYSA-N 1 1 294.351 2.603 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419331675 382289186 /nfs/dbraw/zinc/28/91/86/382289186.db2.gz JNZUHRJJHFLOLW-ZIAGYGMSSA-N 1 1 294.399 2.938 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377329324 382253840 /nfs/dbraw/zinc/25/38/40/382253840.db2.gz GPKSCANRTCUBLG-VIFPVBQESA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377329324 382253847 /nfs/dbraw/zinc/25/38/47/382253847.db2.gz GPKSCANRTCUBLG-VIFPVBQESA-N 1 1 292.726 2.941 20 5 CFBDMO COc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000352268086 382255283 /nfs/dbraw/zinc/25/52/83/382255283.db2.gz XQGTVOCUNSYVQQ-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO C[N@@H+](CCOCC1CCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000419267141 382265148 /nfs/dbraw/zinc/26/51/48/382265148.db2.gz ILLPXZGLIATUEA-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000352414612 382318702 /nfs/dbraw/zinc/31/87/02/382318702.db2.gz UMSIPRIPIVJIHE-KGLIPLIRSA-N 1 1 298.289 2.530 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302822263 382326687 /nfs/dbraw/zinc/32/66/87/382326687.db2.gz SDGLHAVPXDQQOO-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](CCO)CC1CC1 ZINC000352450543 382338407 /nfs/dbraw/zinc/33/84/07/382338407.db2.gz RJELIYROLWOHIH-LBPRGKRZSA-N 1 1 278.352 2.669 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364618592 382340220 /nfs/dbraw/zinc/34/02/20/382340220.db2.gz DAXGUTROPDLCIF-BPLDGKMQSA-N 1 1 290.363 2.840 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352545811 382390148 /nfs/dbraw/zinc/39/01/48/382390148.db2.gz MADUMYKOWQFAMW-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO COC(C)(C)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346513550 382392193 /nfs/dbraw/zinc/39/21/93/382392193.db2.gz XNMCZVZGSRQATJ-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352628072 382423596 /nfs/dbraw/zinc/42/35/96/382423596.db2.gz IGDDIVBXUWGVAL-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294160592 382439429 /nfs/dbraw/zinc/43/94/29/382439429.db2.gz AXWAOMWPDGMUMO-JTQLQIEISA-N 1 1 270.329 2.671 20 5 CFBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308638612 382482340 /nfs/dbraw/zinc/48/23/40/382482340.db2.gz VFFPTPAPBHBGKN-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ncccc2C1 ZINC000366398537 382504054 /nfs/dbraw/zinc/50/40/54/382504054.db2.gz CCIUSIKJWZLZLA-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ncccc2C1 ZINC000366398537 382504058 /nfs/dbraw/zinc/50/40/58/382504058.db2.gz CCIUSIKJWZLZLA-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384295853 382551960 /nfs/dbraw/zinc/55/19/60/382551960.db2.gz XGADTZHCDNDCRS-VIFPVBQESA-N 1 1 292.364 2.914 20 5 CFBDMO C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358394265 382599371 /nfs/dbraw/zinc/59/93/71/382599371.db2.gz GSFCPRUEGGWKRH-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000353735275 382620680 /nfs/dbraw/zinc/62/06/80/382620680.db2.gz DALFQAYOXUXDGE-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353743221 382622804 /nfs/dbraw/zinc/62/28/04/382622804.db2.gz BPOFHFOQXUYDQP-DZGCQCFKSA-N 1 1 291.395 2.899 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749328 382625095 /nfs/dbraw/zinc/62/50/95/382625095.db2.gz FNUGVCIVIZVUHJ-GHMZBOCLSA-N 1 1 294.351 2.842 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749331 382625183 /nfs/dbraw/zinc/62/51/83/382625183.db2.gz FNUGVCIVIZVUHJ-WDEREUQCSA-N 1 1 294.351 2.842 20 5 CFBDMO CCOCCOCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190255318 382659196 /nfs/dbraw/zinc/65/91/96/382659196.db2.gz HECKLRUIZPNKSB-CYBMUJFWSA-N 1 1 296.367 2.641 20 5 CFBDMO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191176786 382694475 /nfs/dbraw/zinc/69/44/75/382694475.db2.gz OIZYFOAYNDHTDF-HWYHXSKPSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191176786 382694477 /nfs/dbraw/zinc/69/44/77/382694477.db2.gz OIZYFOAYNDHTDF-HWYHXSKPSA-N 1 1 298.770 2.982 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000192469500 382709306 /nfs/dbraw/zinc/70/93/06/382709306.db2.gz IMUUGTPXMNZAOO-LLVKDONJSA-N 1 1 296.396 2.728 20 5 CFBDMO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193941683 382730258 /nfs/dbraw/zinc/73/02/58/382730258.db2.gz KEQDYTPRTCQZSD-UHFFFAOYSA-N 1 1 279.296 2.735 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193941683 382730260 /nfs/dbraw/zinc/73/02/60/382730260.db2.gz KEQDYTPRTCQZSD-UHFFFAOYSA-N 1 1 279.296 2.735 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000575997110 382806772 /nfs/dbraw/zinc/80/67/72/382806772.db2.gz QWTIHNHCKJIRLB-JTQLQIEISA-N 1 1 298.362 2.848 20 5 CFBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227651060 382839056 /nfs/dbraw/zinc/83/90/56/382839056.db2.gz JSDIJUUWHQGVMW-UHFFFAOYSA-N 1 1 284.747 2.539 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227857615 382841541 /nfs/dbraw/zinc/84/15/41/382841541.db2.gz DTBBATHAHXMWEV-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889551 382842160 /nfs/dbraw/zinc/84/21/60/382842160.db2.gz OGCIVEZZRKZGPK-UHFFFAOYSA-N 1 1 273.283 2.625 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000230379246 382860786 /nfs/dbraw/zinc/86/07/86/382860786.db2.gz UHMRLTJMNOVZQG-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000337952638 382878556 /nfs/dbraw/zinc/87/85/56/382878556.db2.gz ZMFPNGIWKWMKMB-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224402 382972614 /nfs/dbraw/zinc/97/26/14/382972614.db2.gz MLVAWHUOWABFCK-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCOC1 ZINC000245532483 383004835 /nfs/dbraw/zinc/00/48/35/383004835.db2.gz URHFJBCAUGYNAN-QWHCGFSZSA-N 1 1 278.352 2.933 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC000338711333 383029360 /nfs/dbraw/zinc/02/93/60/383029360.db2.gz JLBPRUDFHNZINL-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423369103 383067836 /nfs/dbraw/zinc/06/78/36/383067836.db2.gz SIZZCHLKOCXBFM-HIFRSBDPSA-N 1 1 277.368 2.778 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000447903691 383027719 /nfs/dbraw/zinc/02/77/19/383027719.db2.gz NZRNGCBWXGFMIF-GFCCVEGCSA-N 1 1 297.424 2.866 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000447903691 383027725 /nfs/dbraw/zinc/02/77/25/383027725.db2.gz NZRNGCBWXGFMIF-GFCCVEGCSA-N 1 1 297.424 2.866 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@H](C)[NH3+] ZINC000423446073 383098922 /nfs/dbraw/zinc/09/89/22/383098922.db2.gz NQLLKSJJIQHDSP-SDDRHHMPSA-N 1 1 297.424 2.791 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)N ZINC000423446073 383098925 /nfs/dbraw/zinc/09/89/25/383098925.db2.gz NQLLKSJJIQHDSP-SDDRHHMPSA-N 1 1 297.424 2.791 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449492318 383330328 /nfs/dbraw/zinc/33/03/28/383330328.db2.gz IZRGYUVKTFXKER-SWLSCSKDSA-N 1 1 278.352 2.842 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449492316 383330801 /nfs/dbraw/zinc/33/08/01/383330801.db2.gz IZRGYUVKTFXKER-IUODEOHRSA-N 1 1 278.352 2.842 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449494444 383331606 /nfs/dbraw/zinc/33/16/06/383331606.db2.gz NBCBGCYHGRLHFT-PWSUYJOCSA-N 1 1 284.381 2.903 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449494444 383331608 /nfs/dbraw/zinc/33/16/08/383331608.db2.gz NBCBGCYHGRLHFT-PWSUYJOCSA-N 1 1 284.381 2.903 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449502555 383339021 /nfs/dbraw/zinc/33/90/21/383339021.db2.gz OSGQDAVYNGLFNG-WFASDCNBSA-N 1 1 278.352 2.760 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449503355 383340327 /nfs/dbraw/zinc/34/03/27/383340327.db2.gz PLAHQNNGNVLIDH-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449504618 383341583 /nfs/dbraw/zinc/34/15/83/383341583.db2.gz QUCSNAMZISBGAC-ABAIWWIYSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449506688 383342270 /nfs/dbraw/zinc/34/22/70/383342270.db2.gz ZKIJESWVNZDLCR-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827254 383346422 /nfs/dbraw/zinc/34/64/22/383346422.db2.gz UWUSYFFMJCWPCL-TVQRCGJNSA-N 1 1 279.315 2.629 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252673151 383426014 /nfs/dbraw/zinc/42/60/14/383426014.db2.gz GTGYSTNKGVWSMT-OCCSQVGLSA-N 1 1 261.325 2.634 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000569279099 383483637 /nfs/dbraw/zinc/48/36/37/383483637.db2.gz QWTIHNHCKJIRLB-SNVBAGLBSA-N 1 1 298.362 2.848 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000255024702 383474075 /nfs/dbraw/zinc/47/40/75/383474075.db2.gz YNCCAVMSIWKZJZ-RYWCDNDXSA-N 1 1 276.336 2.576 20 5 CFBDMO CC[NH2+]CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000261617321 383529982 /nfs/dbraw/zinc/52/99/82/383529982.db2.gz FZJLXPFRAGITPQ-UHFFFAOYSA-N 1 1 295.358 2.555 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000451380819 383603551 /nfs/dbraw/zinc/60/35/51/383603551.db2.gz SXUBKCCLWUDGHK-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCO3)C2)cc1 ZINC000451551233 383643613 /nfs/dbraw/zinc/64/36/13/383643613.db2.gz TYPVIVGLQOIQBN-GOEBONIOSA-N 1 1 290.363 2.953 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCCCO)C2)cc1 ZINC000451550900 383643957 /nfs/dbraw/zinc/64/39/57/383643957.db2.gz SWIDGQQYBDEGCI-HNNXBMFYSA-N 1 1 292.379 2.937 20 5 CFBDMO CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553595 383645478 /nfs/dbraw/zinc/64/54/78/383645478.db2.gz YAXNKQKNHVDFRL-ZBFHGGJFSA-N 1 1 292.379 2.791 20 5 CFBDMO CC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)COC1 ZINC000490052628 383649810 /nfs/dbraw/zinc/64/98/10/383649810.db2.gz GGYUPMQTBVMYMI-UHFFFAOYSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489472049 383621967 /nfs/dbraw/zinc/62/19/67/383621967.db2.gz BRRBLOVPXBCIHW-LBPRGKRZSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489472049 383621969 /nfs/dbraw/zinc/62/19/69/383621969.db2.gz BRRBLOVPXBCIHW-LBPRGKRZSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983670 383953496 /nfs/dbraw/zinc/95/34/96/383953496.db2.gz SMVJGUWVZZKOPH-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983670 383953501 /nfs/dbraw/zinc/95/35/01/383953501.db2.gz SMVJGUWVZZKOPH-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000532549491 384046416 /nfs/dbraw/zinc/04/64/16/384046416.db2.gz KPDINXYACCAOHN-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277440157 384303249 /nfs/dbraw/zinc/30/32/49/384303249.db2.gz DUYNUIBUHUPGTC-HNNXBMFYSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277440157 384303256 /nfs/dbraw/zinc/30/32/56/384303256.db2.gz DUYNUIBUHUPGTC-HNNXBMFYSA-N 1 1 289.379 2.701 20 5 CFBDMO Cc1nc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000277542831 384331443 /nfs/dbraw/zinc/33/14/43/384331443.db2.gz WZNWNCQTXWJBNL-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000277823371 384416562 /nfs/dbraw/zinc/41/65/62/384416562.db2.gz RBHUWYHYFBCDFP-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000343955240 220280022 /nfs/dbraw/zinc/28/00/22/220280022.db2.gz KUZLPHZEVGJRAB-GFCCVEGCSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1c([C@H](C)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000348330126 220291434 /nfs/dbraw/zinc/29/14/34/220291434.db2.gz HIQXVBQEDRWVKE-PWSUYJOCSA-N 1 1 265.357 2.504 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000355141879 285112608 /nfs/dbraw/zinc/11/26/08/285112608.db2.gz YSRRSTIFYQPXCK-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279385997 384622265 /nfs/dbraw/zinc/62/22/65/384622265.db2.gz TYBPNRXPJBCYBO-XHDPSFHLSA-N 1 1 276.336 2.594 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279385997 384622276 /nfs/dbraw/zinc/62/22/76/384622276.db2.gz TYBPNRXPJBCYBO-XHDPSFHLSA-N 1 1 276.336 2.594 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000268974761 384706561 /nfs/dbraw/zinc/70/65/61/384706561.db2.gz JARPWCZFFLGIBQ-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000268974761 384706568 /nfs/dbraw/zinc/70/65/68/384706568.db2.gz JARPWCZFFLGIBQ-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO CC(C)(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000279663410 384714255 /nfs/dbraw/zinc/71/42/55/384714255.db2.gz CVBYKROPIDXESN-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000279663410 384714262 /nfs/dbraw/zinc/71/42/62/384714262.db2.gz CVBYKROPIDXESN-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739330 384743016 /nfs/dbraw/zinc/74/30/16/384743016.db2.gz KKPUWBVDDFEMGF-YPMHNXCESA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269674925 384829795 /nfs/dbraw/zinc/82/97/95/384829795.db2.gz VZGFXAWJLHNWRD-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000280719093 385126168 /nfs/dbraw/zinc/12/61/68/385126168.db2.gz FMQAYVVPASLLBE-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000280719093 385126179 /nfs/dbraw/zinc/12/61/79/385126179.db2.gz FMQAYVVPASLLBE-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000289093927 197232858 /nfs/dbraw/zinc/23/28/58/197232858.db2.gz OZGWOHXFBYCDSC-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO C[C@@H](c1cnccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282405243 385302644 /nfs/dbraw/zinc/30/26/44/385302644.db2.gz IDGBFFXZWOZKNB-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO Cc1cncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282419918 385306251 /nfs/dbraw/zinc/30/62/51/385306251.db2.gz JHXJGOXUPIJQLQ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1nnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400637 385300707 /nfs/dbraw/zinc/30/07/07/385300707.db2.gz HRLPNUXLZQTADG-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1nnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400637 385300710 /nfs/dbraw/zinc/30/07/10/385300710.db2.gz HRLPNUXLZQTADG-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO O=[N+]([O-])c1ccccc1Cn1c[nH+]c2c1CCCC2 ZINC000130466739 285162495 /nfs/dbraw/zinc/16/24/95/285162495.db2.gz ZYHPJKDYUAYNRD-UHFFFAOYSA-N 1 1 257.293 2.718 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272215440 385476819 /nfs/dbraw/zinc/47/68/19/385476819.db2.gz QZQYNXRBEOSOIH-YGRLFVJLSA-N 1 1 295.770 2.779 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC000272262119 385491727 /nfs/dbraw/zinc/49/17/27/385491727.db2.gz BUAIHJLMYVFXBI-OLZOCXBDSA-N 1 1 278.352 2.669 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000272516010 385556566 /nfs/dbraw/zinc/55/65/66/385556566.db2.gz KTVYHQJLARRWNL-UKRRQHHQSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286181737 385567553 /nfs/dbraw/zinc/56/75/53/385567553.db2.gz ZHJCRYJEJYLHND-QMMMGPOBSA-N 1 1 256.252 2.715 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286181737 385567555 /nfs/dbraw/zinc/56/75/55/385567555.db2.gz ZHJCRYJEJYLHND-QMMMGPOBSA-N 1 1 256.252 2.715 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272583356 385568594 /nfs/dbraw/zinc/56/85/94/385568594.db2.gz SBQVIFLYRGZAFL-DZGCQCFKSA-N 1 1 278.352 2.578 20 5 CFBDMO CCOC1CC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000286720558 385695570 /nfs/dbraw/zinc/69/55/70/385695570.db2.gz GGMBFCITRMPLHE-UHFFFAOYSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NCC1=CC[N@@H+](C)CC1 ZINC000274011104 385698572 /nfs/dbraw/zinc/69/85/72/385698572.db2.gz UZSIGLUYMFSTDR-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271186 195174787 /nfs/dbraw/zinc/17/47/87/195174787.db2.gz NUJWWAQPQVSJQS-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253602 533411856 /nfs/dbraw/zinc/41/18/56/533411856.db2.gz ZCEWJQRILJYFBI-MLGOLLRUSA-N 1 1 285.347 2.945 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245285 533412172 /nfs/dbraw/zinc/41/21/72/533412172.db2.gz OLQWOYHBAFKBKV-MLGOLLRUSA-N 1 1 285.347 2.945 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342039556 130253041 /nfs/dbraw/zinc/25/30/41/130253041.db2.gz WARLABQLPQAULF-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342039556 130253044 /nfs/dbraw/zinc/25/30/44/130253044.db2.gz WARLABQLPQAULF-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301473163 393472395 /nfs/dbraw/zinc/47/23/95/393472395.db2.gz QQIDOISCICRHOP-ZDUSSCGKSA-N 1 1 277.368 2.763 20 5 CFBDMO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330504965 393553056 /nfs/dbraw/zinc/55/30/56/393553056.db2.gz FQQIHBPERTZWRI-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330504965 393553058 /nfs/dbraw/zinc/55/30/58/393553058.db2.gz FQQIHBPERTZWRI-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCC1(O)CCC1)C1CC1 ZINC000411396217 393708038 /nfs/dbraw/zinc/70/80/38/393708038.db2.gz FKIWXEHKBWZLKK-UHFFFAOYSA-N 1 1 290.363 2.864 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)nc1 ZINC000245451378 393805720 /nfs/dbraw/zinc/80/57/20/393805720.db2.gz PLKZYKBZVZVKSA-CHWSQXEVSA-N 1 1 288.351 2.585 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851514 393806789 /nfs/dbraw/zinc/80/67/89/393806789.db2.gz OZLIHBOXGPRSDI-HZRUHFOJSA-N 1 1 277.368 2.571 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC000245536120 393813451 /nfs/dbraw/zinc/81/34/51/393813451.db2.gz XHUINEDNBNMNQR-DOMZBBRYSA-N 1 1 278.352 2.811 20 5 CFBDMO COC[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178796 393898603 /nfs/dbraw/zinc/89/86/03/393898603.db2.gz ODSZEVMIECSZKD-JEMSNHSXSA-N 1 1 290.363 2.966 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000470172699 393899250 /nfs/dbraw/zinc/89/92/50/393899250.db2.gz AJTIZBGOCLLENA-CZAWJFPGSA-N 1 1 290.363 2.966 20 5 CFBDMO CC(C)c1ccc(CN[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342216417 393862015 /nfs/dbraw/zinc/86/20/15/393862015.db2.gz XJJWMILQTZUTJN-LBPRGKRZSA-N 1 1 279.384 2.758 20 5 CFBDMO COCC(C)(C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000429237879 393947508 /nfs/dbraw/zinc/94/75/08/393947508.db2.gz XYORWYAADPGLNP-UHFFFAOYSA-N 1 1 258.343 2.513 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000429237879 393947511 /nfs/dbraw/zinc/94/75/11/393947511.db2.gz XYORWYAADPGLNP-UHFFFAOYSA-N 1 1 258.343 2.513 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429256783 393949359 /nfs/dbraw/zinc/94/93/59/393949359.db2.gz QPMSLAGRIIVDOZ-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429256783 393949361 /nfs/dbraw/zinc/94/93/61/393949361.db2.gz QPMSLAGRIIVDOZ-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352677611 394017429 /nfs/dbraw/zinc/01/74/29/394017429.db2.gz LFBHPIOURWHCBL-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352677611 394017430 /nfs/dbraw/zinc/01/74/30/394017430.db2.gz LFBHPIOURWHCBL-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348398982 393953200 /nfs/dbraw/zinc/95/32/00/393953200.db2.gz INAAXOPPGOWFHU-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348398982 393953201 /nfs/dbraw/zinc/95/32/01/393953201.db2.gz INAAXOPPGOWFHU-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCN(C)C)CC(C)C ZINC000348904426 393960486 /nfs/dbraw/zinc/96/04/86/393960486.db2.gz MQUBGHUKIVBYNC-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCN(C)C)CC(C)C ZINC000348904426 393960488 /nfs/dbraw/zinc/96/04/88/393960488.db2.gz MQUBGHUKIVBYNC-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349253947 393965743 /nfs/dbraw/zinc/96/57/43/393965743.db2.gz RVBSGYKXGYLJQC-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000430194756 393966149 /nfs/dbraw/zinc/96/61/49/393966149.db2.gz KSSCGXLYPYLFMF-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000430194759 393966398 /nfs/dbraw/zinc/96/63/98/393966398.db2.gz KSSCGXLYPYLFMF-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000430227808 393970973 /nfs/dbraw/zinc/97/09/73/393970973.db2.gz SPIMPDRVCBFJDN-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000430227808 393970975 /nfs/dbraw/zinc/97/09/75/393970975.db2.gz SPIMPDRVCBFJDN-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266925531 393984700 /nfs/dbraw/zinc/98/47/00/393984700.db2.gz ZGWADJDDIJHIPS-TUAOUCFPSA-N 1 1 293.367 2.549 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCF)o2)cc1 ZINC000437250896 394050892 /nfs/dbraw/zinc/05/08/92/394050892.db2.gz YYKFWWJRBTYLGL-UHFFFAOYSA-N 1 1 264.256 2.914 20 5 CFBDMO CC(C)[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488011662 394035325 /nfs/dbraw/zinc/03/53/25/394035325.db2.gz RVKJYQQLGYTOOK-CZUORRHYSA-N 1 1 291.395 2.928 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000353771982 394036618 /nfs/dbraw/zinc/03/66/18/394036618.db2.gz YERUQAJYENBSEK-GFCCVEGCSA-N 1 1 266.341 2.840 20 5 CFBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084563 394145737 /nfs/dbraw/zinc/14/57/37/394145737.db2.gz UBLUXAPXSQQJGT-WDEREUQCSA-N 1 1 281.331 2.571 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@H+]1C ZINC000421003787 394153404 /nfs/dbraw/zinc/15/34/04/394153404.db2.gz NIZMYDYFWXUYHL-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1nn(C)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291689310 394256569 /nfs/dbraw/zinc/25/65/69/394256569.db2.gz IVCQVDVRDRYFPO-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291172677 394237372 /nfs/dbraw/zinc/23/73/72/394237372.db2.gz DTFIOCZYHPYZBC-AWEZNQCLSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC[C@H]1C ZINC000367700215 394260554 /nfs/dbraw/zinc/26/05/54/394260554.db2.gz BQGDVGICFDDHKS-GFCCVEGCSA-N 1 1 264.325 2.514 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265337 394275321 /nfs/dbraw/zinc/27/53/21/394275321.db2.gz QUERPOLDCDTCNP-CJNGLKHVSA-N 1 1 291.395 2.935 20 5 CFBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604352 394275416 /nfs/dbraw/zinc/27/54/16/394275416.db2.gz MMURYRNEKGXLQV-ABAIWWIYSA-N 1 1 293.342 2.573 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153586900 394286583 /nfs/dbraw/zinc/28/65/83/394286583.db2.gz ILPLGLRRXFRRBR-JTQLQIEISA-N 1 1 298.774 2.930 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645330 394288020 /nfs/dbraw/zinc/28/80/20/394288020.db2.gz BUXLZOJUBPSBJL-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000153829816 394293635 /nfs/dbraw/zinc/29/36/35/394293635.db2.gz ZMUAVCGYQOBUIG-GXSJLCMTSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788231 394361176 /nfs/dbraw/zinc/36/11/76/394361176.db2.gz FNDWBZIDMIERTE-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788231 394361178 /nfs/dbraw/zinc/36/11/78/394361178.db2.gz FNDWBZIDMIERTE-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788375 394361199 /nfs/dbraw/zinc/36/11/99/394361199.db2.gz FNDWBZIDMIERTE-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788375 394361202 /nfs/dbraw/zinc/36/12/02/394361202.db2.gz FNDWBZIDMIERTE-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160137075 394366106 /nfs/dbraw/zinc/36/61/06/394366106.db2.gz WQLGFISXHFGVSD-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160137075 394366108 /nfs/dbraw/zinc/36/61/08/394366108.db2.gz WQLGFISXHFGVSD-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308511 394369684 /nfs/dbraw/zinc/36/96/84/394369684.db2.gz UJIRTFZIOFBGBM-OBJOEFQTSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308511 394369685 /nfs/dbraw/zinc/36/96/85/394369685.db2.gz UJIRTFZIOFBGBM-OBJOEFQTSA-N 1 1 289.379 2.871 20 5 CFBDMO Cc1cnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000536021579 394551999 /nfs/dbraw/zinc/55/19/99/394551999.db2.gz CQSWEPUKUBITEE-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000536021579 394552002 /nfs/dbraw/zinc/55/20/02/394552002.db2.gz CQSWEPUKUBITEE-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000540036189 394641360 /nfs/dbraw/zinc/64/13/60/394641360.db2.gz CIVIMQWFNDDKGY-FZMZJTMJSA-N 1 1 275.352 2.798 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000555237753 394968938 /nfs/dbraw/zinc/96/89/38/394968938.db2.gz MTGUUTPBBHXQMM-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305805627 292296670 /nfs/dbraw/zinc/29/66/70/292296670.db2.gz GDKRADDVPSZYJI-HUBLWGQQSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406849 292296307 /nfs/dbraw/zinc/29/63/07/292296307.db2.gz OCHNFXOINFPZES-XBFCOCLRSA-N 1 1 291.395 2.881 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367439407 156333596 /nfs/dbraw/zinc/33/35/96/156333596.db2.gz UJCTYLCWSOMWRA-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO Cc1c(C[N@@H+]2CCOCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000367655983 156373152 /nfs/dbraw/zinc/37/31/52/156373152.db2.gz FGAVVYOFNVBXDL-LLVKDONJSA-N 1 1 264.325 2.514 20 5 CFBDMO C[N@@H+]1CC=C(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344368078 162024909 /nfs/dbraw/zinc/02/49/09/162024909.db2.gz VHGQDBKCHUXDSO-UHFFFAOYSA-N 1 1 295.770 2.600 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000345167169 162193014 /nfs/dbraw/zinc/19/30/14/162193014.db2.gz XRAXZEHCEHUAHQ-CHWSQXEVSA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346209978 162351574 /nfs/dbraw/zinc/35/15/74/162351574.db2.gz ONKOEVYCVLIFKG-WDEREUQCSA-N 1 1 283.397 2.571 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000348356240 162834369 /nfs/dbraw/zinc/83/43/69/162834369.db2.gz XJLSEDOSZXLYAS-YPMHNXCESA-N 1 1 292.383 2.607 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000349958280 163042588 /nfs/dbraw/zinc/04/25/88/163042588.db2.gz AWWOCPXNILTMSF-ZDUSSCGKSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(F)C1 ZINC000349958280 163042590 /nfs/dbraw/zinc/04/25/90/163042590.db2.gz AWWOCPXNILTMSF-ZDUSSCGKSA-N 1 1 252.289 2.837 20 5 CFBDMO CC(C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351844198 163201306 /nfs/dbraw/zinc/20/13/06/163201306.db2.gz KDLCAKNKZWMGQB-UHFFFAOYSA-N 1 1 258.268 2.961 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351844198 163201309 /nfs/dbraw/zinc/20/13/09/163201309.db2.gz KDLCAKNKZWMGQB-UHFFFAOYSA-N 1 1 258.268 2.961 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCc1ccccc1)CC2 ZINC000353000559 163285199 /nfs/dbraw/zinc/28/51/99/163285199.db2.gz ZFUGMGCDXCQKTL-UHFFFAOYSA-N 1 1 297.358 2.981 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353026316 163291769 /nfs/dbraw/zinc/29/17/69/163291769.db2.gz USJPXUDMZILEEY-NSHDSACASA-N 1 1 286.278 2.656 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cs1 ZINC000284847930 196143069 /nfs/dbraw/zinc/14/30/69/196143069.db2.gz RIYUBQDNOYANAS-NWDGAFQWSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cs1 ZINC000284847930 196143070 /nfs/dbraw/zinc/14/30/70/196143070.db2.gz RIYUBQDNOYANAS-NWDGAFQWSA-N 1 1 282.365 2.800 20 5 CFBDMO Cc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000035258961 172091238 /nfs/dbraw/zinc/09/12/38/172091238.db2.gz UYIVMCWLYSPSOQ-AWEZNQCLSA-N 1 1 291.395 2.867 20 5 CFBDMO COCCCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285293902 196243968 /nfs/dbraw/zinc/24/39/68/196243968.db2.gz KOCQYYMXYBDNDB-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO C[N@@H+](CCc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000285399786 196272093 /nfs/dbraw/zinc/27/20/93/196272093.db2.gz TXJBHTRHSPDBEE-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO COc1ncccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037650344 173601953 /nfs/dbraw/zinc/60/19/53/173601953.db2.gz WTSFKFIZKAIXKP-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040503270 174300181 /nfs/dbraw/zinc/30/01/81/174300181.db2.gz OXBZCPCPMHUNFA-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO C[N@H+]1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044534075 175197660 /nfs/dbraw/zinc/19/76/60/175197660.db2.gz XHCQMNBRSUUJNB-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[N@@H+](CCNCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071376810 176142183 /nfs/dbraw/zinc/14/21/83/176142183.db2.gz XDLAENHWBDVDDE-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071376810 176142185 /nfs/dbraw/zinc/14/21/85/176142185.db2.gz XDLAENHWBDVDDE-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000525784653 262234218 /nfs/dbraw/zinc/23/42/18/262234218.db2.gz VFRGFRUNAJNAPE-LBPRGKRZSA-N 1 1 296.367 2.960 20 5 CFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000194095827 270242632 /nfs/dbraw/zinc/24/26/32/270242632.db2.gz OWULGENWDFJSDS-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146365 274385667 /nfs/dbraw/zinc/38/56/67/274385667.db2.gz ZFMMOBFFZQXRQG-OLZOCXBDSA-N 1 1 290.363 2.768 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000230911231 274395090 /nfs/dbraw/zinc/39/50/90/274395090.db2.gz DYHJQBOSHGCJSQ-BDAKNGLRSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000370266742 275033989 /nfs/dbraw/zinc/03/39/89/275033989.db2.gz PDJZUHUKJFJUIH-ZETCQYMHSA-N 1 1 294.261 2.566 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CCc3[nH]c[nH+]c3C2)c(F)c1 ZINC000370266742 275033990 /nfs/dbraw/zinc/03/39/90/275033990.db2.gz PDJZUHUKJFJUIH-ZETCQYMHSA-N 1 1 294.261 2.566 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCSC1)CC2 ZINC000336479701 275037763 /nfs/dbraw/zinc/03/77/63/275037763.db2.gz NVWOIQCIYLIYET-LLVKDONJSA-N 1 1 278.377 2.706 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC34CCC4)nc2c1 ZINC000444784448 275038856 /nfs/dbraw/zinc/03/88/56/275038856.db2.gz VQXJUMVMIVTKPW-UHFFFAOYSA-N 1 1 286.335 2.990 20 5 CFBDMO CC1(C)C[C@H](NCC(F)(F)C[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423344493 275867073 /nfs/dbraw/zinc/86/70/73/275867073.db2.gz MYPGTZCCEJSCSA-LBPRGKRZSA-N 1 1 299.321 2.501 20 5 CFBDMO CCC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604114 276025942 /nfs/dbraw/zinc/02/59/42/276025942.db2.gz VPIOVEKQGPHUSR-CQSZACIVSA-N 1 1 278.352 2.720 20 5 CFBDMO CC[NH2+]CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847515 276266702 /nfs/dbraw/zinc/26/67/02/276266702.db2.gz OWAVEXIBXCIJES-DZGCQCFKSA-N 1 1 291.395 2.505 20 5 CFBDMO COCC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000361314565 277198893 /nfs/dbraw/zinc/19/88/93/277198893.db2.gz SABUYZCSHUJXOX-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193089 278091787 /nfs/dbraw/zinc/09/17/87/278091787.db2.gz MFZFQBAQWOADNH-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278789558 278379311 /nfs/dbraw/zinc/37/93/11/278379311.db2.gz QHGLYHNVUMKPHY-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000301980397 279000113 /nfs/dbraw/zinc/00/01/13/279000113.db2.gz ARJBBMZGIUVLIM-BDAKNGLRSA-N 1 1 267.354 2.693 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692007 279133038 /nfs/dbraw/zinc/13/30/38/279133038.db2.gz OWGOKCCMJHBSFG-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(CF)CF ZINC000449379470 279275053 /nfs/dbraw/zinc/27/50/53/279275053.db2.gz IJJTTWRNFWBMDC-SNVBAGLBSA-N 1 1 272.295 2.813 20 5 CFBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415150 280090883 /nfs/dbraw/zinc/09/08/83/280090883.db2.gz QNUWNWKYEXHBIO-WDEREUQCSA-N 1 1 266.366 2.921 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370500473 280365334 /nfs/dbraw/zinc/36/53/34/280365334.db2.gz QWXUYVHOEUYIGZ-JTQLQIEISA-N 1 1 290.298 2.841 20 5 CFBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294969280 288266752 /nfs/dbraw/zinc/26/67/52/288266752.db2.gz ODXQDQMGVILSPF-LBPRGKRZSA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000305672124 281154717 /nfs/dbraw/zinc/15/47/17/281154717.db2.gz XMNZKKZYUMIGMW-SGMGOOAPSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763220 281209502 /nfs/dbraw/zinc/20/95/02/281209502.db2.gz WQPNUKZWCWETQE-GHMZBOCLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278921 281210051 /nfs/dbraw/zinc/21/00/51/281210051.db2.gz ZCTSJYQGSFEYRE-NXEZZACHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278921 281210052 /nfs/dbraw/zinc/21/00/52/281210052.db2.gz ZCTSJYQGSFEYRE-NXEZZACHSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cn[nH]c1)C1CC1 ZINC000459361430 281257213 /nfs/dbraw/zinc/25/72/13/281257213.db2.gz FNNFYPUMDFDQHE-UHFFFAOYSA-N 1 1 286.335 2.525 20 5 CFBDMO CC[C@]1(C)COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330544098 281331217 /nfs/dbraw/zinc/33/12/17/281331217.db2.gz YZNDJVXXWSOIIN-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000559295976 282004651 /nfs/dbraw/zinc/00/46/51/282004651.db2.gz VJRSZEAKKZGLJN-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000565430177 290301262 /nfs/dbraw/zinc/30/12/62/290301262.db2.gz CQTQJCBCMQMWMR-GFCCVEGCSA-N 1 1 293.367 2.746 20 5 CFBDMO Cc1oncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189327265 324027306 /nfs/dbraw/zinc/02/73/06/324027306.db2.gz AJWGEGPJQVWQLJ-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO COC[C@@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189667383 324031942 /nfs/dbraw/zinc/03/19/42/324031942.db2.gz CDCNIFVAXXOBMP-LBPRGKRZSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[NH+](CC)Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000351145726 324326684 /nfs/dbraw/zinc/32/66/84/324326684.db2.gz KHTRUJVWDXRATD-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000384159489 324443767 /nfs/dbraw/zinc/44/37/67/324443767.db2.gz JIGXWJSNBRQPRA-QMMMGPOBSA-N 1 1 278.337 2.606 20 5 CFBDMO CCc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000581736240 325147766 /nfs/dbraw/zinc/14/77/66/325147766.db2.gz PGNPSGUPHNNJLN-CQSZACIVSA-N 1 1 287.319 2.922 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000583082154 325258600 /nfs/dbraw/zinc/25/86/00/325258600.db2.gz HXNRMTQVNKDGAO-GOEBONIOSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCCC[C@H]1CO ZINC000828710612 782103679 /nfs/dbraw/zinc/10/36/79/782103679.db2.gz OFAPQFDKIUYSRB-VFADXPBXSA-N 1 1 290.363 2.845 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170916321 522063192 /nfs/dbraw/zinc/06/31/92/522063192.db2.gz RISVJOQYTYLFHD-LLVKDONJSA-N 1 1 252.314 2.704 20 5 CFBDMO C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000414855015 533788761 /nfs/dbraw/zinc/78/87/61/533788761.db2.gz MRAXQHZIJQBUMZ-HIINFBLBSA-N 1 1 289.379 2.586 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331081 519629489 /nfs/dbraw/zinc/62/94/89/519629489.db2.gz HQDMPXMULBOLAO-STQMWFEESA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331081 519629492 /nfs/dbraw/zinc/62/94/92/519629492.db2.gz HQDMPXMULBOLAO-STQMWFEESA-N 1 1 279.384 2.974 20 5 CFBDMO CCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665001 520183468 /nfs/dbraw/zinc/18/34/68/520183468.db2.gz ANRBLEIDFLAOPV-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000083419341 520470529 /nfs/dbraw/zinc/47/05/29/520470529.db2.gz IWBLOLUDZSITIR-UHFFFAOYSA-N 1 1 296.392 2.801 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@H](C)OC ZINC000361018604 521281698 /nfs/dbraw/zinc/28/16/98/521281698.db2.gz SXTJSZXMCSBUOR-LBPRGKRZSA-N 1 1 296.367 2.850 20 5 CFBDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936222 521806071 /nfs/dbraw/zinc/80/60/71/521806071.db2.gz WIZWCFDERPNIIP-WDEREUQCSA-N 1 1 280.372 2.727 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360881593 523176652 /nfs/dbraw/zinc/17/66/52/523176652.db2.gz BKFTURQYYNSBGC-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO C[N@H+]1CCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443956 523839808 /nfs/dbraw/zinc/83/98/08/523839808.db2.gz DOCXEKCACCHTME-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CC[C@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523130 523880383 /nfs/dbraw/zinc/88/03/83/523880383.db2.gz PNDRVALWYDRUFF-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386396 524109897 /nfs/dbraw/zinc/10/98/97/524109897.db2.gz QTEYUUVZUIOKRD-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000059814791 524121307 /nfs/dbraw/zinc/12/13/07/524121307.db2.gz GDQGOVBBDFTHCY-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067386371 524230950 /nfs/dbraw/zinc/23/09/50/524230950.db2.gz ZEMWXNKWBREAEE-GFCCVEGCSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210791 524657348 /nfs/dbraw/zinc/65/73/48/524657348.db2.gz DATMXHXJZWLYJM-TXEJJXNPSA-N 1 1 291.351 2.796 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377771206 525461052 /nfs/dbraw/zinc/46/10/52/525461052.db2.gz FJAUGDLAPHCBEH-BXUZGUMPSA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000049553663 525739490 /nfs/dbraw/zinc/73/94/90/525739490.db2.gz STSSAUKYOCBMDB-QWHCGFSZSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000166247221 525925558 /nfs/dbraw/zinc/92/55/58/525925558.db2.gz ZNEQDSOBUSWKJC-BLLLJJGKSA-N 1 1 291.395 2.894 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365799034 527349101 /nfs/dbraw/zinc/34/91/01/527349101.db2.gz WMRUAEVACZKLLP-NSHDSACASA-N 1 1 291.307 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccoc2)c(F)c1 ZINC000310925054 527350662 /nfs/dbraw/zinc/35/06/62/527350662.db2.gz HVCKUKAWOSDCJM-UHFFFAOYSA-N 1 1 250.229 2.617 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361637861 527401452 /nfs/dbraw/zinc/40/14/52/527401452.db2.gz VUYRBWUPYHKRLK-ZDUSSCGKSA-N 1 1 298.346 2.764 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815208 527980259 /nfs/dbraw/zinc/98/02/59/527980259.db2.gz FCGMYJIEEZLBCM-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815208 527980261 /nfs/dbraw/zinc/98/02/61/527980261.db2.gz FCGMYJIEEZLBCM-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413190638 528021193 /nfs/dbraw/zinc/02/11/93/528021193.db2.gz XHAOFEQJRRHCPZ-NSHDSACASA-N 1 1 296.346 2.519 20 5 CFBDMO CC(C)[N@@H+](CCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179453467 528917092 /nfs/dbraw/zinc/91/70/92/528917092.db2.gz ZLQLXYJSTVMUDU-UHFFFAOYSA-N 1 1 288.351 2.702 20 5 CFBDMO CCn1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000414213596 529175205 /nfs/dbraw/zinc/17/52/05/529175205.db2.gz UQWWGJDYUJXLAL-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588158 535160859 /nfs/dbraw/zinc/16/08/59/535160859.db2.gz DKTSIELMMOBGDJ-SNVBAGLBSA-N 1 1 276.340 2.947 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452115823 535243528 /nfs/dbraw/zinc/24/35/28/535243528.db2.gz MFNNIXQTDWGLFC-INIZCTEOSA-N 1 1 291.395 2.552 20 5 CFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000459670899 535708156 /nfs/dbraw/zinc/70/81/56/535708156.db2.gz FRVRLJAOAZHOQH-OAHLLOKOSA-N 1 1 278.352 2.986 20 5 CFBDMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548458 536003965 /nfs/dbraw/zinc/00/39/65/536003965.db2.gz NKNNUBLAWCWLEV-GDBMZVCRSA-N 1 1 292.379 2.935 20 5 CFBDMO COC1(C)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342130550 536562936 /nfs/dbraw/zinc/56/29/36/536562936.db2.gz FKSDKVCPEJTBEH-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000754078789 574069990 /nfs/dbraw/zinc/06/99/90/574069990.db2.gz ACHLVQVWCGTIGJ-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000754078789 574069993 /nfs/dbraw/zinc/06/99/93/574069993.db2.gz ACHLVQVWCGTIGJ-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000747223026 574187968 /nfs/dbraw/zinc/18/79/68/574187968.db2.gz IVAVPISPRYHJIP-UWVGGRQHSA-N 1 1 297.330 2.637 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOc1cccc([N+](=O)[O-])c1 ZINC000747576956 574201839 /nfs/dbraw/zinc/20/18/39/574201839.db2.gz YHFOUNJFIWOOGI-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc[nH]c2)c1 ZINC000756899893 574271371 /nfs/dbraw/zinc/27/13/71/574271371.db2.gz HGXOYAQXERFBGM-UHFFFAOYSA-N 1 1 265.700 2.866 20 5 CFBDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725803371 574311465 /nfs/dbraw/zinc/31/14/65/574311465.db2.gz JRTJIBDLMMJWEL-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725803371 574311467 /nfs/dbraw/zinc/31/14/67/574311467.db2.gz JRTJIBDLMMJWEL-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO CC[N@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207139 574319130 /nfs/dbraw/zinc/31/91/30/574319130.db2.gz QZRJCOPCAIBAOS-UKRRQHHQSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207139 574319138 /nfs/dbraw/zinc/31/91/38/574319138.db2.gz QZRJCOPCAIBAOS-UKRRQHHQSA-N 1 1 291.395 2.723 20 5 CFBDMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752302232 574390318 /nfs/dbraw/zinc/39/03/18/574390318.db2.gz ZXWXVHYKGCYXDN-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752302232 574390319 /nfs/dbraw/zinc/39/03/19/574390319.db2.gz ZXWXVHYKGCYXDN-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000932347662 617678159 /nfs/dbraw/zinc/67/81/59/617678159.db2.gz YXBGLTKXCJMBEG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C)CC1 ZINC000932347662 617678162 /nfs/dbraw/zinc/67/81/62/617678162.db2.gz YXBGLTKXCJMBEG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1nn(C[N@@H+](C)CCC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121272954 617906403 /nfs/dbraw/zinc/90/64/03/617906403.db2.gz TZWGBRBGUXJKFG-UHFFFAOYSA-N 1 1 288.351 2.942 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000892055478 617929884 /nfs/dbraw/zinc/92/98/84/617929884.db2.gz HVPYOTSZPKWFKZ-UHFFFAOYSA-N 1 1 292.335 2.685 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892146335 617972341 /nfs/dbraw/zinc/97/23/41/617972341.db2.gz XELSCXSXFAVEHI-OAHLLOKOSA-N 1 1 294.351 2.931 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000892222056 618010530 /nfs/dbraw/zinc/01/05/30/618010530.db2.gz MXUIFXZYPVEDGD-LLVKDONJSA-N 1 1 294.351 2.787 20 5 CFBDMO C[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721433 618157322 /nfs/dbraw/zinc/15/73/22/618157322.db2.gz HYDVUINRNCTFLW-GWCFXTLKSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721431 618157459 /nfs/dbraw/zinc/15/74/59/618157459.db2.gz HYDVUINRNCTFLW-MFKMUULPSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000090794979 618195217 /nfs/dbraw/zinc/19/52/17/618195217.db2.gz NROUNMRJLWEAQR-UWVGGRQHSA-N 1 1 267.304 2.629 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCCC[C@@H]1CO ZINC000895151940 618397541 /nfs/dbraw/zinc/39/75/41/618397541.db2.gz OFAPQFDKIUYSRB-DDJMYBDESA-N 1 1 290.363 2.845 20 5 CFBDMO CC(C)[N@@H+](C)Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398697 620805718 /nfs/dbraw/zinc/80/57/18/620805718.db2.gz GHFNMJZMSOQLMU-UHFFFAOYSA-N 1 1 265.269 2.683 20 5 CFBDMO CC[C@@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091732 618489221 /nfs/dbraw/zinc/48/92/21/618489221.db2.gz AGWHBKDIJQDKNH-CABCVRRESA-N 1 1 278.352 2.750 20 5 CFBDMO CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000895309855 618526158 /nfs/dbraw/zinc/52/61/58/618526158.db2.gz WAYQGWNJMOKUCT-LLVKDONJSA-N 1 1 283.715 2.503 20 5 CFBDMO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000895466963 618600902 /nfs/dbraw/zinc/60/09/02/618600902.db2.gz YTUMWFYHOHPHNW-UHFFFAOYSA-N 1 1 278.337 2.729 20 5 CFBDMO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000058002750 618696575 /nfs/dbraw/zinc/69/65/75/618696575.db2.gz MGIDTCPSAKLJGN-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO COCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000058002750 618696576 /nfs/dbraw/zinc/69/65/76/618696576.db2.gz MGIDTCPSAKLJGN-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1F ZINC000832348765 625293929 /nfs/dbraw/zinc/29/39/29/625293929.db2.gz RCAQDHBHBRYQDE-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO CC[C@@H](CO)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641086 618903400 /nfs/dbraw/zinc/90/34/00/618903400.db2.gz VTMCTDDQHHHUCM-KGLIPLIRSA-N 1 1 278.352 2.545 20 5 CFBDMO [NH3+]CC[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633677 619041577 /nfs/dbraw/zinc/04/15/77/619041577.db2.gz NXDUCHVQNYJEGX-LLVKDONJSA-N 1 1 297.786 2.809 20 5 CFBDMO C[C@H]([NH3+])C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633655 619041616 /nfs/dbraw/zinc/04/16/16/619041616.db2.gz VSJQMLDVIIESAI-JTQLQIEISA-N 1 1 297.786 2.807 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000314158983 619058893 /nfs/dbraw/zinc/05/88/93/619058893.db2.gz XEUNQHULCZYCKW-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000105460525 619093222 /nfs/dbraw/zinc/09/32/22/619093222.db2.gz RZWFSYDMTZYHJB-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894272856 619300108 /nfs/dbraw/zinc/30/01/08/619300108.db2.gz LPISZGCRXUPVNQ-UHFFFAOYSA-N 1 1 290.319 2.871 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055855 619316569 /nfs/dbraw/zinc/31/65/69/619316569.db2.gz NQZCZUHRISYCPJ-NEPJUHHUSA-N 1 1 266.345 2.649 20 5 CFBDMO C[NH2+]CC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000261949685 619345811 /nfs/dbraw/zinc/34/58/11/619345811.db2.gz NRXJHVNKUBPAKR-UHFFFAOYSA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000895739076 619593457 /nfs/dbraw/zinc/59/34/57/619593457.db2.gz AUGGPRBHLCQMGR-WPRPVWTQSA-N 1 1 292.364 2.709 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC000895734537 619596295 /nfs/dbraw/zinc/59/62/95/619596295.db2.gz OJBOLIZGUHERRL-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738278 619597889 /nfs/dbraw/zinc/59/78/89/619597889.db2.gz UKJPBPJHQJIYFK-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO C[N@@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000895898450 619629725 /nfs/dbraw/zinc/62/97/25/619629725.db2.gz SKTLUFDOQNAYQS-UHFFFAOYSA-N 1 1 292.257 2.988 20 5 CFBDMO CO[C@@H]1CC[C@H]1N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897142897 619938887 /nfs/dbraw/zinc/93/88/87/619938887.db2.gz VEZRWJUWFBLMJZ-HUUCEWRRSA-N 1 1 287.319 2.757 20 5 CFBDMO Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000035054393 620102798 /nfs/dbraw/zinc/10/27/98/620102798.db2.gz HXCRXTGLKJWREQ-UHFFFAOYSA-N 1 1 289.379 2.620 20 5 CFBDMO CC(C)c1ccc(C[NH2+]Cc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000898045272 620320087 /nfs/dbraw/zinc/32/00/87/620320087.db2.gz LAVVULOWJLTBFB-UHFFFAOYSA-N 1 1 288.351 2.742 20 5 CFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CC1 ZINC000902413937 621084247 /nfs/dbraw/zinc/08/42/47/621084247.db2.gz PYRWNVSNPPMLBN-NSHDSACASA-N 1 1 295.408 2.546 20 5 CFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1([NH3+])CC1 ZINC000902413937 621084249 /nfs/dbraw/zinc/08/42/49/621084249.db2.gz PYRWNVSNPPMLBN-NSHDSACASA-N 1 1 295.408 2.546 20 5 CFBDMO Cc1c([C@@H](C)[NH2+]Cc2csc(N)n2)cccc1[N+](=O)[O-] ZINC000902491647 621103115 /nfs/dbraw/zinc/10/31/15/621103115.db2.gz RFCSRPZIBCIVQM-SECBINFHSA-N 1 1 292.364 2.793 20 5 CFBDMO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000902674904 621146268 /nfs/dbraw/zinc/14/62/68/621146268.db2.gz YPYAHXDFVRAOPX-NEPJUHHUSA-N 1 1 278.356 2.568 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000903757907 621438510 /nfs/dbraw/zinc/43/85/10/621438510.db2.gz IMYAXQAAURUINM-ZIAGYGMSSA-N 1 1 291.395 2.944 20 5 CFBDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000905032216 621683498 /nfs/dbraw/zinc/68/34/98/621683498.db2.gz BBMYXEOMAMNUHE-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000906508464 621995046 /nfs/dbraw/zinc/99/50/46/621995046.db2.gz YXKUSRIIQAYZNM-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226095758 623057974 /nfs/dbraw/zinc/05/79/74/623057974.db2.gz CCGJQSGZYYEPBZ-JTQLQIEISA-N 1 1 269.732 2.754 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200206 623259610 /nfs/dbraw/zinc/25/96/10/623259610.db2.gz RSZVZCYVTUBEDF-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000172919443 623317459 /nfs/dbraw/zinc/31/74/59/623317459.db2.gz SJYOHVZHORUDHY-MNOVXSKESA-N 1 1 280.372 2.876 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825339001 623676677 /nfs/dbraw/zinc/67/66/77/623676677.db2.gz XXZYSCYDQOGMAE-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153275107 623912467 /nfs/dbraw/zinc/91/24/67/623912467.db2.gz ZZAGAEOOZXQGBD-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000915208260 623997971 /nfs/dbraw/zinc/99/79/71/623997971.db2.gz DEKBZBOHQALRBK-MRVWCRGKSA-N 1 1 278.356 2.649 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368145 624073315 /nfs/dbraw/zinc/07/33/15/624073315.db2.gz RTCMUZOZMBRRIR-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368145 624073327 /nfs/dbraw/zinc/07/33/27/624073327.db2.gz RTCMUZOZMBRRIR-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000918150922 624423160 /nfs/dbraw/zinc/42/31/60/624423160.db2.gz DGMRFRVFLAULDJ-CYBMUJFWSA-N 1 1 296.392 2.801 20 5 CFBDMO CC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831533856 625044930 /nfs/dbraw/zinc/04/49/30/625044930.db2.gz LCHQRTRLPSOOSZ-AWEZNQCLSA-N 1 1 276.336 2.753 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000838797128 626505515 /nfs/dbraw/zinc/50/55/15/626505515.db2.gz NIBLNWXADOFKPD-OAHLLOKOSA-N 1 1 278.352 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)C3CC3)C2)cc1 ZINC000839032285 626521276 /nfs/dbraw/zinc/52/12/76/626521276.db2.gz PSGMTNDBWBKUQK-HOCLYGCPSA-N 1 1 290.363 2.545 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839191892 626530673 /nfs/dbraw/zinc/53/06/73/626530673.db2.gz LQJQGRFUIHXPIJ-CQSZACIVSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000839681124 626552226 /nfs/dbraw/zinc/55/22/26/626552226.db2.gz PRAPFYAEZMXEQL-GOEBONIOSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924705 626702434 /nfs/dbraw/zinc/70/24/34/626702434.db2.gz ZGPQSOWEKPQKIR-IUODEOHRSA-N 1 1 292.379 2.996 20 5 CFBDMO CC[N@@H+](CCC1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000760880457 626780486 /nfs/dbraw/zinc/78/04/86/626780486.db2.gz KCAAGSIFGBIXEW-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO COCC1([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000761102932 626804912 /nfs/dbraw/zinc/80/49/12/626804912.db2.gz SVSZZTACRJHHNR-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COCC1([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000761102932 626804914 /nfs/dbraw/zinc/80/49/14/626804914.db2.gz SVSZZTACRJHHNR-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512903 626841655 /nfs/dbraw/zinc/84/16/55/626841655.db2.gz ZXSJDOWHFYXSLR-LLVKDONJSA-N 1 1 284.743 2.717 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766252497 627188095 /nfs/dbraw/zinc/18/80/95/627188095.db2.gz GEXXDDUWDHTNFV-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272569 627189236 /nfs/dbraw/zinc/18/92/36/627189236.db2.gz YWAVGOKXJINYJS-STQMWFEESA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272569 627189237 /nfs/dbraw/zinc/18/92/37/627189237.db2.gz YWAVGOKXJINYJS-STQMWFEESA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768773760 627370888 /nfs/dbraw/zinc/37/08/88/627370888.db2.gz PTIONFZKFNKIOV-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589175 628162397 /nfs/dbraw/zinc/16/23/97/628162397.db2.gz PVSFPUWAZUYZHE-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589181 628162477 /nfs/dbraw/zinc/16/24/77/628162477.db2.gz PVSFPUWAZUYZHE-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776596436 628163979 /nfs/dbraw/zinc/16/39/79/628163979.db2.gz DGXVBCNAZZDDOH-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000779860357 628414688 /nfs/dbraw/zinc/41/46/88/628414688.db2.gz XOWXUYUKIJOINO-UBHSHLNASA-N 1 1 292.383 2.958 20 5 CFBDMO Cc1nn(C[N@H+](CC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000779859228 628414951 /nfs/dbraw/zinc/41/49/51/628414951.db2.gz QNGVDTUMXMKPFF-UHFFFAOYSA-N 1 1 280.372 2.958 20 5 CFBDMO CCC1(C)CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779858692 628414958 /nfs/dbraw/zinc/41/49/58/628414958.db2.gz CTUGVVCOJAMAJO-UHFFFAOYSA-N 1 1 266.345 2.569 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654746 628731968 /nfs/dbraw/zinc/73/19/68/628731968.db2.gz CJZJQWUIMIUTSX-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@H]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654746 628731969 /nfs/dbraw/zinc/73/19/69/628731969.db2.gz CJZJQWUIMIUTSX-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000783729306 628738128 /nfs/dbraw/zinc/73/81/28/628738128.db2.gz MPENHXWYISDFDH-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[NH+](C)C)n1 ZINC000785585504 628895446 /nfs/dbraw/zinc/89/54/46/628895446.db2.gz YEJFJKXMZHIOGO-VIFPVBQESA-N 1 1 276.296 2.576 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500035 629074918 /nfs/dbraw/zinc/07/49/18/629074918.db2.gz YDXXPUSQIAXQCV-SECBINFHSA-N 1 1 261.281 2.621 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1Cl ZINC000793258929 629515816 /nfs/dbraw/zinc/51/58/16/629515816.db2.gz QCQBQHYIVRCFFR-NSHDSACASA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000794703167 629676512 /nfs/dbraw/zinc/67/65/12/629676512.db2.gz AIFOBQXBASEJMF-LBPRGKRZSA-N 1 1 280.372 2.815 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852559279 634779921 /nfs/dbraw/zinc/77/99/21/634779921.db2.gz HZVQXUBRAIBVFR-TVQRCGJNSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852559279 634779925 /nfs/dbraw/zinc/77/99/25/634779925.db2.gz HZVQXUBRAIBVFR-TVQRCGJNSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1=C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000797605173 630088852 /nfs/dbraw/zinc/08/88/52/630088852.db2.gz NRCHDMASOIBZHH-JTQLQIEISA-N 1 1 291.307 2.901 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000797605173 630088857 /nfs/dbraw/zinc/08/88/57/630088857.db2.gz NRCHDMASOIBZHH-JTQLQIEISA-N 1 1 291.307 2.901 20 5 CFBDMO CSCCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000799161822 630281959 /nfs/dbraw/zinc/28/19/59/630281959.db2.gz DYWMNCDFXWUJMS-UHFFFAOYSA-N 1 1 294.380 2.587 20 5 CFBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841693210 631453438 /nfs/dbraw/zinc/45/34/38/631453438.db2.gz TYMOIQLRLCGJEV-VXGBXAGGSA-N 1 1 280.372 2.895 20 5 CFBDMO C[C@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843052961 631818055 /nfs/dbraw/zinc/81/80/55/631818055.db2.gz QOEOPSNHUZHVFB-JTQLQIEISA-N 1 1 297.786 2.807 20 5 CFBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251964 632045859 /nfs/dbraw/zinc/04/58/59/632045859.db2.gz YOMXLYMXQSXIQU-CABCVRRESA-N 1 1 292.379 2.995 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC23CCCC3)c1 ZINC000844277144 632152807 /nfs/dbraw/zinc/15/28/07/632152807.db2.gz ZLWANPPIRKGXKE-CQSZACIVSA-N 1 1 276.336 2.647 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1Cl ZINC000816667555 632509756 /nfs/dbraw/zinc/50/97/56/632509756.db2.gz PSYFXPBNEJCDMA-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1Cl ZINC000816667555 632509761 /nfs/dbraw/zinc/50/97/61/632509761.db2.gz PSYFXPBNEJCDMA-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000817370254 632615550 /nfs/dbraw/zinc/61/55/50/632615550.db2.gz ITYWHEWKAZXPFO-ZDUSSCGKSA-N 1 1 278.356 2.569 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805252 635865742 /nfs/dbraw/zinc/86/57/42/635865742.db2.gz LTLVHLGUCWOOQL-GFCCVEGCSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480676 633265167 /nfs/dbraw/zinc/26/51/67/633265167.db2.gz QGHCJAFVLSBROA-LBPRGKRZSA-N 1 1 286.335 2.900 20 5 CFBDMO C[C@H](O[NH+]=C(N)[C@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000848521951 633274577 /nfs/dbraw/zinc/27/45/77/633274577.db2.gz UTISFZNVHASRIC-PTRXPTGYSA-N 1 1 263.297 2.810 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000852771889 634830706 /nfs/dbraw/zinc/83/07/06/634830706.db2.gz JHZNWGQRALGUKX-GXTWGEPZSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000852771892 634830623 /nfs/dbraw/zinc/83/06/23/634830623.db2.gz JHZNWGQRALGUKX-OCCSQVGLSA-N 1 1 278.352 2.606 20 5 CFBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H]4C[C@H]4C3)c2)c1 ZINC000853575275 635039327 /nfs/dbraw/zinc/03/93/27/635039327.db2.gz CXWMGCWDLRGXQH-KBPBESRZSA-N 1 1 298.346 2.758 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1Cl ZINC000048857601 650280440 /nfs/dbraw/zinc/28/04/40/650280440.db2.gz BPSZHRXWAGKEJC-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1Cl ZINC000048857601 650280443 /nfs/dbraw/zinc/28/04/43/650280443.db2.gz BPSZHRXWAGKEJC-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2CO)ccc1Cl ZINC000048857604 650280822 /nfs/dbraw/zinc/28/08/22/650280822.db2.gz BPSZHRXWAGKEJC-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1Cl ZINC000048857604 650280825 /nfs/dbraw/zinc/28/08/25/650280825.db2.gz BPSZHRXWAGKEJC-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119000835 637457447 /nfs/dbraw/zinc/45/74/47/637457447.db2.gz SSXZMWRGMJRJNQ-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO NC(CCC(F)(F)F)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000863489113 637676422 /nfs/dbraw/zinc/67/64/22/637676422.db2.gz RPAFPOGTZPXUML-UHFFFAOYSA-N 1 1 291.229 2.936 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000119524063 637701288 /nfs/dbraw/zinc/70/12/88/637701288.db2.gz CPQRNNXENZCRFZ-LLVKDONJSA-N 1 1 274.324 2.634 20 5 CFBDMO CCc1[nH+]c(C)cn1CCOc1cccc([N+](=O)[O-])c1 ZINC000865392613 638304392 /nfs/dbraw/zinc/30/43/92/638304392.db2.gz KYKXWURAFVZZFF-UHFFFAOYSA-N 1 1 275.308 2.741 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCC=CO3)c2c1 ZINC000865709544 638527743 /nfs/dbraw/zinc/52/77/43/638527743.db2.gz XIFGEBOYKXFYIO-LBPRGKRZSA-N 1 1 285.303 2.670 20 5 CFBDMO C[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])CCC1(C)C ZINC000866112523 638742883 /nfs/dbraw/zinc/74/28/83/638742883.db2.gz DVWXSOWTZOHSSE-UHFFFAOYSA-N 1 1 281.331 2.654 20 5 CFBDMO Cc1cc(CO)cc(NCc2ccc(C)c([N+](=O)[O-])c2)[nH+]1 ZINC000866181333 638764820 /nfs/dbraw/zinc/76/48/20/638764820.db2.gz BXHBQFOLNKIRGW-UHFFFAOYSA-N 1 1 287.319 2.711 20 5 CFBDMO Cc1cnc(NC[C@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])c1 ZINC000866194367 638767283 /nfs/dbraw/zinc/76/72/83/638767283.db2.gz IKLVFAQUADVOAJ-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cnc(NC[C@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000866194367 638767286 /nfs/dbraw/zinc/76/72/86/638767286.db2.gz IKLVFAQUADVOAJ-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccnc(NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866195103 638767998 /nfs/dbraw/zinc/76/79/98/638767998.db2.gz NDDVGZLXWZWYEE-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccnc(NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866195103 638767999 /nfs/dbraw/zinc/76/79/99/638767999.db2.gz NDDVGZLXWZWYEE-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO CCCC[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121087497 638832041 /nfs/dbraw/zinc/83/20/41/638832041.db2.gz IVZMMJLGIIWGQG-UHFFFAOYSA-N 1 1 276.340 2.942 20 5 CFBDMO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1nccn1C ZINC000866540216 638838977 /nfs/dbraw/zinc/83/89/77/638838977.db2.gz LEYCJYLTBQZLRR-CYBMUJFWSA-N 1 1 288.351 2.878 20 5 CFBDMO Cc1cc(C)c(COC(=O)c2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000869314353 639166027 /nfs/dbraw/zinc/16/60/27/639166027.db2.gz KKOQFTOLPDULNA-UHFFFAOYSA-N 1 1 290.275 2.865 20 5 CFBDMO CCCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000079032883 650556808 /nfs/dbraw/zinc/55/68/08/650556808.db2.gz MHVNUPMOIIFTCL-UHFFFAOYSA-N 1 1 262.313 2.634 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000871759360 641442254 /nfs/dbraw/zinc/44/22/54/641442254.db2.gz JHLGHVNWBNQMJT-KOLCDFICSA-N 1 1 263.297 2.558 20 5 CFBDMO Cc1c(CO[NH+]=C(N)C2CCC2)cccc1[N+](=O)[O-] ZINC000871764996 641448127 /nfs/dbraw/zinc/44/81/27/641448127.db2.gz RSBKEMZLZKNCOA-UHFFFAOYSA-N 1 1 263.297 2.702 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)C2CCC2)ccc1[N+](=O)[O-] ZINC000871765569 641448201 /nfs/dbraw/zinc/44/82/01/641448201.db2.gz APDVPMHEEXNJRX-UHFFFAOYSA-N 1 1 293.323 2.792 20 5 CFBDMO C[C@H](NC[C@H](C)[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034518 641565482 /nfs/dbraw/zinc/56/54/82/641565482.db2.gz PJSWNVCXHKKSRP-QWRGUYRKSA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@@H]([NH2+]CCOC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057441 641590703 /nfs/dbraw/zinc/59/07/03/641590703.db2.gz YWVBJRVLDWCUTP-SNVBAGLBSA-N 1 1 282.315 2.954 20 5 CFBDMO C[C@H]([NH2+]CCOC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057439 641590855 /nfs/dbraw/zinc/59/08/55/641590855.db2.gz YWVBJRVLDWCUTP-JTQLQIEISA-N 1 1 282.315 2.954 20 5 CFBDMO C[C@H]([NH2+]CCOCC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872065374 641597811 /nfs/dbraw/zinc/59/78/11/641597811.db2.gz ZOVPEBRVMXUSSA-QMMMGPOBSA-N 1 1 292.257 2.666 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872779614 641933778 /nfs/dbraw/zinc/93/37/78/641933778.db2.gz HFSWPQNVKDPZEN-LSDHHAIUSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000873060297 641998233 /nfs/dbraw/zinc/99/82/33/641998233.db2.gz HOXQDKBHVXQYRA-TZMCWYRMSA-N 1 1 291.395 2.784 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCC[C@@H]1C ZINC000873064713 642000995 /nfs/dbraw/zinc/00/09/95/642000995.db2.gz GKFMJLJDDRRZRB-ZDUSSCGKSA-N 1 1 291.395 2.786 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCC[C@@H]1C ZINC000873064713 642000998 /nfs/dbraw/zinc/00/09/98/642000998.db2.gz GKFMJLJDDRRZRB-ZDUSSCGKSA-N 1 1 291.395 2.786 20 5 CFBDMO Cc1nocc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873146608 642031002 /nfs/dbraw/zinc/03/10/02/642031002.db2.gz NGZVWZXRPJBSMB-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCO[C@H](C)C1 ZINC000876684025 642971817 /nfs/dbraw/zinc/97/18/17/642971817.db2.gz GWZSUASWTDOMHV-GFCCVEGCSA-N 1 1 278.352 2.822 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877441060 643273574 /nfs/dbraw/zinc/27/35/74/643273574.db2.gz UYUULCGTZIOTBY-OAHLLOKOSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530706 643334613 /nfs/dbraw/zinc/33/46/13/643334613.db2.gz GDNMGPINBGDDIB-IUODEOHRSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530706 643334615 /nfs/dbraw/zinc/33/46/15/643334615.db2.gz GDNMGPINBGDDIB-IUODEOHRSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530706 643334619 /nfs/dbraw/zinc/33/46/19/643334619.db2.gz GDNMGPINBGDDIB-IUODEOHRSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739178 643504163 /nfs/dbraw/zinc/50/41/63/643504163.db2.gz RRKOYLYSMYNSAF-VXGBXAGGSA-N 1 1 296.367 2.919 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877754271 643534667 /nfs/dbraw/zinc/53/46/67/643534667.db2.gz ZPXGBPHJGRQYAV-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877754271 643534671 /nfs/dbraw/zinc/53/46/71/643534671.db2.gz ZPXGBPHJGRQYAV-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCC3CC3)C2)nc1 ZINC000878250862 643807932 /nfs/dbraw/zinc/80/79/32/643807932.db2.gz CQCGHRLWJVTQGL-CYBMUJFWSA-N 1 1 290.367 2.666 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000879626629 644355137 /nfs/dbraw/zinc/35/51/37/644355137.db2.gz ZJXBSYNZLCVKPN-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960750 644476642 /nfs/dbraw/zinc/47/66/42/644476642.db2.gz MHZYBLNNFWONTA-GFCCVEGCSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000880141243 644550997 /nfs/dbraw/zinc/55/09/97/644550997.db2.gz OJINHVAUIQXVIX-HUUCEWRRSA-N 1 1 289.379 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000880231963 644591855 /nfs/dbraw/zinc/59/18/55/644591855.db2.gz CGMXWFHPMCRVGW-GFCCVEGCSA-N 1 1 282.315 2.655 20 5 CFBDMO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000882660312 645403739 /nfs/dbraw/zinc/40/37/39/645403739.db2.gz NXVKFPVLHZGVSK-LLVKDONJSA-N 1 1 294.330 2.558 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000885972653 646790079 /nfs/dbraw/zinc/79/00/79/646790079.db2.gz HPBAHWVKIWJOCX-AWEZNQCLSA-N 1 1 283.331 2.979 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000886021480 646824477 /nfs/dbraw/zinc/82/44/77/646824477.db2.gz XHWIYVDRCNDXQC-DGCLKSJQSA-N 1 1 261.325 2.754 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000886123254 646882172 /nfs/dbraw/zinc/88/21/72/646882172.db2.gz VLACGRHFTJDBAH-LLVKDONJSA-N 1 1 263.341 2.858 20 5 CFBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181781 646911125 /nfs/dbraw/zinc/91/11/25/646911125.db2.gz TZVWLXFMDPQDHW-WPRPVWTQSA-N 1 1 289.257 2.763 20 5 CFBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181781 646911126 /nfs/dbraw/zinc/91/11/26/646911126.db2.gz TZVWLXFMDPQDHW-WPRPVWTQSA-N 1 1 289.257 2.763 20 5 CFBDMO C[C@@H]1Cc2c([nH+]cn2Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886225999 646929285 /nfs/dbraw/zinc/92/92/85/646929285.db2.gz FVNSYHQQUWZLNY-WDEREUQCSA-N 1 1 286.335 2.605 20 5 CFBDMO C[C@@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000886296871 646957194 /nfs/dbraw/zinc/95/71/94/646957194.db2.gz CKKPWKNHIMTHCP-NXEZZACHSA-N 1 1 285.294 2.713 20 5 CFBDMO COc1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886516702 647025899 /nfs/dbraw/zinc/02/58/99/647025899.db2.gz VEFYBAGFLRMXRN-CYBMUJFWSA-N 1 1 299.330 2.776 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832286 647155722 /nfs/dbraw/zinc/15/57/22/647155722.db2.gz FOMZYJUCOQBLIP-NHYWBVRUSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886830737 647155965 /nfs/dbraw/zinc/15/59/65/647155965.db2.gz WSUFURWINQSCBF-IUODEOHRSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140022 647228341 /nfs/dbraw/zinc/22/83/41/647228341.db2.gz NKYMBTQFMRLBOJ-LLVKDONJSA-N 1 1 297.330 2.522 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000923891084 647905935 /nfs/dbraw/zinc/90/59/35/647905935.db2.gz CKTHUBSWSZTBDB-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000923891084 647905937 /nfs/dbraw/zinc/90/59/37/647905937.db2.gz CKTHUBSWSZTBDB-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000924077380 647918520 /nfs/dbraw/zinc/91/85/20/647918520.db2.gz GHQCGZBGZUSSTH-LLVKDONJSA-N 1 1 296.371 2.603 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000924077380 647918524 /nfs/dbraw/zinc/91/85/24/647918524.db2.gz GHQCGZBGZUSSTH-LLVKDONJSA-N 1 1 296.371 2.603 20 5 CFBDMO C[C@@H](c1ncccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442883 649248505 /nfs/dbraw/zinc/24/85/05/649248505.db2.gz ZJNWRFDCHVLEHM-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@@H](c1ncccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442883 649248509 /nfs/dbraw/zinc/24/85/09/649248509.db2.gz ZJNWRFDCHVLEHM-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000930449006 649249917 /nfs/dbraw/zinc/24/99/17/649249917.db2.gz KRRIBPUVKOOHAY-JSGCOSHPSA-N 1 1 278.352 2.745 20 5 CFBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000930847774 649334826 /nfs/dbraw/zinc/33/48/26/649334826.db2.gz COJPGEDXONFFQJ-JTQLQIEISA-N 1 1 268.744 2.578 20 5 CFBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000930847774 649334831 /nfs/dbraw/zinc/33/48/31/649334831.db2.gz COJPGEDXONFFQJ-JTQLQIEISA-N 1 1 268.744 2.578 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000932886711 649657248 /nfs/dbraw/zinc/65/72/48/649657248.db2.gz GLYHUNUZDDDWBT-CHWSQXEVSA-N 1 1 291.351 2.902 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934301375 649770509 /nfs/dbraw/zinc/77/05/09/649770509.db2.gz FRHYEAYPYQNTDC-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000934778958 649830171 /nfs/dbraw/zinc/83/01/71/649830171.db2.gz RXQGTZMAKZHTQZ-HIFRSBDPSA-N 1 1 292.404 2.822 20 5 CFBDMO CCCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891448906 770621267 /nfs/dbraw/zinc/62/12/67/770621267.db2.gz GHNHZJVBHMWAHL-UHFFFAOYSA-N 1 1 268.313 2.541 20 5 CFBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001167172503 770123348 /nfs/dbraw/zinc/12/33/48/770123348.db2.gz YYWVODAMNBFUIB-UHFFFAOYSA-N 1 1 258.321 2.938 20 5 CFBDMO CC(C)(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001167355817 770365821 /nfs/dbraw/zinc/36/58/21/770365821.db2.gz BGCODBVMTPFODL-UHFFFAOYSA-N 1 1 250.342 2.811 20 5 CFBDMO Cc1cccc(O[C@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001225630986 775533164 /nfs/dbraw/zinc/53/31/64/775533164.db2.gz BUQZBVVKXGCLTF-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000694707231 775552706 /nfs/dbraw/zinc/55/27/06/775552706.db2.gz NYIATBZRQCMCAP-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000694707231 775552709 /nfs/dbraw/zinc/55/27/09/775552709.db2.gz NYIATBZRQCMCAP-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO COc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225769946 775587720 /nfs/dbraw/zinc/58/77/20/775587720.db2.gz QICOSTFIEUOXTE-CYBMUJFWSA-N 1 1 294.351 2.855 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)c1 ZINC001225804409 775598798 /nfs/dbraw/zinc/59/87/98/775598798.db2.gz SHTMUMLPKZWPBZ-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225904388 775629754 /nfs/dbraw/zinc/62/97/54/775629754.db2.gz CLPIOKVUCCZEKT-LLVKDONJSA-N 1 1 268.288 2.595 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225906760 775631040 /nfs/dbraw/zinc/63/10/40/775631040.db2.gz DWGXWZVHRPKBIN-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001226130748 775710246 /nfs/dbraw/zinc/71/02/46/775710246.db2.gz UDNXFBXDCFDPOS-URLYPYJESA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226194933 775734704 /nfs/dbraw/zinc/73/47/04/775734704.db2.gz GMQSXIJZOYOTEJ-QMMMGPOBSA-N 1 1 288.706 2.860 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226194933 775734710 /nfs/dbraw/zinc/73/47/10/775734710.db2.gz GMQSXIJZOYOTEJ-QMMMGPOBSA-N 1 1 288.706 2.860 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257471 775758602 /nfs/dbraw/zinc/75/86/02/775758602.db2.gz FLUNNTMOQRITJD-SNVBAGLBSA-N 1 1 285.731 2.506 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C2 ZINC001226365693 775792577 /nfs/dbraw/zinc/79/25/77/775792577.db2.gz FGTIFSQZSKAKBP-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1 ZINC001226763720 775952459 /nfs/dbraw/zinc/95/24/59/775952459.db2.gz AETVTPXJGIUFNP-JYAVWHMHSA-N 1 1 276.336 2.704 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001226811051 775973604 /nfs/dbraw/zinc/97/36/04/775973604.db2.gz VCQLRQSKQWYMIU-ZDUSSCGKSA-N 1 1 282.727 2.721 20 5 CFBDMO Cc1cc(OC2CC[NH+](CCF)CC2)ccc1[N+](=O)[O-] ZINC001226842314 775987635 /nfs/dbraw/zinc/98/76/35/775987635.db2.gz UHXQCWNWUFAQFZ-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226969697 776038344 /nfs/dbraw/zinc/03/83/44/776038344.db2.gz SURWPUVUDQSDPC-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1OC1C[NH+](C(C)(C)C)C1 ZINC001226994018 776052959 /nfs/dbraw/zinc/05/29/59/776052959.db2.gz BKFPVIRHWLBFNJ-UHFFFAOYSA-N 1 1 264.325 2.765 20 5 CFBDMO CCCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H](C)CC ZINC000123704487 776098739 /nfs/dbraw/zinc/09/87/39/776098739.db2.gz GNZREFYGOAREEQ-NSHDSACASA-N 1 1 254.334 2.649 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129334 776108354 /nfs/dbraw/zinc/10/83/54/776108354.db2.gz KDRVFLFECNOTOZ-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227211406 776138866 /nfs/dbraw/zinc/13/88/66/776138866.db2.gz PCRZODHQKKRHDF-LBPRGKRZSA-N 1 1 272.304 2.831 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228001306 776356758 /nfs/dbraw/zinc/35/67/58/776356758.db2.gz WTHICZCKVPTVNQ-VIFPVBQESA-N 1 1 293.710 2.839 20 5 CFBDMO Cc1cc(C)c(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001228238880 776432062 /nfs/dbraw/zinc/43/20/62/776432062.db2.gz XWFYZORIWSBDEX-LBPRGKRZSA-N 1 1 287.319 2.802 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005226 776685562 /nfs/dbraw/zinc/68/55/62/776685562.db2.gz FQSPBPVJBFEPJJ-CYBMUJFWSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[NH+]1CC(Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005518 776686296 /nfs/dbraw/zinc/68/62/96/776686296.db2.gz KJSKTYSLQXJPMF-UHFFFAOYSA-N 1 1 287.319 2.614 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115767 776723887 /nfs/dbraw/zinc/72/38/87/776723887.db2.gz RNMMMFXUSJLWRW-VSGCLNPGSA-N 1 1 276.336 2.796 20 5 CFBDMO CC[N@@H+]1CCC[C@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137345 776730887 /nfs/dbraw/zinc/73/08/87/776730887.db2.gz GBGZGVUWPLXAAV-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137345 776730894 /nfs/dbraw/zinc/73/08/94/776730894.db2.gz GBGZGVUWPLXAAV-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001229198791 776750172 /nfs/dbraw/zinc/75/01/72/776750172.db2.gz QEXSYHJUMFNOAZ-NSHDSACASA-N 1 1 268.288 2.515 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229202157 776750537 /nfs/dbraw/zinc/75/05/37/776750537.db2.gz WGGNQIXZOHBZNC-LBPRGKRZSA-N 1 1 282.315 2.905 20 5 CFBDMO Cc1ccc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001230143278 776955642 /nfs/dbraw/zinc/95/56/42/776955642.db2.gz ITVXGHVORXZJBX-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO CC[NH+](CC)C[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595922 777021687 /nfs/dbraw/zinc/02/16/87/777021687.db2.gz ODGIKDMKDJHTEV-JTQLQIEISA-N 1 1 292.339 2.580 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904466 777330268 /nfs/dbraw/zinc/33/02/68/777330268.db2.gz DMHVVTYZLQWHQM-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219677 777479129 /nfs/dbraw/zinc/47/91/29/777479129.db2.gz YFIUIZTWCQLZBD-GOSISDBHSA-N 1 1 293.370 2.740 20 5 CFBDMO OC[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221921 777481047 /nfs/dbraw/zinc/48/10/47/777481047.db2.gz MOGLDMKTFPHRIK-CYBMUJFWSA-N 1 1 293.370 2.597 20 5 CFBDMO COC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000696585127 777588866 /nfs/dbraw/zinc/58/88/66/777588866.db2.gz QMSOZTAAYZWRHE-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000696585127 777588870 /nfs/dbraw/zinc/58/88/70/777588870.db2.gz QMSOZTAAYZWRHE-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC(=O)c1cc(O[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233501436 777971322 /nfs/dbraw/zinc/97/13/22/777971322.db2.gz MRIKWGLYYIKPFE-ZDUSSCGKSA-N 1 1 292.335 2.659 20 5 CFBDMO O=[N+]([O-])c1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001233854340 778095970 /nfs/dbraw/zinc/09/59/70/778095970.db2.gz CODKUDWTPFIBED-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000697231047 778167561 /nfs/dbraw/zinc/16/75/61/778167561.db2.gz AFLBXDHXNOEZJL-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000697231047 778167566 /nfs/dbraw/zinc/16/75/66/778167566.db2.gz AFLBXDHXNOEZJL-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228755623 778193569 /nfs/dbraw/zinc/19/35/69/778193569.db2.gz KKZVIOGSMOKQMU-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229198660 778282033 /nfs/dbraw/zinc/28/20/33/778282033.db2.gz NVQNVIONFXYAFL-LLVKDONJSA-N 1 1 268.288 2.515 20 5 CFBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872626 778318517 /nfs/dbraw/zinc/31/85/17/778318517.db2.gz YSDGIPFYDRHFFF-CYBMUJFWSA-N 1 1 278.352 2.993 20 5 CFBDMO C[C@@H](O[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019826 778396497 /nfs/dbraw/zinc/39/64/97/778396497.db2.gz MVJPJQKTRPSABN-BXUZGUMPSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1c(NC2C[NH+](C(C)C)C2)cc(F)cc1[N+](=O)[O-] ZINC001168315145 778426602 /nfs/dbraw/zinc/42/66/02/778426602.db2.gz GWGUEOHDZJBODR-UHFFFAOYSA-N 1 1 267.304 2.547 20 5 CFBDMO Cc1noc(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502036 349433314 /nfs/dbraw/zinc/43/33/14/349433314.db2.gz BNWCZHONEVKEGF-CQSZACIVSA-N 1 1 287.319 2.977 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594546602 349444898 /nfs/dbraw/zinc/44/48/98/349444898.db2.gz UKKIJWWIPMZAIP-VXGBXAGGSA-N 1 1 291.351 2.642 20 5 CFBDMO Cc1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599254 349456844 /nfs/dbraw/zinc/45/68/44/349456844.db2.gz INKCVVJLBUVZED-QWHCGFSZSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594980764 349538190 /nfs/dbraw/zinc/53/81/90/349538190.db2.gz RQCBUKLWPCFTNF-CQSZACIVSA-N 1 1 291.395 2.805 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000595025996 349554578 /nfs/dbraw/zinc/55/45/78/349554578.db2.gz MCUNCZKMBQIQAW-AAEUAGOBSA-N 1 1 286.335 2.977 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067948940 346829114 /nfs/dbraw/zinc/82/91/14/346829114.db2.gz XJJUSRQBQKGSTG-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595315129 349600248 /nfs/dbraw/zinc/60/02/48/349600248.db2.gz XUTXHBGZMMOJCA-UHFFFAOYSA-N 1 1 284.331 2.574 20 5 CFBDMO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000595331266 349603343 /nfs/dbraw/zinc/60/33/43/349603343.db2.gz OOJXVAHCHIBIEC-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO CO[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595288303 349591047 /nfs/dbraw/zinc/59/10/47/349591047.db2.gz NKCDJOCIYKCAON-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595290784 349591817 /nfs/dbraw/zinc/59/18/17/349591817.db2.gz YXDBKFXBLPSOIH-JTQLQIEISA-N 1 1 253.302 2.513 20 5 CFBDMO CC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595290785 349592495 /nfs/dbraw/zinc/59/24/95/349592495.db2.gz YXDBKFXBLPSOIH-SNVBAGLBSA-N 1 1 253.302 2.513 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595343787 349606044 /nfs/dbraw/zinc/60/60/44/349606044.db2.gz DWIPABPWLWFWKI-VIFPVBQESA-N 1 1 255.318 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000595338155 349605118 /nfs/dbraw/zinc/60/51/18/349605118.db2.gz GENXUGZGYNVSIT-PHIMTYICSA-N 1 1 264.300 2.966 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595396642 349616369 /nfs/dbraw/zinc/61/63/69/349616369.db2.gz NQXJFIQSKBFVDP-ZJUUUORDSA-N 1 1 267.329 2.759 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595403790 349617271 /nfs/dbraw/zinc/61/72/71/349617271.db2.gz IJEUAHROGLFCOF-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595424131 349621403 /nfs/dbraw/zinc/62/14/03/349621403.db2.gz FPSRMTBWDYCLIJ-WCQGTBRESA-N 1 1 279.340 2.902 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1CCC1)CC2 ZINC000595425951 349621446 /nfs/dbraw/zinc/62/14/46/349621446.db2.gz WGJGGGNFBKVQPM-UHFFFAOYSA-N 1 1 261.325 2.538 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000269636646 190525416 /nfs/dbraw/zinc/52/54/16/190525416.db2.gz HOPQGRWBFQPSRZ-WFASDCNBSA-N 1 1 280.368 2.995 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595440248 349626709 /nfs/dbraw/zinc/62/67/09/349626709.db2.gz OJAGJGHKLDKQOM-VIFPVBQESA-N 1 1 253.302 2.513 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447351 349628692 /nfs/dbraw/zinc/62/86/92/349628692.db2.gz CINQYVONBZFKPQ-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449284 349629928 /nfs/dbraw/zinc/62/99/28/349629928.db2.gz OOTOOPSIHCXHBO-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449284 349629933 /nfs/dbraw/zinc/62/99/33/349629933.db2.gz OOTOOPSIHCXHBO-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO Cc1noc(C[NH+]2CCC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000595484859 349640204 /nfs/dbraw/zinc/64/02/04/349640204.db2.gz SLGPNVWHWIRULG-UHFFFAOYSA-N 1 1 265.313 2.657 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)c(F)c1 ZINC000595533569 349651828 /nfs/dbraw/zinc/65/18/28/349651828.db2.gz LQWPYRPYECFPPC-UHFFFAOYSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1noc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595548835 349657337 /nfs/dbraw/zinc/65/73/37/349657337.db2.gz ABOSXCHCWZPCHP-NSHDSACASA-N 1 1 297.380 2.609 20 5 CFBDMO Cc1noc(C[N@H+]2CCSC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595548835 349657338 /nfs/dbraw/zinc/65/73/38/349657338.db2.gz ABOSXCHCWZPCHP-NSHDSACASA-N 1 1 297.380 2.609 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595550728 349657417 /nfs/dbraw/zinc/65/74/17/349657417.db2.gz SRIPGZIVLDSZGT-RKDXNWHRSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595550728 349657420 /nfs/dbraw/zinc/65/74/20/349657420.db2.gz SRIPGZIVLDSZGT-RKDXNWHRSA-N 1 1 253.302 2.512 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000595643196 349687672 /nfs/dbraw/zinc/68/76/72/349687672.db2.gz VHRAPGZILAXTFZ-UHFFFAOYSA-N 1 1 292.383 2.838 20 5 CFBDMO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000595669248 349694401 /nfs/dbraw/zinc/69/44/01/349694401.db2.gz ULNWLSBARLASJI-SNVBAGLBSA-N 1 1 293.348 2.781 20 5 CFBDMO Cc1c(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678657 349698369 /nfs/dbraw/zinc/69/83/69/349698369.db2.gz SIQLMVYWDGHIBV-DOMZBBRYSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672277 349695499 /nfs/dbraw/zinc/69/54/99/349695499.db2.gz XYFYBPCIWJFJAQ-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000126009450 187210957 /nfs/dbraw/zinc/21/09/57/187210957.db2.gz PUOMAIGVDOBXJS-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755861 349725235 /nfs/dbraw/zinc/72/52/35/349725235.db2.gz DWYJOWYQYNRDQF-JMSVASOKSA-N 1 1 276.336 2.624 20 5 CFBDMO CCC1(CC)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595752419 349723943 /nfs/dbraw/zinc/72/39/43/349723943.db2.gz LYDUDCGOLLPBBV-UHFFFAOYSA-N 1 1 280.372 2.694 20 5 CFBDMO Cc1c(C[N@@H+](C)CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000595752525 349724394 /nfs/dbraw/zinc/72/43/94/349724394.db2.gz MKLUXKQXUJEPHD-UHFFFAOYSA-N 1 1 276.336 2.682 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595830784 349744754 /nfs/dbraw/zinc/74/47/54/349744754.db2.gz LVMOYXGGCMCEKV-IHRRRGAJSA-N 1 1 290.363 2.933 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781924 349731755 /nfs/dbraw/zinc/73/17/55/349731755.db2.gz WFXXYELAINHPIE-NEPJUHHUSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595868323 349758035 /nfs/dbraw/zinc/75/80/35/349758035.db2.gz AVVLSAJVEJVFEX-YWPYICTPSA-N 1 1 278.352 2.606 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2CC1(C)C2 ZINC000595920254 349770249 /nfs/dbraw/zinc/77/02/49/349770249.db2.gz PEDWQLAWWBNYAV-UHFFFAOYSA-N 1 1 262.309 2.588 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596090338 349792087 /nfs/dbraw/zinc/79/20/87/349792087.db2.gz BYWUIKBHFIJCIG-LLVKDONJSA-N 1 1 298.346 2.792 20 5 CFBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])s1 ZINC000596144165 349807315 /nfs/dbraw/zinc/80/73/15/349807315.db2.gz BCRSHACLDRSOMF-MNOVXSKESA-N 1 1 281.381 2.638 20 5 CFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697719 346936822 /nfs/dbraw/zinc/93/68/22/346936822.db2.gz AFWKYNZOQIKRMK-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](SC)C1 ZINC000295036440 199313370 /nfs/dbraw/zinc/31/33/70/199313370.db2.gz MEFVJOZINHEFAU-CYBMUJFWSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1ccnc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596309337 349859423 /nfs/dbraw/zinc/85/94/23/349859423.db2.gz YZRLAXLZCMMVMK-GFCCVEGCSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337421 349869254 /nfs/dbraw/zinc/86/92/54/349869254.db2.gz WXGJPFRYYWPTRF-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO Cc1cc(NCC[NH+]2Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074744304 347030339 /nfs/dbraw/zinc/03/03/39/347030339.db2.gz SJMMGSVSKPBIDG-UHFFFAOYSA-N 1 1 298.346 2.726 20 5 CFBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596480138 349914681 /nfs/dbraw/zinc/91/46/81/349914681.db2.gz WEUNXRLEWHCHJK-GFCCVEGCSA-N 1 1 290.367 2.809 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064949 /nfs/dbraw/zinc/06/49/49/530064949.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 1 1 289.379 2.511 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000413441654 530054957 /nfs/dbraw/zinc/05/49/57/530054957.db2.gz PYOWBEIATGMBIH-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000413433334 530061219 /nfs/dbraw/zinc/06/12/19/530061219.db2.gz DGSYESZABNXIAB-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000596518484 349927832 /nfs/dbraw/zinc/92/78/32/349927832.db2.gz UXPQIUHXMYHKAH-VIFPVBQESA-N 1 1 255.343 2.553 20 5 CFBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570046 349944032 /nfs/dbraw/zinc/94/40/32/349944032.db2.gz HZXMYULENHOZFF-CYBMUJFWSA-N 1 1 290.367 2.524 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016880843 346239503 /nfs/dbraw/zinc/23/95/03/346239503.db2.gz HFSZLKADVKANGY-LLVKDONJSA-N 1 1 292.335 2.693 20 5 CFBDMO CCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000024165789 346255025 /nfs/dbraw/zinc/25/50/25/346255025.db2.gz XMHDGHVLAOQCRA-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000030269538 346287543 /nfs/dbraw/zinc/28/75/43/346287543.db2.gz SNBDDMUAQCOWEH-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046092590 346419937 /nfs/dbraw/zinc/41/99/37/346419937.db2.gz ZMCUDDRWTHMKKM-ZDUSSCGKSA-N 1 1 276.336 2.596 20 5 CFBDMO CC(C)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000052246234 346518343 /nfs/dbraw/zinc/51/83/43/346518343.db2.gz PAGZSVSVKVANGJ-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076112987 347122571 /nfs/dbraw/zinc/12/25/71/347122571.db2.gz IVCBFDQFGVMUFT-TXEJJXNPSA-N 1 1 264.325 2.561 20 5 CFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000076744718 347151228 /nfs/dbraw/zinc/15/12/28/347151228.db2.gz XIMMZWWQXUFPRE-NEPJUHHUSA-N 1 1 278.356 2.665 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C(C)C ZINC000085862161 179190730 /nfs/dbraw/zinc/19/07/30/179190730.db2.gz GAZKSGWNQKTLGO-UHFFFAOYSA-N 1 1 296.367 2.585 20 5 CFBDMO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000078526749 347260071 /nfs/dbraw/zinc/26/00/71/347260071.db2.gz GPHKPAVGFRSEJV-ZDUSSCGKSA-N 1 1 290.367 2.666 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078583820 347263489 /nfs/dbraw/zinc/26/34/89/347263489.db2.gz LGHSVVPFWPHYPR-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cnc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078630538 347266591 /nfs/dbraw/zinc/26/65/91/347266591.db2.gz AEFYKAYCFACEIR-QWHCGFSZSA-N 1 1 292.383 2.973 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000079914513 347331304 /nfs/dbraw/zinc/33/13/04/347331304.db2.gz HWHZTPYRRGIAJK-GFCCVEGCSA-N 1 1 263.341 2.881 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080606260 347369595 /nfs/dbraw/zinc/36/95/95/347369595.db2.gz XONLDAUCRXTRLW-CQSZACIVSA-N 1 1 289.379 2.763 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000080653653 347372597 /nfs/dbraw/zinc/37/25/97/347372597.db2.gz OAAHVPZWBUSESB-OCCSQVGLSA-N 1 1 275.352 2.576 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480187 347589243 /nfs/dbraw/zinc/58/92/43/347589243.db2.gz COOVSPUNEWZCHT-SNVBAGLBSA-N 1 1 290.298 2.841 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000092622015 347635268 /nfs/dbraw/zinc/63/52/68/347635268.db2.gz JGRLMUHPRQEYOW-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO CC(C)c1ccc(C[N@H+](C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000093481538 347676612 /nfs/dbraw/zinc/67/66/12/347676612.db2.gz YKJMAVJSJGLYBW-LBPRGKRZSA-N 1 1 280.368 2.921 20 5 CFBDMO CCOc1cc(N[C@H]2CCC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000111047620 347751534 /nfs/dbraw/zinc/75/15/34/347751534.db2.gz QHMAKNAGGKYNCO-ZDUSSCGKSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122864162 347817222 /nfs/dbraw/zinc/81/72/22/347817222.db2.gz POBSZOAHIJUSJP-NEPJUHHUSA-N 1 1 275.352 2.940 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c(Cl)c1 ZINC000157088089 347997716 /nfs/dbraw/zinc/99/77/16/347997716.db2.gz QBESTIFNJCHILS-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000173550941 348108986 /nfs/dbraw/zinc/10/89/86/348108986.db2.gz AUYSAGZCDLTVSI-UHFFFAOYSA-N 1 1 296.367 2.960 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000413052498 233011617 /nfs/dbraw/zinc/01/16/17/233011617.db2.gz HSHZLAKIKWEKQE-WDEREUQCSA-N 1 1 296.346 2.804 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339750920 539633746 /nfs/dbraw/zinc/63/37/46/539633746.db2.gz QBLCRWQFGDCPJA-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339750920 539633750 /nfs/dbraw/zinc/63/37/50/539633750.db2.gz QBLCRWQFGDCPJA-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO COc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000314876157 348427987 /nfs/dbraw/zinc/42/79/87/348427987.db2.gz GKYBSGZITQDERK-JTQLQIEISA-N 1 1 299.346 2.883 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000590141949 348877564 /nfs/dbraw/zinc/87/75/64/348877564.db2.gz VZSGEIQIZIOUIV-CYBMUJFWSA-N 1 1 281.381 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000590598846 348913163 /nfs/dbraw/zinc/91/31/63/348913163.db2.gz CFNHZLSOOKLYPM-OAHLLOKOSA-N 1 1 283.331 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000590969240 348974812 /nfs/dbraw/zinc/97/48/12/348974812.db2.gz ZLJQQNVHWBGDDU-UHFFFAOYSA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c(F)c1 ZINC000591480126 349026951 /nfs/dbraw/zinc/02/69/51/349026951.db2.gz QWBWQPBSVRBWFK-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c(F)c1 ZINC000591480126 349026953 /nfs/dbraw/zinc/02/69/53/349026953.db2.gz QWBWQPBSVRBWFK-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593116753 349212959 /nfs/dbraw/zinc/21/29/59/349212959.db2.gz HSQSPUXEKLRMIG-CYBMUJFWSA-N 1 1 298.289 2.835 20 5 CFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593069376 349201493 /nfs/dbraw/zinc/20/14/93/349201493.db2.gz REDULWFPRAIVEP-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCCn3ccnc32)cccc1[N+](=O)[O-] ZINC000594501351 349431796 /nfs/dbraw/zinc/43/17/96/349431796.db2.gz UNSDIHHXWAUBDB-ZDUSSCGKSA-N 1 1 286.335 2.724 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCCn3ccnc32)cccc1[N+](=O)[O-] ZINC000594501346 349432255 /nfs/dbraw/zinc/43/22/55/349432255.db2.gz UNSDIHHXWAUBDB-CYBMUJFWSA-N 1 1 286.335 2.724 20 5 CFBDMO 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CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443793706 241090270 /nfs/dbraw/zinc/09/02/70/241090270.db2.gz YIRACXHQPBWVOH-GHJWDPDVSA-N 1 1 292.379 2.885 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000444681839 241166677 /nfs/dbraw/zinc/16/66/77/241166677.db2.gz XEDWRSDGBDAABV-QMTHXVAHSA-N 1 1 286.335 2.846 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000447053682 241346897 /nfs/dbraw/zinc/34/68/97/241346897.db2.gz FUEWDWKHBKJNED-ZDUSSCGKSA-N 1 1 275.352 2.576 20 5 CFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000449590764 242052188 /nfs/dbraw/zinc/05/21/88/242052188.db2.gz VSRGTGWWPJKIOQ-LLVKDONJSA-N 1 1 286.397 2.885 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449550312 242021473 /nfs/dbraw/zinc/02/14/73/242021473.db2.gz CONCDCDAVOYTAQ-IIAWOOMASA-N 1 1 290.363 2.578 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000450218126 242312842 /nfs/dbraw/zinc/31/28/42/242312842.db2.gz SLMNNKODLVEFCF-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908295 203377078 /nfs/dbraw/zinc/37/70/78/203377078.db2.gz OJUPTKQNOHCPEA-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459801082 245335254 /nfs/dbraw/zinc/33/52/54/245335254.db2.gz XDNMAJVMLBNLKI-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000003538844 371807561 /nfs/dbraw/zinc/80/75/61/371807561.db2.gz GNRWLIYGJLSOHE-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000003538844 371807568 /nfs/dbraw/zinc/80/75/68/371807568.db2.gz GNRWLIYGJLSOHE-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020089798 372228164 /nfs/dbraw/zinc/22/81/64/372228164.db2.gz PRSVLBPISSHHFR-LBPRGKRZSA-N 1 1 265.357 2.587 20 5 CFBDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030141980 372390215 /nfs/dbraw/zinc/39/02/15/372390215.db2.gz KDCQSHWDFAEZPL-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030141980 372390220 /nfs/dbraw/zinc/39/02/20/372390220.db2.gz KDCQSHWDFAEZPL-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000036834387 372601041 /nfs/dbraw/zinc/60/10/41/372601041.db2.gz IOHXPFYTNQUHDC-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000036834387 372601043 /nfs/dbraw/zinc/60/10/43/372601043.db2.gz IOHXPFYTNQUHDC-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000040771796 372786889 /nfs/dbraw/zinc/78/68/89/372786889.db2.gz MIEWZGJDQWACIC-AWEZNQCLSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042492948 372928775 /nfs/dbraw/zinc/92/87/75/372928775.db2.gz AXLAMIQOYCGLCQ-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042492948 372928785 /nfs/dbraw/zinc/92/87/85/372928785.db2.gz AXLAMIQOYCGLCQ-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042492947 372928997 /nfs/dbraw/zinc/92/89/97/372928997.db2.gz NUQWVLJYXAIDCR-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000063493883 373806719 /nfs/dbraw/zinc/80/67/19/373806719.db2.gz GJKOZPXBMNZWKN-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000571448457 383695371 /nfs/dbraw/zinc/69/53/71/383695371.db2.gz IFUSQOTYWGORQL-UHFFFAOYSA-N 1 1 280.368 2.888 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000068451174 374030180 /nfs/dbraw/zinc/03/01/80/374030180.db2.gz MZAXNDZNIDCLTH-SNVBAGLBSA-N 1 1 290.323 2.875 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000069081741 374044821 /nfs/dbraw/zinc/04/48/21/374044821.db2.gz MAIHZIORCCLLCT-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCCc1[nH+]ccn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070424792 374173089 /nfs/dbraw/zinc/17/30/89/374173089.db2.gz STOXYEOEBXPVBA-UHFFFAOYSA-N 1 1 273.292 2.627 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000070479247 374188125 /nfs/dbraw/zinc/18/81/25/374188125.db2.gz OYCCOTVUMVZFKH-GHMZBOCLSA-N 1 1 272.308 2.797 20 5 CFBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072828310 374289426 /nfs/dbraw/zinc/28/94/26/374289426.db2.gz NBPBTTSVWSTJBG-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072859926 374294825 /nfs/dbraw/zinc/29/48/25/374294825.db2.gz VKUKQKJWRFFECO-CQSZACIVSA-N 1 1 291.395 2.677 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096211 374684859 /nfs/dbraw/zinc/68/48/59/374684859.db2.gz MLRAUKWBLTUSEO-DGCLKSJQSA-N 1 1 297.424 2.818 20 5 CFBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000089512577 374916406 /nfs/dbraw/zinc/91/64/06/374916406.db2.gz MQPKHHIZGRYGMB-CYBMUJFWSA-N 1 1 274.324 2.569 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSCC1 ZINC000089983709 374981289 /nfs/dbraw/zinc/98/12/89/374981289.db2.gz HMMKREMVMXGKHA-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSCC1 ZINC000089983709 374981295 /nfs/dbraw/zinc/98/12/95/374981295.db2.gz HMMKREMVMXGKHA-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000089937751 374971971 /nfs/dbraw/zinc/97/19/71/374971971.db2.gz LJILOJBUHDXMDX-GFCCVEGCSA-N 1 1 282.365 2.541 20 5 CFBDMO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672420 375138096 /nfs/dbraw/zinc/13/80/96/375138096.db2.gz FQADMQIJJVVPTD-WCQYABFASA-N 1 1 275.352 2.940 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451785153 383707308 /nfs/dbraw/zinc/70/73/08/383707308.db2.gz VBWVKUQBGPIWPP-LLVKDONJSA-N 1 1 298.358 2.963 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451785153 383707312 /nfs/dbraw/zinc/70/73/12/383707312.db2.gz VBWVKUQBGPIWPP-LLVKDONJSA-N 1 1 298.358 2.963 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000093214811 375195827 /nfs/dbraw/zinc/19/58/27/375195827.db2.gz HWODEEVOLQUFFW-WCFLWFBJSA-N 1 1 263.341 2.515 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093337472 375215631 /nfs/dbraw/zinc/21/56/31/375215631.db2.gz DUDZVICRIQAUST-LHRNQBEKSA-N 1 1 290.363 2.966 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093838736 375318583 /nfs/dbraw/zinc/31/85/83/375318583.db2.gz VWVAWWMWPGDJPV-HZRUHFOJSA-N 1 1 290.363 2.966 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268576 375484150 /nfs/dbraw/zinc/48/41/50/375484150.db2.gz DRINAABIZGHVIV-INIZCTEOSA-N 1 1 289.379 2.513 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000501796367 247107163 /nfs/dbraw/zinc/10/71/63/247107163.db2.gz SOLBHWGVAXHNIJ-QWHCGFSZSA-N 1 1 278.352 2.952 20 5 CFBDMO COCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000112353818 375910866 /nfs/dbraw/zinc/91/08/66/375910866.db2.gz CYCUFJGLCTZBPN-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO CC(C)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655151 375940863 /nfs/dbraw/zinc/94/08/63/375940863.db2.gz OZKHUSYAOCVPOY-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112660126 375941181 /nfs/dbraw/zinc/94/11/81/375941181.db2.gz KYRLBVDQJBVNRU-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CCCCC[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000114563083 376074762 /nfs/dbraw/zinc/07/47/62/376074762.db2.gz OVMLDQUCBNZKCH-UHFFFAOYSA-N 1 1 280.368 2.622 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000118415434 376295939 /nfs/dbraw/zinc/29/59/39/376295939.db2.gz XHVNYGDVJSNQFP-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000118415434 376295942 /nfs/dbraw/zinc/29/59/42/376295942.db2.gz XHVNYGDVJSNQFP-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000118415049 376296110 /nfs/dbraw/zinc/29/61/10/376296110.db2.gz JXKZVLRJUIPPHT-NEPJUHHUSA-N 1 1 280.393 2.963 20 5 CFBDMO C[C@@H]1SCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118419788 376297696 /nfs/dbraw/zinc/29/76/96/376297696.db2.gz ZYECARBVOACRHO-RYUDHWBXSA-N 1 1 296.392 2.799 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000264032399 190089658 /nfs/dbraw/zinc/08/96/58/190089658.db2.gz PUZTYOKBEMPIPI-MRXNPFEDSA-N 1 1 286.331 2.760 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000264032399 190089659 /nfs/dbraw/zinc/08/96/59/190089659.db2.gz PUZTYOKBEMPIPI-MRXNPFEDSA-N 1 1 286.331 2.760 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1F 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CVOUJDQDKDAUOT-RYUDHWBXSA-N 1 1 277.368 2.728 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCOC(C)C ZINC000265847294 190212367 /nfs/dbraw/zinc/21/23/67/190212367.db2.gz HMKPNZQVISXBNV-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000134824032 378051437 /nfs/dbraw/zinc/05/14/37/378051437.db2.gz GTZOIMVGTYOPLJ-QWRGUYRKSA-N 1 1 293.367 2.549 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CC1 ZINC000135302785 378113312 /nfs/dbraw/zinc/11/33/12/378113312.db2.gz DJCKNARZXYEWBS-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000135447233 378133235 /nfs/dbraw/zinc/13/32/35/378133235.db2.gz BRZPEZVSEPFUIA-CQSZACIVSA-N 1 1 280.393 2.965 20 5 CFBDMO CC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135590358 378146353 /nfs/dbraw/zinc/14/63/53/378146353.db2.gz HUPLDILHORWKKV-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135590358 378146360 /nfs/dbraw/zinc/14/63/60/378146360.db2.gz HUPLDILHORWKKV-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000153360910 378488188 /nfs/dbraw/zinc/48/81/88/378488188.db2.gz RGHOVDZXXODPQA-OKILXGFUSA-N 1 1 260.337 2.869 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154438773 378568211 /nfs/dbraw/zinc/56/82/11/378568211.db2.gz HQNVFVUIPWUNTH-AWEZNQCLSA-N 1 1 278.352 2.639 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331499466 378697061 /nfs/dbraw/zinc/69/70/61/378697061.db2.gz NSAYKZHCVZVETN-JTQLQIEISA-N 1 1 274.324 2.846 20 5 CFBDMO CC(C)(C)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000331311472 378667358 /nfs/dbraw/zinc/66/73/58/378667358.db2.gz GXORYMTVQPBKJL-OAHLLOKOSA-N 1 1 292.379 2.884 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000266239393 190242528 /nfs/dbraw/zinc/24/25/28/190242528.db2.gz LAFDTUCSSLRYEM-ZJUUUORDSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262607 378963050 /nfs/dbraw/zinc/96/30/50/378963050.db2.gz RFWFKGHLCYYWFV-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262607 378963057 /nfs/dbraw/zinc/96/30/57/378963057.db2.gz RFWFKGHLCYYWFV-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000266886444 190287814 /nfs/dbraw/zinc/28/78/14/190287814.db2.gz CFDLFTBZUITMBF-ZDUSSCGKSA-N 1 1 292.364 2.690 20 5 CFBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266915200 190289966 /nfs/dbraw/zinc/28/99/66/190289966.db2.gz MRNXMSPRIYRJCN-ZDUSSCGKSA-N 1 1 288.351 2.527 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063491 190300395 /nfs/dbraw/zinc/30/03/95/190300395.db2.gz UGERMZIOVZDIHQ-LSDHHAIUSA-N 1 1 296.342 2.859 20 5 CFBDMO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267002193 190296275 /nfs/dbraw/zinc/29/62/75/190296275.db2.gz DHXXYPCOAWEFDI-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCOC1 ZINC000267464654 190332411 /nfs/dbraw/zinc/33/24/11/190332411.db2.gz WCIMWSRMVCDUHV-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986395 379811171 /nfs/dbraw/zinc/81/11/71/379811171.db2.gz DEIFZJOWUGTCRH-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986395 379811173 /nfs/dbraw/zinc/81/11/73/379811173.db2.gz DEIFZJOWUGTCRH-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000175166213 380011606 /nfs/dbraw/zinc/01/16/06/380011606.db2.gz BWAALWVAJWJGCG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H](C)C1 ZINC000175166213 380011610 /nfs/dbraw/zinc/01/16/10/380011610.db2.gz BWAALWVAJWJGCG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccnc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268278583 190392022 /nfs/dbraw/zinc/39/20/22/190392022.db2.gz VTXARGXXQDCGTG-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000178172474 380418071 /nfs/dbraw/zinc/41/80/71/380418071.db2.gz NLCBDUUUZFWUQK-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000367905943 380852827 /nfs/dbraw/zinc/85/28/27/380852827.db2.gz CVCGWVOWBTYASK-LLVKDONJSA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000367905943 380852831 /nfs/dbraw/zinc/85/28/31/380852831.db2.gz CVCGWVOWBTYASK-LLVKDONJSA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000368097471 380921817 /nfs/dbraw/zinc/92/18/17/380921817.db2.gz JYMHCFFXORQRDY-UHFFFAOYSA-N 1 1 290.363 2.906 20 5 CFBDMO Cc1ccc(C[N@@H+](C(C)C)C2COC2)cc1[N+](=O)[O-] ZINC000295574186 380950872 /nfs/dbraw/zinc/95/08/72/380950872.db2.gz AYNPDXMFNVKIIZ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1ccc(C[N@H+](C(C)C)C2COC2)cc1[N+](=O)[O-] ZINC000295574186 380950882 /nfs/dbraw/zinc/95/08/82/380950882.db2.gz AYNPDXMFNVKIIZ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@@]1(F)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295556018 380938570 /nfs/dbraw/zinc/93/85/70/380938570.db2.gz XLWGBQWGRAAMRW-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@@]1(F)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295556018 380938573 /nfs/dbraw/zinc/93/85/73/380938573.db2.gz XLWGBQWGRAAMRW-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO C[N@@H+](CCNc1nccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000295641809 380991405 /nfs/dbraw/zinc/99/14/05/380991405.db2.gz YLCRLJNFYNUJJD-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411935432 381062931 /nfs/dbraw/zinc/06/29/31/381062931.db2.gz HZOJHTRLZLEHTM-NVXWUHKLSA-N 1 1 298.342 2.903 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341529055 381067253 /nfs/dbraw/zinc/06/72/53/381067253.db2.gz HIBHHRPWVFCMIH-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411949009 381069138 /nfs/dbraw/zinc/06/91/38/381069138.db2.gz QEJOXYJAEJFJAN-SJORKVTESA-N 1 1 298.342 2.903 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)s1 ZINC000347550926 381216815 /nfs/dbraw/zinc/21/68/15/381216815.db2.gz FTKSOPOICZIKIK-VIFPVBQESA-N 1 1 294.380 2.857 20 5 CFBDMO COc1cc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC000347545905 381214508 /nfs/dbraw/zinc/21/45/08/381214508.db2.gz WDFHRRXSQKSZLP-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000359084497 381255434 /nfs/dbraw/zinc/25/54/34/381255434.db2.gz RBUKELKIBGVHPR-GXFFZTMASA-N 1 1 290.367 2.501 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359086010 381256786 /nfs/dbraw/zinc/25/67/86/381256786.db2.gz UUVFYGZJTVKBLJ-GFCCVEGCSA-N 1 1 280.372 2.749 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000359086523 381257041 /nfs/dbraw/zinc/25/70/41/381257041.db2.gz VGDABDNJURSKFP-CYBMUJFWSA-N 1 1 292.383 2.893 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CCOCC1 ZINC000183337657 381258107 /nfs/dbraw/zinc/25/81/07/381258107.db2.gz KOWJJYIJNCXQDT-UHFFFAOYSA-N 1 1 278.352 2.762 20 5 CFBDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617265 381259340 /nfs/dbraw/zinc/25/93/40/381259340.db2.gz NSXBVTJJXBQJSJ-RYUDHWBXSA-N 1 1 294.399 2.975 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC12CCC2 ZINC000183356428 381260366 /nfs/dbraw/zinc/26/03/66/381260366.db2.gz IMMFRDNOROEDNB-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC12CCC2 ZINC000183356428 381260376 /nfs/dbraw/zinc/26/03/76/381260376.db2.gz IMMFRDNOROEDNB-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1F ZINC000342300086 381260838 /nfs/dbraw/zinc/26/08/38/381260838.db2.gz AJMGLTWQLSMADD-SNVBAGLBSA-N 1 1 292.314 2.627 20 5 CFBDMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000289933039 381223336 /nfs/dbraw/zinc/22/33/36/381223336.db2.gz VHBICFSDSBXKQN-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000289933039 381223344 /nfs/dbraw/zinc/22/33/44/381223344.db2.gz VHBICFSDSBXKQN-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000347667928 381287194 /nfs/dbraw/zinc/28/71/94/381287194.db2.gz HLFJRSIMPXSRLH-INIZCTEOSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000347688667 381298963 /nfs/dbraw/zinc/29/89/63/381298963.db2.gz RDBSCHSMKDWICO-OAHLLOKOSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000342334675 381282031 /nfs/dbraw/zinc/28/20/31/381282031.db2.gz LJHGLLZBOSMBCT-LBPRGKRZSA-N 1 1 288.351 2.796 20 5 CFBDMO C[N@H+](CC[C@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000342573571 381406966 /nfs/dbraw/zinc/40/69/66/381406966.db2.gz VKRJQVQPYUJYBJ-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000342573571 381406971 /nfs/dbraw/zinc/40/69/71/381406971.db2.gz VKRJQVQPYUJYBJ-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184253722 381393974 /nfs/dbraw/zinc/39/39/74/381393974.db2.gz RGXIDJOZOBUFDA-SECBINFHSA-N 1 1 270.304 2.973 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](O)CC1 ZINC000354744989 381433209 /nfs/dbraw/zinc/43/32/09/381433209.db2.gz IVVDUSHQMJCNGF-DDKJEQMHSA-N 1 1 290.363 2.845 20 5 CFBDMO C[C@H]1[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000342828052 381572147 /nfs/dbraw/zinc/57/21/47/381572147.db2.gz AQDBRSOFHLATJS-ONGXEEELSA-N 1 1 267.304 2.629 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542118 381619775 /nfs/dbraw/zinc/61/97/75/381619775.db2.gz ATMCFGHRSHUKHH-ORVLFJDJSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355112139 381619963 /nfs/dbraw/zinc/61/99/63/381619963.db2.gz NDWHYVUTBOZSFM-KGLIPLIRSA-N 1 1 276.336 2.596 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000348545183 381624631 /nfs/dbraw/zinc/62/46/31/381624631.db2.gz SRSRZXNWMQMKIT-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355141436 381639422 /nfs/dbraw/zinc/63/94/22/381639422.db2.gz YERAVSNYURFXRL-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000291135043 381679034 /nfs/dbraw/zinc/67/90/34/381679034.db2.gz NKTUXUYTEDHFAM-LLVKDONJSA-N 1 1 280.372 2.709 20 5 CFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616553 381683990 /nfs/dbraw/zinc/68/39/90/381683990.db2.gz QTWZJDPDHPYJRR-DGCLKSJQSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CN)C1CCCC1 ZINC000415071995 381756228 /nfs/dbraw/zinc/75/62/28/381756228.db2.gz XGYLPTJTIAPPCA-OAHLLOKOSA-N 1 1 277.368 2.510 20 5 CFBDMO Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348903908 381760240 /nfs/dbraw/zinc/76/02/40/381760240.db2.gz IPOVSTGSAZUGRA-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348903908 381760243 /nfs/dbraw/zinc/76/02/43/381760243.db2.gz IPOVSTGSAZUGRA-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343616690 381843639 /nfs/dbraw/zinc/84/36/39/381843639.db2.gz ZNCPDKOHBQUTKK-SKDRFNHKSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@H]1[C@H](C)N(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000349210974 381849946 /nfs/dbraw/zinc/84/99/46/381849946.db2.gz FHNDVKFLCSDKPN-ZJUUUORDSA-N 1 1 283.759 2.777 20 5 CFBDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349362211 381908849 /nfs/dbraw/zinc/90/88/49/381908849.db2.gz CJVQUKIWDOQQTA-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H]1C ZINC000292993592 381940646 /nfs/dbraw/zinc/94/06/46/381940646.db2.gz MKOAQVMJOGYWBW-NWDGAFQWSA-N 1 1 291.351 2.572 20 5 CFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000343874728 381996461 /nfs/dbraw/zinc/99/64/61/381996461.db2.gz QABIOHIDIGIECZ-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293167187 382014148 /nfs/dbraw/zinc/01/41/48/382014148.db2.gz PAKQESARJIMEAJ-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293167187 382014150 /nfs/dbraw/zinc/01/41/50/382014150.db2.gz PAKQESARJIMEAJ-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@H+](C)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336312 382045263 /nfs/dbraw/zinc/04/52/63/382045263.db2.gz HNDXKFLGMVELSF-INIZCTEOSA-N 1 1 291.395 2.904 20 5 CFBDMO CC[N@@H+](C)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336312 382045264 /nfs/dbraw/zinc/04/52/64/382045264.db2.gz HNDXKFLGMVELSF-INIZCTEOSA-N 1 1 291.395 2.904 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293328577 382080410 /nfs/dbraw/zinc/08/04/10/382080410.db2.gz GHRJNXUYZIQKFD-VXGBXAGGSA-N 1 1 291.351 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293357126 382092107 /nfs/dbraw/zinc/09/21/07/382092107.db2.gz ZQRQQFRVNRIXOC-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293357126 382092110 /nfs/dbraw/zinc/09/21/10/382092110.db2.gz ZQRQQFRVNRIXOC-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000301167739 382096548 /nfs/dbraw/zinc/09/65/48/382096548.db2.gz WCLZNPGVXSPVTD-UHFFFAOYSA-N 1 1 279.340 2.550 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301282988 382134768 /nfs/dbraw/zinc/13/47/68/382134768.db2.gz PHVNMEJYSDQTFT-JTQLQIEISA-N 1 1 298.774 2.930 20 5 CFBDMO Cc1ccnc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301293848 382139992 /nfs/dbraw/zinc/13/99/92/382139992.db2.gz OLGCTYHCWMPSGK-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352228110 382236113 /nfs/dbraw/zinc/23/61/13/382236113.db2.gz VNGBHIHPSILJPO-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419332514 382289327 /nfs/dbraw/zinc/28/93/27/382289327.db2.gz SQLSZASRBJSCAF-VXGBXAGGSA-N 1 1 294.399 2.975 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419332511 382289652 /nfs/dbraw/zinc/28/96/52/382289652.db2.gz SQLSZASRBJSCAF-NEPJUHHUSA-N 1 1 294.399 2.975 20 5 CFBDMO C[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187935136 382303296 /nfs/dbraw/zinc/30/32/96/382303296.db2.gz QRBXNSWTVLPHEL-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000357778547 382316119 /nfs/dbraw/zinc/31/61/19/382316119.db2.gz DIYLXGSOICJSKU-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000293873017 382317876 /nfs/dbraw/zinc/31/78/76/382317876.db2.gz CRWUGWGLCBONEK-GFCCVEGCSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000293873017 382317881 /nfs/dbraw/zinc/31/78/81/382317881.db2.gz CRWUGWGLCBONEK-GFCCVEGCSA-N 1 1 252.289 2.837 20 5 CFBDMO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352421290 382322470 /nfs/dbraw/zinc/32/24/70/382322470.db2.gz KGMQVWAOWLXOMT-AMIZOPFISA-N 1 1 286.278 2.530 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000420287641 382341631 /nfs/dbraw/zinc/34/16/31/382341631.db2.gz IHGYCMQFGNKNGO-GFCCVEGCSA-N 1 1 279.384 2.881 20 5 CFBDMO COc1cc(C[N@@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352540544 382386478 /nfs/dbraw/zinc/38/64/78/382386478.db2.gz MMZYVAUGQSVKTD-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc(C[N@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352540544 382386481 /nfs/dbraw/zinc/38/64/81/382386481.db2.gz MMZYVAUGQSVKTD-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000352642805 382429486 /nfs/dbraw/zinc/42/94/86/382429486.db2.gz KDZORVNFMONHNY-GFCCVEGCSA-N 1 1 294.351 2.986 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352659567 382436883 /nfs/dbraw/zinc/43/68/83/382436883.db2.gz OALJUEYTPUGROS-AAEUAGOBSA-N 1 1 284.743 2.593 20 5 CFBDMO CCOc1cc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420637466 382438234 /nfs/dbraw/zinc/43/82/34/382438234.db2.gz OPLVEVWJGMNYEI-ZDUSSCGKSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305805633 382447040 /nfs/dbraw/zinc/44/70/40/382447040.db2.gz GDKRADDVPSZYJI-XUJVJEKNSA-N 1 1 278.352 2.667 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000352617477 382419186 /nfs/dbraw/zinc/41/91/86/382419186.db2.gz DFXOQWCCNOFHCB-SWLSCSKDSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352701977 382449966 /nfs/dbraw/zinc/44/99/66/382449966.db2.gz WYWLOWNEXKBAFK-DDTOSNHZSA-N 1 1 264.325 2.501 20 5 CFBDMO CC(C)OCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705732 382452793 /nfs/dbraw/zinc/45/27/93/382452793.db2.gz KVLSIEHSDYIWNJ-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)OCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705732 382452797 /nfs/dbraw/zinc/45/27/97/382452797.db2.gz KVLSIEHSDYIWNJ-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000366640390 382537311 /nfs/dbraw/zinc/53/73/11/382537311.db2.gz UIVSGWDXNLEHPE-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000358359260 382586722 /nfs/dbraw/zinc/58/67/22/382586722.db2.gz TVYWMHINBWKCKI-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189335914 382595071 /nfs/dbraw/zinc/59/50/71/382595071.db2.gz MYRBSMMCCBUYBK-ONGXEEELSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189335914 382595074 /nfs/dbraw/zinc/59/50/74/382595074.db2.gz MYRBSMMCCBUYBK-ONGXEEELSA-N 1 1 270.354 2.513 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191815025 382702707 /nfs/dbraw/zinc/70/27/07/382702707.db2.gz HVEUOQGEGSTSTA-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO C[N@@H+](CCNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000214747881 382777113 /nfs/dbraw/zinc/77/71/13/382777113.db2.gz UAIXVGQHOUDEEM-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337339388 382805318 /nfs/dbraw/zinc/80/53/18/382805318.db2.gz RJLHSSWXEUMZAK-UHFFFAOYSA-N 1 1 291.351 2.796 20 5 CFBDMO C[N@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227890074 382842202 /nfs/dbraw/zinc/84/22/02/382842202.db2.gz GANBEMFEMQIIKV-VIFPVBQESA-N 1 1 285.294 2.627 20 5 CFBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]cnc2[nH]ccc21 ZINC000337818350 382868371 /nfs/dbraw/zinc/86/83/71/382868371.db2.gz PMTXXTSNYMCUCX-UHFFFAOYSA-N 1 1 297.318 2.545 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cccnc1)C2 ZINC000533799912 382911232 /nfs/dbraw/zinc/91/12/32/382911232.db2.gz AXMRFAUKEHJKSE-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443065930 382965213 /nfs/dbraw/zinc/96/52/13/382965213.db2.gz GWPPWVJVOLKEQS-TZMCWYRMSA-N 1 1 278.352 2.903 20 5 CFBDMO CC(C)OC1CC([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000579444483 383017385 /nfs/dbraw/zinc/01/73/85/383017385.db2.gz ZCARVVPHCSUTHU-UHFFFAOYSA-N 1 1 290.363 2.909 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCO1 ZINC000245394496 382999182 /nfs/dbraw/zinc/99/91/82/382999182.db2.gz FSGRXURXMOBMDD-BXUZGUMPSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000447801921 383008115 /nfs/dbraw/zinc/00/81/15/383008115.db2.gz FSSITGFYTFTBKJ-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CC[C@@]1(O)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495192513 382970513 /nfs/dbraw/zinc/97/05/13/382970513.db2.gz LGSKGJPTEUAGGE-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495192513 382970517 /nfs/dbraw/zinc/97/05/17/382970517.db2.gz LGSKGJPTEUAGGE-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cs1 ZINC000579924738 383065879 /nfs/dbraw/zinc/06/58/79/383065879.db2.gz QZWZBDIMAQBCKL-LLVKDONJSA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cs1 ZINC000579924738 383065882 /nfs/dbraw/zinc/06/58/82/383065882.db2.gz QZWZBDIMAQBCKL-LLVKDONJSA-N 1 1 282.365 2.536 20 5 CFBDMO CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423383798 383076208 /nfs/dbraw/zinc/07/62/08/383076208.db2.gz FGXPXNWZWQEKJR-BYCMXARLSA-N 1 1 277.368 2.634 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000447899822 383027443 /nfs/dbraw/zinc/02/74/43/383027443.db2.gz XCMPNOJYMFMNMD-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000447899822 383027447 /nfs/dbraw/zinc/02/74/47/383027447.db2.gz XCMPNOJYMFMNMD-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO COC1(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000339016240 383122476 /nfs/dbraw/zinc/12/24/76/383122476.db2.gz YZAZUASBSPWTTN-UHFFFAOYSA-N 1 1 290.363 2.912 20 5 CFBDMO Cc1c([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423398895 383082315 /nfs/dbraw/zinc/08/23/15/383082315.db2.gz PEAJBEYLERJWTR-OSMZGAPFSA-N 1 1 277.368 2.552 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)[C@@H](C)[NH3+] ZINC000423446070 383098990 /nfs/dbraw/zinc/09/89/90/383098990.db2.gz NQLLKSJJIQHDSP-IJLUTSLNSA-N 1 1 297.424 2.791 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](C)N ZINC000423446070 383098992 /nfs/dbraw/zinc/09/89/92/383098992.db2.gz NQLLKSJJIQHDSP-IJLUTSLNSA-N 1 1 297.424 2.791 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123323 383145172 /nfs/dbraw/zinc/14/51/72/383145172.db2.gz RFWFKGHLCYYWFV-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123323 383145175 /nfs/dbraw/zinc/14/51/75/383145175.db2.gz RFWFKGHLCYYWFV-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222229 285009417 /nfs/dbraw/zinc/00/94/17/285009417.db2.gz PXAJXHIHIIPVLV-VXGBXAGGSA-N 1 1 266.341 2.667 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449391077 383259731 /nfs/dbraw/zinc/25/97/31/383259731.db2.gz HPULRSMUXCSBQL-OAHLLOKOSA-N 1 1 278.352 2.762 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248340461 383224625 /nfs/dbraw/zinc/22/46/25/383224625.db2.gz IOQPZPPMZSYDFQ-IJLUTSLNSA-N 1 1 291.351 2.652 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449492975 383330094 /nfs/dbraw/zinc/33/00/94/383330094.db2.gz CZAIWTSIOMVFMQ-MWLCHTKSSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449492975 383330098 /nfs/dbraw/zinc/33/00/98/383330098.db2.gz CZAIWTSIOMVFMQ-MWLCHTKSSA-N 1 1 270.354 2.513 20 5 CFBDMO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892897 383303838 /nfs/dbraw/zinc/30/38/38/383303838.db2.gz FBXHDZXBFRSXIO-IUODEOHRSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892897 383303842 /nfs/dbraw/zinc/30/38/42/383303842.db2.gz FBXHDZXBFRSXIO-IUODEOHRSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000568506976 383409728 /nfs/dbraw/zinc/40/97/28/383409728.db2.gz STEGYDRQWUVVJI-CYBMUJFWSA-N 1 1 264.325 2.594 20 5 CFBDMO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000340520227 383454974 /nfs/dbraw/zinc/45/49/74/383454974.db2.gz PFUAXOCYYCTEHM-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]1C[N@H+](CCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253604418 383465296 /nfs/dbraw/zinc/46/52/96/383465296.db2.gz VJBDJXKGQHWHAT-BETUJISGSA-N 1 1 293.367 2.506 20 5 CFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOCC1CC1 ZINC000254930872 383473251 /nfs/dbraw/zinc/47/32/51/383473251.db2.gz YWOILTZENZUOEM-XQRVVYSFSA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1cnccc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000569719085 383532545 /nfs/dbraw/zinc/53/25/45/383532545.db2.gz OLBWQBVALBQGBK-UHFFFAOYSA-N 1 1 297.358 2.899 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](SC)C1 ZINC000451320862 383589217 /nfs/dbraw/zinc/58/92/17/383589217.db2.gz BHUCPFGMEINLQR-GFCCVEGCSA-N 1 1 282.365 2.541 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000450954619 383565714 /nfs/dbraw/zinc/56/57/14/383565714.db2.gz NSBQZGLWTDDBBN-SNVBAGLBSA-N 1 1 298.774 2.562 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540286 383638963 /nfs/dbraw/zinc/63/89/63/383638963.db2.gz GLLZJGOFQSELNP-IAQYHMDHSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCCO)C2)cc1 ZINC000451550800 383643406 /nfs/dbraw/zinc/64/34/06/383643406.db2.gz RYROWXCBEBJEHV-CQSZACIVSA-N 1 1 278.352 2.547 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489409844 383616460 /nfs/dbraw/zinc/61/64/60/383616460.db2.gz UTTDIIMGLBHALN-ZDUSSCGKSA-N 1 1 264.325 2.704 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489458485 383620846 /nfs/dbraw/zinc/62/08/46/383620846.db2.gz ARXMDNJQFNHHHG-ZDUSSCGKSA-N 1 1 264.325 2.704 20 5 CFBDMO CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000453141833 383781693 /nfs/dbraw/zinc/78/16/93/383781693.db2.gz UBLIOECQMYPXHT-ZIAGYGMSSA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000530865469 383798332 /nfs/dbraw/zinc/79/83/32/383798332.db2.gz PWJWOPZCGGDZBJ-SNPRPXQTSA-N 1 1 292.383 2.692 20 5 CFBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000453201306 383800697 /nfs/dbraw/zinc/80/06/97/383800697.db2.gz BRDFDVAFSNTQTF-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728556 383914182 /nfs/dbraw/zinc/91/41/82/383914182.db2.gz MTJXPGQQPRDCOQ-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728556 383914190 /nfs/dbraw/zinc/91/41/90/383914190.db2.gz MTJXPGQQPRDCOQ-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000573718124 383978912 /nfs/dbraw/zinc/97/89/12/383978912.db2.gz KIAAAUNFRFIMQG-JMSVASOKSA-N 1 1 276.336 2.767 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC000278312178 384524703 /nfs/dbraw/zinc/52/47/03/384524703.db2.gz WWPFHTCWXXNEKB-UHFFFAOYSA-N 1 1 281.312 2.981 20 5 CFBDMO C[C@@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000363797944 220320888 /nfs/dbraw/zinc/32/08/88/220320888.db2.gz WKPHSLCPUWQYGI-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372222 384616144 /nfs/dbraw/zinc/61/61/44/384616144.db2.gz RZNGWJKZVFBCJI-BZNIZROVSA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279372222 384616147 /nfs/dbraw/zinc/61/61/47/384616147.db2.gz RZNGWJKZVFBCJI-BZNIZROVSA-N 1 1 290.363 2.903 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106431 384725787 /nfs/dbraw/zinc/72/57/87/384725787.db2.gz VFTYPKFVICRPGH-RISCZKNCSA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730285 /nfs/dbraw/zinc/73/02/85/384730285.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 1 1 289.379 2.511 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692301 384837348 /nfs/dbraw/zinc/83/73/48/384837348.db2.gz VLDAXMGDYBQWKZ-BXUZGUMPSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269664865 384826924 /nfs/dbraw/zinc/82/69/24/384826924.db2.gz RLSHROXPXKUTIN-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692303 384838083 /nfs/dbraw/zinc/83/80/83/384838083.db2.gz VLDAXMGDYBQWKZ-FZMZJTMJSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)CC1 ZINC000279902323 384806044 /nfs/dbraw/zinc/80/60/44/384806044.db2.gz DMSXMWPVJZUIPW-DOMZBBRYSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633914 384814087 /nfs/dbraw/zinc/81/40/87/384814087.db2.gz GNPMHJUVHXDUTN-RISCZKNCSA-N 1 1 290.319 2.914 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCC1 ZINC000269761438 384863517 /nfs/dbraw/zinc/86/35/17/384863517.db2.gz BLDVIBVSNUSCKH-LBPRGKRZSA-N 1 1 278.352 2.893 20 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/nfs/dbraw/zinc/23/33/50/385233350.db2.gz VSMIZTDHTVCQEW-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000282193947 385243224 /nfs/dbraw/zinc/24/32/24/385243224.db2.gz HNJSENWGBYAHNP-ZDUSSCGKSA-N 1 1 290.367 2.606 20 5 CFBDMO CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000282359309 385292835 /nfs/dbraw/zinc/29/28/35/385292835.db2.gz NCWRSKDKABAHEJ-IUODEOHRSA-N 1 1 278.352 2.637 20 5 CFBDMO C[N@@H+](CCc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282560733 385342000 /nfs/dbraw/zinc/34/20/00/385342000.db2.gz YKCPZQOFRCUUON-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282635916 385358832 /nfs/dbraw/zinc/35/88/32/385358832.db2.gz BGFUAACSUDVTBP-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000271200730 385373617 /nfs/dbraw/zinc/37/36/17/385373617.db2.gz IYOCHTDCDOQIEF-UHFFFAOYSA-N 1 1 279.271 2.708 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282491390 385325513 /nfs/dbraw/zinc/32/55/13/385325513.db2.gz MOBIMEXDXPOUPN-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283182881 385443672 /nfs/dbraw/zinc/44/36/72/385443672.db2.gz QDNZJZVKMVLKPL-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CN(c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286279500 385582210 /nfs/dbraw/zinc/58/22/10/385582210.db2.gz GUCDRKSLHIFXQB-FUNVUKJBSA-N 1 1 293.342 2.795 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272852489 385632814 /nfs/dbraw/zinc/63/28/14/385632814.db2.gz VSSAFIHERGPBQL-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO COCC1=CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275031838 385916270 /nfs/dbraw/zinc/91/62/70/385916270.db2.gz WIPJTDOWFJSSSG-GFCCVEGCSA-N 1 1 276.336 2.934 20 5 CFBDMO COC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517456 285279259 /nfs/dbraw/zinc/27/92/59/285279259.db2.gz GWZLQPWCBZPJEQ-NWDGAFQWSA-N 1 1 264.325 2.624 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281663044 195327175 /nfs/dbraw/zinc/32/71/75/195327175.db2.gz KWNGHULUEOHIDH-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000422949627 533506550 /nfs/dbraw/zinc/50/65/50/533506550.db2.gz UPZRVUZDZAPPMU-OUCADQQQSA-N 1 1 277.368 2.634 20 5 CFBDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878382 130104254 /nfs/dbraw/zinc/10/42/54/130104254.db2.gz RSCSXPASFBMBSI-SLEUVZQESA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878382 130104255 /nfs/dbraw/zinc/10/42/55/130104255.db2.gz RSCSXPASFBMBSI-SLEUVZQESA-N 1 1 289.379 2.728 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180677459 393483812 /nfs/dbraw/zinc/48/38/12/393483812.db2.gz GXUVHFUXUJOFNI-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000301990455 393485000 /nfs/dbraw/zinc/48/50/00/393485000.db2.gz MQQOPLDZRWLVCW-SECBINFHSA-N 1 1 255.343 2.551 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000192177091 393615012 /nfs/dbraw/zinc/61/50/12/393615012.db2.gz PHJNTXOITLBNAR-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000192177091 393615017 /nfs/dbraw/zinc/61/50/17/393615017.db2.gz PHJNTXOITLBNAR-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335155604 393647581 /nfs/dbraw/zinc/64/75/81/393647581.db2.gz LMVGRYABEIIZLE-STQMWFEESA-N 1 1 264.350 2.593 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193848426 393665976 /nfs/dbraw/zinc/66/59/76/393665976.db2.gz MFFMXSCKNYEZNL-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO C[N@@H+](CCc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000411134534 393671236 /nfs/dbraw/zinc/67/12/36/393671236.db2.gz OLIFYWBCPNYUIV-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509065 393742789 /nfs/dbraw/zinc/74/27/89/393742789.db2.gz KYJXLJNLAYJSFQ-LLVKDONJSA-N 1 1 298.412 2.975 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411288916 393693988 /nfs/dbraw/zinc/69/39/88/393693988.db2.gz FWVKLWBYECWUJQ-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO COCCCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606103 393763497 /nfs/dbraw/zinc/76/34/97/393763497.db2.gz JEYCFTFZVCWHCF-UHFFFAOYSA-N 1 1 278.352 2.770 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959977 393785033 /nfs/dbraw/zinc/78/50/33/393785033.db2.gz JYKQSUUPYDPFJV-AVGNSLFASA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959977 393785036 /nfs/dbraw/zinc/78/50/36/393785036.db2.gz JYKQSUUPYDPFJV-AVGNSLFASA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119003077 393912925 /nfs/dbraw/zinc/91/29/25/393912925.db2.gz MDFXCFKZXDBKRZ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119003077 393912928 /nfs/dbraw/zinc/91/29/28/393912928.db2.gz MDFXCFKZXDBKRZ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO COCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000341160847 393850491 /nfs/dbraw/zinc/85/04/91/393850491.db2.gz GWLFNKABZHQRAP-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000341160847 393850497 /nfs/dbraw/zinc/85/04/97/393850497.db2.gz GWLFNKABZHQRAP-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000248886481 393917354 /nfs/dbraw/zinc/91/73/54/393917354.db2.gz QPODYMVGCPWEEG-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000248886481 393917356 /nfs/dbraw/zinc/91/73/56/393917356.db2.gz QPODYMVGCPWEEG-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000248886481 393917359 /nfs/dbraw/zinc/91/73/59/393917359.db2.gz QPODYMVGCPWEEG-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000119292483 393916929 /nfs/dbraw/zinc/91/69/29/393916929.db2.gz YDPBGJABDXYBJW-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000119292483 393916933 /nfs/dbraw/zinc/91/69/33/393916933.db2.gz YDPBGJABDXYBJW-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000352780019 394018815 /nfs/dbraw/zinc/01/88/15/394018815.db2.gz RCBSEGAKFVBUES-YWPYICTPSA-N 1 1 278.352 2.667 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000430205765 393968311 /nfs/dbraw/zinc/96/83/11/393968311.db2.gz JRLKQUATBAHQIJ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000349978053 393975607 /nfs/dbraw/zinc/97/56/07/393975607.db2.gz SEJBGSJVMFJGRF-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000349978053 393975608 /nfs/dbraw/zinc/97/56/08/393975608.db2.gz SEJBGSJVMFJGRF-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189367 393991103 /nfs/dbraw/zinc/99/11/03/393991103.db2.gz VHROSFUQOUVXLY-UFBFGSQYSA-N 1 1 296.758 2.538 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000125569935 394009497 /nfs/dbraw/zinc/00/94/97/394009497.db2.gz QQCXWZAVHWYTPJ-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO COc1ccc(-c2ccc(C[NH2+]CCF)o2)c([N+](=O)[O-])c1 ZINC000437248989 394051225 /nfs/dbraw/zinc/05/12/25/394051225.db2.gz TWNSBKDRWGAXKX-UHFFFAOYSA-N 1 1 294.282 2.923 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000127667590 394053915 /nfs/dbraw/zinc/05/39/15/394053915.db2.gz REKVVBMGQVFMJM-GFCCVEGCSA-N 1 1 293.367 2.746 20 5 CFBDMO COc1cc(C[N@@H+](C)CCCSC)ccc1[N+](=O)[O-] ZINC000439469429 394117242 /nfs/dbraw/zinc/11/72/42/394117242.db2.gz NSXNQFUAABNLQR-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084562 394145427 /nfs/dbraw/zinc/14/54/27/394145427.db2.gz UBLUXAPXSQQJGT-QWRGUYRKSA-N 1 1 281.331 2.571 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821780 394151024 /nfs/dbraw/zinc/15/10/24/394151024.db2.gz VOJSTYFZSSFFPU-GHMZBOCLSA-N 1 1 252.314 2.623 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCO)CC2)cs1 ZINC000421015576 394157868 /nfs/dbraw/zinc/15/78/68/394157868.db2.gz LOKQMWUHXXVNLZ-NSHDSACASA-N 1 1 284.381 2.641 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421046089 394168961 /nfs/dbraw/zinc/16/89/61/394168961.db2.gz WCBIXXDJUMAMMR-CYBMUJFWSA-N 1 1 278.352 2.579 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000290633582 394231549 /nfs/dbraw/zinc/23/15/49/394231549.db2.gz HINROYCDPJKDAL-SNVBAGLBSA-N 1 1 269.320 2.875 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286080457 394189258 /nfs/dbraw/zinc/18/92/58/394189258.db2.gz JSHZYUXEMKHKBI-LBPRGKRZSA-N 1 1 292.383 2.853 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134430538 394196732 /nfs/dbraw/zinc/19/67/32/394196732.db2.gz KSGWFJSAPCHUGI-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134430538 394196733 /nfs/dbraw/zinc/19/67/33/394196733.db2.gz KSGWFJSAPCHUGI-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO CSCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000152395901 394277163 /nfs/dbraw/zinc/27/71/63/394277163.db2.gz HXOAMXGSRBUREV-UHFFFAOYSA-N 1 1 281.337 2.531 20 5 CFBDMO CSCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000152395901 394277164 /nfs/dbraw/zinc/27/71/64/394277164.db2.gz HXOAMXGSRBUREV-UHFFFAOYSA-N 1 1 281.337 2.531 20 5 CFBDMO C[C@@]1(F)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451116616 394359413 /nfs/dbraw/zinc/35/94/13/394359413.db2.gz RZLKECZADWETBO-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@@]1(F)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451116616 394359414 /nfs/dbraw/zinc/35/94/14/394359414.db2.gz RZLKECZADWETBO-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000172591752 394373603 /nfs/dbraw/zinc/37/36/03/394373603.db2.gz JFLQZYPXBAWJCO-JTQLQIEISA-N 1 1 252.339 2.532 20 5 CFBDMO CCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000453350369 394388970 /nfs/dbraw/zinc/38/89/70/394388970.db2.gz GIBGRBGXAXSHAS-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000548097833 394910884 /nfs/dbraw/zinc/91/08/84/394910884.db2.gz CQTAKANUFGZKGW-UWVGGRQHSA-N 1 1 288.307 2.628 20 5 CFBDMO CCCCOCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742151 395075105 /nfs/dbraw/zinc/07/51/05/395075105.db2.gz WSHNJMLQEPYPDP-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791674 155369765 /nfs/dbraw/zinc/36/97/65/155369765.db2.gz JLBCJFRANPNUFH-NWDGAFQWSA-N 1 1 293.367 2.522 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791676 155370630 /nfs/dbraw/zinc/37/06/30/155370630.db2.gz JLBCJFRANPNUFH-VXGBXAGGSA-N 1 1 293.367 2.522 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339618598 292296701 /nfs/dbraw/zinc/29/67/01/292296701.db2.gz HBAOWAMQMWTZIL-MJBXVCDLSA-N 1 1 291.395 2.989 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618598 292296703 /nfs/dbraw/zinc/29/67/03/292296703.db2.gz HBAOWAMQMWTZIL-MJBXVCDLSA-N 1 1 291.395 2.989 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618598 292296705 /nfs/dbraw/zinc/29/67/05/292296705.db2.gz HBAOWAMQMWTZIL-MJBXVCDLSA-N 1 1 291.395 2.989 20 5 CFBDMO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355440889 155008433 /nfs/dbraw/zinc/00/84/33/155008433.db2.gz RNHHTDSVPKUEHT-UHFFFAOYSA-N 1 1 296.286 2.803 20 5 CFBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959306 156127568 /nfs/dbraw/zinc/12/75/68/156127568.db2.gz XPMGBVXVJCSSRZ-NEPJUHHUSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1F ZINC000374795721 157158480 /nfs/dbraw/zinc/15/84/80/157158480.db2.gz SIOGFSXJJOQCBM-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375285677 157216987 /nfs/dbraw/zinc/21/69/87/157216987.db2.gz DZSSLKCFKKDBDC-HNNXBMFYSA-N 1 1 290.363 2.675 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000376064902 157319221 /nfs/dbraw/zinc/31/92/21/157319221.db2.gz CZZWYZWUYCMJSL-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000408172230 157383252 /nfs/dbraw/zinc/38/32/52/157383252.db2.gz UEWBEUYDNAOXNJ-OLZOCXBDSA-N 1 1 292.383 2.526 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000408309065 157392004 /nfs/dbraw/zinc/39/20/04/157392004.db2.gz LDILFEQVRMWBAO-LBPRGKRZSA-N 1 1 294.399 2.977 20 5 CFBDMO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000344610621 162080583 /nfs/dbraw/zinc/08/05/83/162080583.db2.gz AXBHVKDFBWOWQC-LGVMCUBASA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000344610621 162080589 /nfs/dbraw/zinc/08/05/89/162080589.db2.gz AXBHVKDFBWOWQC-LGVMCUBASA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610621 162080592 /nfs/dbraw/zinc/08/05/92/162080592.db2.gz AXBHVKDFBWOWQC-LGVMCUBASA-N 1 1 289.379 2.680 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3c(c2)COC3)cs1 ZINC000345025550 162165597 /nfs/dbraw/zinc/16/55/97/162165597.db2.gz AOQDOVAFLHLYSH-UHFFFAOYSA-N 1 1 290.344 2.976 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000347664386 162751910 /nfs/dbraw/zinc/75/19/10/162751910.db2.gz PRCOSPYABLKZLR-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353327425 163346736 /nfs/dbraw/zinc/34/67/36/163346736.db2.gz BWBCVNHWESWRDH-OAHLLOKOSA-N 1 1 289.379 2.572 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000284297220 196023556 /nfs/dbraw/zinc/02/35/56/196023556.db2.gz RLDYDDIRTDXFHU-NSHDSACASA-N 1 1 281.381 2.956 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340337 196254727 /nfs/dbraw/zinc/25/47/27/196254727.db2.gz UTNGSQOQNUVVGK-VXGBXAGGSA-N 1 1 294.399 2.558 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292604 173096700 /nfs/dbraw/zinc/09/67/00/173096700.db2.gz MLODATIOQPKDCH-HUUCEWRRSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292604 173096702 /nfs/dbraw/zinc/09/67/02/173096702.db2.gz MLODATIOQPKDCH-HUUCEWRRSA-N 1 1 289.379 2.620 20 5 CFBDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533981 175197335 /nfs/dbraw/zinc/19/73/35/175197335.db2.gz RDRTUFWWYROPOS-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533981 175197339 /nfs/dbraw/zinc/19/73/39/175197339.db2.gz RDRTUFWWYROPOS-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044685822 175231383 /nfs/dbraw/zinc/23/13/83/175231383.db2.gz IOEMCKOFLSLEKI-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044685822 175231384 /nfs/dbraw/zinc/23/13/84/175231384.db2.gz IOEMCKOFLSLEKI-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044725866 175237875 /nfs/dbraw/zinc/23/78/75/175237875.db2.gz NESPMNJHMAUUSE-NSHDSACASA-N 1 1 261.325 2.552 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCCC[C@@H]1O)C2 ZINC000518192450 260352694 /nfs/dbraw/zinc/35/26/94/260352694.db2.gz KAUCHTFIKSSFDE-BBRMVZONSA-N 1 1 290.363 2.504 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000521420090 262322748 /nfs/dbraw/zinc/32/27/48/262322748.db2.gz SEOABLDVCOQRPM-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1(C)COC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000313048797 270289659 /nfs/dbraw/zinc/28/96/59/270289659.db2.gz YSMAQFYNPHTVNR-LBPRGKRZSA-N 1 1 284.743 2.763 20 5 CFBDMO Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000398005652 270321582 /nfs/dbraw/zinc/32/15/82/270321582.db2.gz XSFUDVQDBHXDNU-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000282431440 274064242 /nfs/dbraw/zinc/06/42/42/274064242.db2.gz RJIUGQDTUSVCOT-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177901770 274203050 /nfs/dbraw/zinc/20/30/50/274203050.db2.gz QMPLRWKBXSMEJD-UTUOFQBUSA-N 1 1 291.351 2.652 20 5 CFBDMO C[C@H]([NH3+])CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423222224 274503209 /nfs/dbraw/zinc/50/32/09/274503209.db2.gz AHOWHYURJJSLRZ-HZMBPMFUSA-N 1 1 277.368 2.644 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000432146247 275039376 /nfs/dbraw/zinc/03/93/76/275039376.db2.gz AAJPODNNSSFXQG-SECBINFHSA-N 1 1 292.726 2.872 20 5 CFBDMO CCN1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000038098033 276151396 /nfs/dbraw/zinc/15/13/96/276151396.db2.gz XWSFDMVPPNUKOH-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000268816368 277070119 /nfs/dbraw/zinc/07/01/19/277070119.db2.gz IMGMHDVMQMFGLL-DOMZBBRYSA-N 1 1 275.352 2.515 20 5 CFBDMO COc1ccncc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347030341 278068230 /nfs/dbraw/zinc/06/82/30/278068230.db2.gz JBWPNQYABJUPRU-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1ccncc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347030341 278068232 /nfs/dbraw/zinc/06/82/32/278068232.db2.gz JBWPNQYABJUPRU-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085261 278349394 /nfs/dbraw/zinc/34/93/94/278349394.db2.gz CVOUJDQDKDAUOT-VXGBXAGGSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085261 278349395 /nfs/dbraw/zinc/34/93/95/278349395.db2.gz CVOUJDQDKDAUOT-VXGBXAGGSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536033 278379635 /nfs/dbraw/zinc/37/96/35/278379635.db2.gz YXXQFPZEUDVEQK-IAQYHMDHSA-N 1 1 277.368 2.763 20 5 CFBDMO CC[C@H](NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010425 288041133 /nfs/dbraw/zinc/04/11/33/288041133.db2.gz SQGHRRKHTJNWJL-HNNXBMFYSA-N 1 1 279.384 2.977 20 5 CFBDMO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338785912 278798798 /nfs/dbraw/zinc/79/87/98/278798798.db2.gz BWSOZBXCHVQIJQ-NXEZZACHSA-N 1 1 283.759 2.777 20 5 CFBDMO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271635053 279338790 /nfs/dbraw/zinc/33/87/90/279338790.db2.gz PZMGRLUSFWJUIF-NWDGAFQWSA-N 1 1 293.367 2.501 20 5 CFBDMO CC(C)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000343207419 280016371 /nfs/dbraw/zinc/01/63/71/280016371.db2.gz PZIAKTVGXKJRPO-ZDUSSCGKSA-N 1 1 281.331 2.510 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000126989641 280659138 /nfs/dbraw/zinc/65/91/38/280659138.db2.gz LKWTYWBYESTKNV-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305805629 281021977 /nfs/dbraw/zinc/02/19/77/281021977.db2.gz GDKRADDVPSZYJI-SLEUVZQESA-N 1 1 278.352 2.667 20 5 CFBDMO CCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255558509 281101220 /nfs/dbraw/zinc/10/12/20/281101220.db2.gz PGCQPORBFPNMFK-VURMDHGXSA-N 1 1 278.352 2.702 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296259610 281142429 /nfs/dbraw/zinc/14/24/29/281142429.db2.gz LUBPFICKPPMKGT-LBPRGKRZSA-N 1 1 266.366 2.841 20 5 CFBDMO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393399 281235036 /nfs/dbraw/zinc/23/50/36/281235036.db2.gz ZKTHGMYJPSFJGM-CQSZACIVSA-N 1 1 277.368 2.559 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871795 281288111 /nfs/dbraw/zinc/28/81/11/281288111.db2.gz DHLSLPDQNMRTLH-SWLSCSKDSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871795 281288113 /nfs/dbraw/zinc/28/81/13/281288113.db2.gz DHLSLPDQNMRTLH-SWLSCSKDSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871793 281288284 /nfs/dbraw/zinc/28/82/84/281288284.db2.gz DHLSLPDQNMRTLH-IUODEOHRSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871793 281288287 /nfs/dbraw/zinc/28/82/87/281288287.db2.gz DHLSLPDQNMRTLH-IUODEOHRSA-N 1 1 291.395 2.902 20 5 CFBDMO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000519564324 281308651 /nfs/dbraw/zinc/30/86/51/281308651.db2.gz WJVCEARTPRKKGH-TUAOUCFPSA-N 1 1 263.341 2.515 20 5 CFBDMO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989379 281322185 /nfs/dbraw/zinc/32/21/85/281322185.db2.gz RVFJIKXWDAMVNV-NXEZZACHSA-N 1 1 280.324 2.595 20 5 CFBDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000540180233 281582799 /nfs/dbraw/zinc/58/27/99/281582799.db2.gz CNLVKNSGFLXWNH-SNVBAGLBSA-N 1 1 293.348 2.781 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000270290587 290226230 /nfs/dbraw/zinc/22/62/30/290226230.db2.gz ODILAQNFSPUXOZ-HOCLYGCPSA-N 1 1 298.346 2.847 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098368 290240045 /nfs/dbraw/zinc/24/00/45/290240045.db2.gz PXXXONTYMXEYDZ-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000564917659 290249065 /nfs/dbraw/zinc/24/90/65/290249065.db2.gz ZUZNPOOYRUXYNX-LSDHHAIUSA-N 1 1 290.363 2.986 20 5 CFBDMO COCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163486649 322376297 /nfs/dbraw/zinc/37/62/97/322376297.db2.gz HKOZGJQYSGVBHM-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO COCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163486649 322376299 /nfs/dbraw/zinc/37/62/99/322376299.db2.gz HKOZGJQYSGVBHM-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO COC[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189667264 324031996 /nfs/dbraw/zinc/03/19/96/324031996.db2.gz DGUWEGSUEPXAAU-LBPRGKRZSA-N 1 1 278.352 2.842 20 5 CFBDMO CCn1ccnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579918370 324990775 /nfs/dbraw/zinc/99/07/75/324990775.db2.gz LMGAMJUTZHDBCH-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691514 520720819 /nfs/dbraw/zinc/72/08/19/520720819.db2.gz DIZNJMCFICNVKY-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000414855014 533788087 /nfs/dbraw/zinc/78/80/87/533788087.db2.gz MRAXQHZIJQBUMZ-FRGQNTEPSA-N 1 1 289.379 2.586 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000158063576 533793417 /nfs/dbraw/zinc/79/34/17/533793417.db2.gz LCOABUFCCUESQL-SNVBAGLBSA-N 1 1 294.351 2.842 20 5 CFBDMO C[C@H](C[NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414876997 534048831 /nfs/dbraw/zinc/04/88/31/534048831.db2.gz MGBJVNLLRRVIHO-LLVKDONJSA-N 1 1 289.335 2.539 20 5 CFBDMO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000414357675 534052567 /nfs/dbraw/zinc/05/25/67/534052567.db2.gz APYLQWOXNLGTGY-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO CCC1(CO)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000305751777 519844564 /nfs/dbraw/zinc/84/45/64/519844564.db2.gz SBBMONPQGQVYMP-UHFFFAOYSA-N 1 1 296.342 2.718 20 5 CFBDMO CCOC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072977038 520171069 /nfs/dbraw/zinc/17/10/69/520171069.db2.gz HHLVRXILCCONQH-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072977038 520171074 /nfs/dbraw/zinc/17/10/74/520171074.db2.gz HHLVRXILCCONQH-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC[C@@H](NCC[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110128 520775093 /nfs/dbraw/zinc/77/50/93/520775093.db2.gz XKMWMINVAXHFQM-OAHLLOKOSA-N 1 1 279.384 2.977 20 5 CFBDMO CCC[C@@H](NCC[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110128 520775100 /nfs/dbraw/zinc/77/51/00/520775100.db2.gz XKMWMINVAXHFQM-OAHLLOKOSA-N 1 1 279.384 2.977 20 5 CFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000361589671 521353338 /nfs/dbraw/zinc/35/33/38/521353338.db2.gz QPWKSHOWCXTOGS-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480550 521512532 /nfs/dbraw/zinc/51/25/32/521512532.db2.gz BOSMVGTUZHLPLV-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300645 521658149 /nfs/dbraw/zinc/65/81/49/521658149.db2.gz VFWBSNOHTSHATJ-DOMZBBRYSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300645 521658152 /nfs/dbraw/zinc/65/81/52/521658152.db2.gz VFWBSNOHTSHATJ-DOMZBBRYSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340690820 523108256 /nfs/dbraw/zinc/10/82/56/523108256.db2.gz MSTPHNRRJYRXTK-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1cccc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000338702067 524698524 /nfs/dbraw/zinc/69/85/24/524698524.db2.gz BNGMBCBOHGMSRO-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363713471 524709904 /nfs/dbraw/zinc/70/99/04/524709904.db2.gz OCJYYKWHNZRDNW-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363713471 524709916 /nfs/dbraw/zinc/70/99/16/524709916.db2.gz OCJYYKWHNZRDNW-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@H]1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391041 524895441 /nfs/dbraw/zinc/89/54/41/524895441.db2.gz ZZAJCRQRVYVUEO-DZGCQCFKSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339354654 524906214 /nfs/dbraw/zinc/90/62/14/524906214.db2.gz AZIWWIJRRPCXMB-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361158039 525654440 /nfs/dbraw/zinc/65/44/40/525654440.db2.gz YVLYHKRQZHFTMU-RTIZMKJZSA-N 1 1 289.379 2.632 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246514747 525709779 /nfs/dbraw/zinc/70/97/79/525709779.db2.gz FLULUTIBLLVLRF-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ccncc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000162651924 525749069 /nfs/dbraw/zinc/74/90/69/525749069.db2.gz LYTYVEDHRODGCN-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000166262343 525897014 /nfs/dbraw/zinc/89/70/14/525897014.db2.gz VFSKQLQJCDGFIG-WBMJQRKESA-N 1 1 291.395 2.894 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305781358 526084882 /nfs/dbraw/zinc/08/48/82/526084882.db2.gz UMUZKAISTUTBOS-LDYMZIIASA-N 1 1 292.257 2.511 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305781358 526084892 /nfs/dbraw/zinc/08/48/92/526084892.db2.gz UMUZKAISTUTBOS-LDYMZIIASA-N 1 1 292.257 2.511 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156405435 527400166 /nfs/dbraw/zinc/40/01/66/527400166.db2.gz JLZQRJYELCPPHW-OAHLLOKOSA-N 1 1 299.330 2.643 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414530028 527501201 /nfs/dbraw/zinc/50/12/01/527501201.db2.gz WNGDSXYCBRDPOP-GSEQPPCLSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[C@@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453061248 535606823 /nfs/dbraw/zinc/60/68/23/535606823.db2.gz SLEJRLBDKJXHQY-RISCZKNCSA-N 1 1 288.351 2.806 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444770812 535767384 /nfs/dbraw/zinc/76/73/84/535767384.db2.gz FZCYSMSGWAEBNT-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059960 574156819 /nfs/dbraw/zinc/15/68/19/574156819.db2.gz ZMVLBDXGYZFPFL-YPMHNXCESA-N 1 1 266.345 2.649 20 5 CFBDMO CC[N@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207141 574319239 /nfs/dbraw/zinc/31/92/39/574319239.db2.gz QZRJCOPCAIBAOS-ZFWWWQNUSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207141 574319246 /nfs/dbraw/zinc/31/92/46/574319246.db2.gz QZRJCOPCAIBAOS-ZFWWWQNUSA-N 1 1 291.395 2.723 20 5 CFBDMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079461 574323206 /nfs/dbraw/zinc/32/32/06/574323206.db2.gz VTYGLNZKDXIIJL-IUODEOHRSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000750080122 574323414 /nfs/dbraw/zinc/32/34/14/574323414.db2.gz HXVDKRQVGFWPQJ-CQSZACIVSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000742425972 574329941 /nfs/dbraw/zinc/32/99/41/574329941.db2.gz RULUNYCIQUBCAZ-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCC2)ccc1Cl ZINC000221163314 618068988 /nfs/dbraw/zinc/06/89/88/618068988.db2.gz IJOVPMMFJDVIMI-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263991 617607661 /nfs/dbraw/zinc/60/76/61/617607661.db2.gz AQLIZVHVBJIWLS-WFASDCNBSA-N 1 1 286.335 2.627 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000932347663 617678534 /nfs/dbraw/zinc/67/85/34/617678534.db2.gz YXBGLTKXCJMBEG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000932347663 617678539 /nfs/dbraw/zinc/67/85/39/617678539.db2.gz YXBGLTKXCJMBEG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891624804 617690009 /nfs/dbraw/zinc/69/00/09/617690009.db2.gz GYZOXLKQZQMBJC-JTQLQIEISA-N 1 1 282.340 2.929 20 5 CFBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068628 617935746 /nfs/dbraw/zinc/93/57/46/617935746.db2.gz REMRCBVYBFDXRQ-JQWIXIFHSA-N 1 1 294.351 2.929 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000097930308 617989832 /nfs/dbraw/zinc/98/98/32/617989832.db2.gz VGKSTXHVTXCPPQ-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCO)C1CCCCC1 ZINC000050106456 618069343 /nfs/dbraw/zinc/06/93/43/618069343.db2.gz JRZRMDAGUFHYSA-UHFFFAOYSA-N 1 1 296.342 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC000933210908 618170075 /nfs/dbraw/zinc/17/00/75/618170075.db2.gz YDVIOMJASBPGJM-MRXNPFEDSA-N 1 1 290.363 2.638 20 5 CFBDMO Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000051576244 618226232 /nfs/dbraw/zinc/22/62/32/618226232.db2.gz UVTBQSRWAKOZBA-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC23CCCC3)c1[N+](=O)[O-] ZINC000895136957 618365522 /nfs/dbraw/zinc/36/55/22/618365522.db2.gz DXQFVHKJUCUXDX-UHFFFAOYSA-N 1 1 292.335 2.828 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312178746 618898075 /nfs/dbraw/zinc/89/80/75/618898075.db2.gz SROYCXUQBDQABJ-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312178746 618898076 /nfs/dbraw/zinc/89/80/76/618898076.db2.gz SROYCXUQBDQABJ-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582030 618931185 /nfs/dbraw/zinc/93/11/85/618931185.db2.gz OPFIKUIUKYPZCY-TZMCWYRMSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H]([NH3+])C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000261968453 619355567 /nfs/dbraw/zinc/35/55/67/619355567.db2.gz QBQAOBXVVJCPNU-JTQLQIEISA-N 1 1 297.786 2.807 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)CC1 ZINC000880239133 619450800 /nfs/dbraw/zinc/45/08/00/619450800.db2.gz WAKACGMJFRUQAZ-UHFFFAOYSA-N 1 1 268.288 2.537 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000895741052 619594005 /nfs/dbraw/zinc/59/40/05/619594005.db2.gz XMTZXNBUBLGQQF-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737247 619597184 /nfs/dbraw/zinc/59/71/84/619597184.db2.gz OEHUZGJBEYEHME-QMTHXVAHSA-N 1 1 286.335 2.648 20 5 CFBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000895769768 619603315 /nfs/dbraw/zinc/60/33/15/619603315.db2.gz IAVXFCLHOJOWBN-LBPRGKRZSA-N 1 1 293.367 2.888 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2cccc2C1 ZINC000896760025 619808188 /nfs/dbraw/zinc/80/81/88/619808188.db2.gz HPUIIVYNQXHRRG-UTCJRWHESA-N 1 1 283.331 2.925 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2cccc2C1 ZINC000896760025 619808192 /nfs/dbraw/zinc/80/81/92/619808192.db2.gz HPUIIVYNQXHRRG-UTCJRWHESA-N 1 1 283.331 2.925 20 5 CFBDMO CO[C@@H]1CC[C@@H]1N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897142898 619938944 /nfs/dbraw/zinc/93/89/44/619938944.db2.gz VEZRWJUWFBLMJZ-LSDHHAIUSA-N 1 1 287.319 2.757 20 5 CFBDMO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464885 620177054 /nfs/dbraw/zinc/17/70/54/620177054.db2.gz PXOKVIBPWQEIGA-MCIONIFRSA-N 1 1 291.395 2.771 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898161652 620341126 /nfs/dbraw/zinc/34/11/26/620341126.db2.gz GFPLSYJJBFEMJJ-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565056 625417551 /nfs/dbraw/zinc/41/75/51/625417551.db2.gz NGIKUIUUUAWWNS-SMDDNHRTSA-N 1 1 278.352 2.891 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000901519527 620854660 /nfs/dbraw/zinc/85/46/60/620854660.db2.gz DQPQQZALDUHFAA-CYBMUJFWSA-N 1 1 295.314 2.545 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000901519527 620854663 /nfs/dbraw/zinc/85/46/63/620854663.db2.gz DQPQQZALDUHFAA-CYBMUJFWSA-N 1 1 295.314 2.545 20 5 CFBDMO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000902445964 621083869 /nfs/dbraw/zinc/08/38/69/621083869.db2.gz RCHWTONJGAHUOE-YMRXKLBXSA-N 1 1 297.358 2.870 20 5 CFBDMO C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286841 621318304 /nfs/dbraw/zinc/31/83/04/621318304.db2.gz ICZMUSOUUHCTFD-HSMVNMDESA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286841 621318309 /nfs/dbraw/zinc/31/83/09/621318309.db2.gz ICZMUSOUUHCTFD-HSMVNMDESA-N 1 1 289.379 2.728 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000832744522 625505065 /nfs/dbraw/zinc/50/50/65/625505065.db2.gz DWZQMRCWPQKWQI-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000171640076 623236060 /nfs/dbraw/zinc/23/60/60/623236060.db2.gz TVGAJAIBMQKWLX-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171859452 623245870 /nfs/dbraw/zinc/24/58/70/623245870.db2.gz UTYZIXUMSQPGJG-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200207 623260103 /nfs/dbraw/zinc/26/01/03/623260103.db2.gz RSZVZCYVTUBEDF-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCn2ccnc21 ZINC000824522579 623514799 /nfs/dbraw/zinc/51/47/99/623514799.db2.gz XEKLMFUEWAYVKO-HSBHDXMMSA-N 1 1 284.319 2.539 20 5 CFBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929751443 623562347 /nfs/dbraw/zinc/56/23/47/623562347.db2.gz VMSLUXCYYMDDPO-CQSZACIVSA-N 1 1 268.332 2.601 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[C@H]1O ZINC000827152058 623955083 /nfs/dbraw/zinc/95/50/83/623955083.db2.gz PWTKXZVILSINQC-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000827287320 623982510 /nfs/dbraw/zinc/98/25/10/623982510.db2.gz IPDQBHVNCNGOSN-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000915208257 623998696 /nfs/dbraw/zinc/99/86/96/623998696.db2.gz DEKBZBOHQALRBK-BNOWGMLFSA-N 1 1 278.356 2.649 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000916473323 624248463 /nfs/dbraw/zinc/24/84/63/624248463.db2.gz CFVDYBQSRWNEBS-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO CCC1CCC([N@H+](C)Cn2nccc2[N+](=O)[O-])CC1 ZINC000921045396 624802142 /nfs/dbraw/zinc/80/21/42/624802142.db2.gz CLQKEXZZJVNPSW-UHFFFAOYSA-N 1 1 266.345 2.649 20 5 CFBDMO CCC1CCC([N@@H+](C)Cn2nccc2[N+](=O)[O-])CC1 ZINC000921045396 624802148 /nfs/dbraw/zinc/80/21/48/624802148.db2.gz CLQKEXZZJVNPSW-UHFFFAOYSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000174948671 624915787 /nfs/dbraw/zinc/91/57/87/624915787.db2.gz UXXFBZZCKIKWBJ-JTQLQIEISA-N 1 1 268.361 2.734 20 5 CFBDMO Cc1c([C@@H](C)[NH2+][C@H]2CCn3ccnc32)cccc1[N+](=O)[O-] ZINC000834837427 625895256 /nfs/dbraw/zinc/89/52/56/625895256.db2.gz WFQJCRQQMCAKMK-YPMHNXCESA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923496425 626476538 /nfs/dbraw/zinc/47/65/38/626476538.db2.gz IDZHDERHMCPFTB-QWRGUYRKSA-N 1 1 297.786 2.665 20 5 CFBDMO CCC[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000121346214 626506210 /nfs/dbraw/zinc/50/62/10/626506210.db2.gz GCPQQMCZLBHRLO-CYBMUJFWSA-N 1 1 280.372 2.878 20 5 CFBDMO CCC[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000121346214 626506211 /nfs/dbraw/zinc/50/62/11/626506211.db2.gz GCPQQMCZLBHRLO-CYBMUJFWSA-N 1 1 280.372 2.878 20 5 CFBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839462138 626536193 /nfs/dbraw/zinc/53/61/93/626536193.db2.gz ITRHJVBGWJICRH-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839462138 626536194 /nfs/dbraw/zinc/53/61/94/626536194.db2.gz ITRHJVBGWJICRH-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761096329 626803202 /nfs/dbraw/zinc/80/32/02/626803202.db2.gz RDOZVOOBZUEXMD-KCJUWKMLSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761096329 626803206 /nfs/dbraw/zinc/80/32/06/626803206.db2.gz RDOZVOOBZUEXMD-KCJUWKMLSA-N 1 1 252.701 2.842 20 5 CFBDMO CCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764946582 627108209 /nfs/dbraw/zinc/10/82/09/627108209.db2.gz VDBDWRSVVPKBTM-UHFFFAOYSA-N 1 1 262.313 2.552 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636524 627152141 /nfs/dbraw/zinc/15/21/41/627152141.db2.gz QJYNRDNLKWNCPN-QWRGUYRKSA-N 1 1 281.331 2.653 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000765640992 627152549 /nfs/dbraw/zinc/15/25/49/627152549.db2.gz IRQBBOHXSFYCIS-NWDGAFQWSA-N 1 1 263.341 2.514 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000770671341 627539698 /nfs/dbraw/zinc/53/96/98/627539698.db2.gz XHOPWYJHOMTFHU-NSHDSACASA-N 1 1 292.383 2.878 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000770671341 627539699 /nfs/dbraw/zinc/53/96/99/627539699.db2.gz XHOPWYJHOMTFHU-NSHDSACASA-N 1 1 292.383 2.878 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000771234470 627587052 /nfs/dbraw/zinc/58/70/52/627587052.db2.gz SBNRKSCUVFRCLE-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000773083987 627781366 /nfs/dbraw/zinc/78/13/66/627781366.db2.gz AFDRHNTUCWPOBM-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774853037 627971748 /nfs/dbraw/zinc/97/17/48/627971748.db2.gz MLUBDXNCGYGJGN-LLVKDONJSA-N 1 1 279.296 2.877 20 5 CFBDMO CC(C)CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277937 628124865 /nfs/dbraw/zinc/12/48/65/628124865.db2.gz QZPMINQKTHPROP-CQSZACIVSA-N 1 1 266.341 2.606 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279934 628125825 /nfs/dbraw/zinc/12/58/25/628125825.db2.gz VBULHOQUHDRFIP-LSDHHAIUSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC[N@@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579873 628160504 /nfs/dbraw/zinc/16/05/04/628160504.db2.gz PBFWLCLXIGIMHG-HNNXBMFYSA-N 1 1 280.368 2.996 20 5 CFBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581817 628160681 /nfs/dbraw/zinc/16/06/81/628160681.db2.gz MOPHGTJVOICXOX-CQSZACIVSA-N 1 1 264.325 2.503 20 5 CFBDMO CCC(C)(C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593207 628162957 /nfs/dbraw/zinc/16/29/57/628162957.db2.gz RMIGFXSXUSYWPL-ZDUSSCGKSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777951437 628267151 /nfs/dbraw/zinc/26/71/51/628267151.db2.gz JMOHVYSDUZCWAT-UHFFFAOYSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860976 628415270 /nfs/dbraw/zinc/41/52/70/628415270.db2.gz LKMVCCWAFZAZGY-WCQYABFASA-N 1 1 280.372 2.958 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981954 628594702 /nfs/dbraw/zinc/59/47/02/628594702.db2.gz LZMMMDPLUJRYOK-GOEBONIOSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000783639069 628729762 /nfs/dbraw/zinc/72/97/62/628729762.db2.gz YBKPUXZSFIOHQA-CMPLNLGQSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000783639069 628729764 /nfs/dbraw/zinc/72/97/64/628729764.db2.gz YBKPUXZSFIOHQA-CMPLNLGQSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656452 628731904 /nfs/dbraw/zinc/73/19/04/628731904.db2.gz UMKLWVZZHOEOCM-NSHDSACASA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H]1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656452 628731908 /nfs/dbraw/zinc/73/19/08/628731908.db2.gz UMKLWVZZHOEOCM-NSHDSACASA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659052 628731980 /nfs/dbraw/zinc/73/19/80/628731980.db2.gz FYLYMOQUIXPDID-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000805820745 628982017 /nfs/dbraw/zinc/98/20/17/628982017.db2.gz VWJZOQHWQMXYGD-UHFFFAOYSA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@H]([NH2+]Cc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500036 629075060 /nfs/dbraw/zinc/07/50/60/629075060.db2.gz YDXXPUSQIAXQCV-VIFPVBQESA-N 1 1 261.281 2.621 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000791054141 629284225 /nfs/dbraw/zinc/28/42/25/629284225.db2.gz XYOBPBIXTCPXGZ-LBPRGKRZSA-N 1 1 254.717 2.754 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000791054141 629284229 /nfs/dbraw/zinc/28/42/29/629284229.db2.gz XYOBPBIXTCPXGZ-LBPRGKRZSA-N 1 1 254.717 2.754 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000791054060 629284286 /nfs/dbraw/zinc/28/42/86/629284286.db2.gz WTHPZJGPVVVUIU-LBPRGKRZSA-N 1 1 268.744 2.624 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000791054060 629284287 /nfs/dbraw/zinc/28/42/87/629284287.db2.gz WTHPZJGPVVVUIU-LBPRGKRZSA-N 1 1 268.744 2.624 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534982 634773151 /nfs/dbraw/zinc/77/31/51/634773151.db2.gz SPYHJHQZXRPQHO-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533564 634773341 /nfs/dbraw/zinc/77/33/41/634773341.db2.gz AZMWAGSCWOJFRX-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533455 634773419 /nfs/dbraw/zinc/77/34/19/634773419.db2.gz UWVUEALCOSQIJN-IUODEOHRSA-N 1 1 296.342 2.700 20 5 CFBDMO CC1=C(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796592135 629939704 /nfs/dbraw/zinc/93/97/04/629939704.db2.gz AZPAIJXPXZYPPP-HNNXBMFYSA-N 1 1 276.336 2.670 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852559277 634780034 /nfs/dbraw/zinc/78/00/34/634780034.db2.gz HZVQXUBRAIBVFR-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852559277 634780038 /nfs/dbraw/zinc/78/00/38/634780038.db2.gz HZVQXUBRAIBVFR-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800870232 630413259 /nfs/dbraw/zinc/41/32/59/630413259.db2.gz NFQVMTDCHJPBQU-UHFFFAOYSA-N 1 1 292.383 2.711 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000801520917 630452517 /nfs/dbraw/zinc/45/25/17/630452517.db2.gz KLHACFIEIHCQLK-OCCSQVGLSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545217 630456209 /nfs/dbraw/zinc/45/62/09/630456209.db2.gz KXMYOXXDEYPUJC-HFAKWTLXSA-N 1 1 296.342 2.715 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CCCCC2)CC1 ZINC000102393462 630780858 /nfs/dbraw/zinc/78/08/58/630780858.db2.gz YLYHCIKVTSCPQU-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028043 631308923 /nfs/dbraw/zinc/30/89/23/631308923.db2.gz JZQXQYXLNKHPMP-WCQYABFASA-N 1 1 297.786 2.855 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000841691351 631452312 /nfs/dbraw/zinc/45/23/12/631452312.db2.gz CHUFVZXUFDXXOW-UTUOFQBUSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000842167185 631560025 /nfs/dbraw/zinc/56/00/25/631560025.db2.gz SDUHQEMMJANQNJ-FJJYHAOUSA-N 1 1 278.352 2.605 20 5 CFBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000811821880 631628099 /nfs/dbraw/zinc/62/80/99/631628099.db2.gz UEZWBYGCQXPMHU-GJZGRUSLSA-N 1 1 290.363 2.749 20 5 CFBDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635228 631687911 /nfs/dbraw/zinc/68/79/11/631687911.db2.gz LAQSRGGXLBWQQO-GXTWGEPZSA-N 1 1 292.383 2.897 20 5 CFBDMO Cc1ccc(-c2noc([C@H](C)[NH2+]C3CC3)n2)cc1[N+](=O)[O-] ZINC000843178855 631882514 /nfs/dbraw/zinc/88/25/14/631882514.db2.gz NNUSGULQWJAMNW-VIFPVBQESA-N 1 1 288.307 2.766 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000814224639 632041115 /nfs/dbraw/zinc/04/11/15/632041115.db2.gz KYFRSGMKCRFDFV-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000814224639 632041119 /nfs/dbraw/zinc/04/11/19/632041119.db2.gz KYFRSGMKCRFDFV-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000814938713 632174229 /nfs/dbraw/zinc/17/42/29/632174229.db2.gz SFTQCFSMJLXMPU-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000814938713 632174231 /nfs/dbraw/zinc/17/42/31/632174231.db2.gz SFTQCFSMJLXMPU-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CCc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000815583189 632292120 /nfs/dbraw/zinc/29/21/20/632292120.db2.gz YYFWDBIOTKSXFQ-SECBINFHSA-N 1 1 290.323 2.578 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000848506009 633268338 /nfs/dbraw/zinc/26/83/38/633268338.db2.gz NBMIGJNEFUUGJX-CYBMUJFWSA-N 1 1 278.356 2.794 20 5 CFBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848521527 633274662 /nfs/dbraw/zinc/27/46/62/633274662.db2.gz UXSCNMQRNDOJHT-IONNQARKSA-N 1 1 283.715 2.903 20 5 CFBDMO C[C@H](O[NH+]=C(N)[C@@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000848521810 633274704 /nfs/dbraw/zinc/27/47/04/633274704.db2.gz UTISFZNVHASRIC-HOTUBEGUSA-N 1 1 263.297 2.810 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccccc1[N+](=O)[O-] ZINC000848546972 633285004 /nfs/dbraw/zinc/28/50/04/633285004.db2.gz HCZSYEZHTUPDFB-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO Nc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000848786458 633343696 /nfs/dbraw/zinc/34/36/96/633343696.db2.gz QRVBHKOOHXEAEN-TZMCWYRMSA-N 1 1 290.367 2.606 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000111173726 634941989 /nfs/dbraw/zinc/94/19/89/634941989.db2.gz IHUPQHXNLQTCLK-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000111173726 634941995 /nfs/dbraw/zinc/94/19/95/634941995.db2.gz IHUPQHXNLQTCLK-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853588833 635044038 /nfs/dbraw/zinc/04/40/38/635044038.db2.gz HGRLWUPCLWRMOR-CQSZACIVSA-N 1 1 292.383 2.878 20 5 CFBDMO Cc1noc(CO[NH+]=C(N)C2CCCCCC2)c1[N+](=O)[O-] ZINC000853679175 635072414 /nfs/dbraw/zinc/07/24/14/635072414.db2.gz WRTNWSMHWISYMU-UHFFFAOYSA-N 1 1 296.327 2.860 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000856802616 635864643 /nfs/dbraw/zinc/86/46/43/635864643.db2.gz SZXWNXPKTDEFPY-ZDUSSCGKSA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000856802616 635864648 /nfs/dbraw/zinc/86/46/48/635864648.db2.gz SZXWNXPKTDEFPY-ZDUSSCGKSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857857490 636036005 /nfs/dbraw/zinc/03/60/05/636036005.db2.gz VAQQIUUBFNHTJM-ZDUSSCGKSA-N 1 1 286.335 2.528 20 5 CFBDMO C/C=C/C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341138 637631653 /nfs/dbraw/zinc/63/16/53/637631653.db2.gz PRPLIPNUKIPBTL-OOPCZODUSA-N 1 1 278.356 2.735 20 5 CFBDMO C/C=C/C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341138 637631659 /nfs/dbraw/zinc/63/16/59/637631659.db2.gz PRPLIPNUKIPBTL-OOPCZODUSA-N 1 1 278.356 2.735 20 5 CFBDMO COc1cc(N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000866112634 638743112 /nfs/dbraw/zinc/74/31/12/638743112.db2.gz GQKMCDFTUQLMIO-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000866194808 638767104 /nfs/dbraw/zinc/76/71/04/638767104.db2.gz KHTINCPZSFDVES-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000866194808 638767106 /nfs/dbraw/zinc/76/71/06/638767106.db2.gz KHTINCPZSFDVES-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866208356 638771000 /nfs/dbraw/zinc/77/10/00/638771000.db2.gz TZCRAMHEZWJFIL-MFKMUULPSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866581885 638848639 /nfs/dbraw/zinc/84/86/39/638848639.db2.gz BPQQEIZBJFHSMR-VNHYZAJKSA-N 1 1 289.379 2.682 20 5 CFBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000122115759 638937434 /nfs/dbraw/zinc/93/74/34/638937434.db2.gz VWSGCOOOTZREFW-LBPRGKRZSA-N 1 1 266.345 2.649 20 5 CFBDMO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000871764650 641447009 /nfs/dbraw/zinc/44/70/09/641447009.db2.gz MDDZRZZYNROAPF-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO C[C@H]([NH2+]CCN1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020422 641550724 /nfs/dbraw/zinc/55/07/24/641550724.db2.gz HOCAKEAGECXOLA-LBPRGKRZSA-N 1 1 295.358 2.870 20 5 CFBDMO C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000872034516 641565834 /nfs/dbraw/zinc/56/58/34/641565834.db2.gz PJSWNVCXHKKSRP-MNOVXSKESA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036322 641568763 /nfs/dbraw/zinc/56/87/63/641568763.db2.gz RKHBWRUDVJEPMF-NWDGAFQWSA-N 1 1 295.358 2.726 20 5 CFBDMO CC(C)[N@@H+](CCC1OCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000123922056 641584851 /nfs/dbraw/zinc/58/48/51/641584851.db2.gz ROKXJUUKOAPEDV-UHFFFAOYSA-N 1 1 294.351 2.568 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC000872071326 641602401 /nfs/dbraw/zinc/60/24/01/641602401.db2.gz NOLFYXQCIIUILQ-WDEREUQCSA-N 1 1 297.424 2.917 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129798 641657676 /nfs/dbraw/zinc/65/76/76/641657676.db2.gz UTQIKHKGJSFSQL-JHJVBQTASA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129798 641657677 /nfs/dbraw/zinc/65/76/77/641657677.db2.gz UTQIKHKGJSFSQL-JHJVBQTASA-N 1 1 289.379 2.871 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780128 641934594 /nfs/dbraw/zinc/93/45/94/641934594.db2.gz JUJYXYSUQBJPKQ-CHWSQXEVSA-N 1 1 297.305 2.546 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873011423 641984443 /nfs/dbraw/zinc/98/44/43/641984443.db2.gz XBZPXUWDRPHLPQ-GFCCVEGCSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[N@@H+](CCNCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000873036121 641990830 /nfs/dbraw/zinc/99/08/30/641990830.db2.gz SXXHUMDDZWSUPV-UHFFFAOYSA-N 1 1 279.384 2.723 20 5 CFBDMO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000873036121 641990833 /nfs/dbraw/zinc/99/08/33/641990833.db2.gz SXXHUMDDZWSUPV-UHFFFAOYSA-N 1 1 279.384 2.723 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000873060294 641998420 /nfs/dbraw/zinc/99/84/20/641998420.db2.gz HOXQDKBHVXQYRA-GXTWGEPZSA-N 1 1 291.395 2.784 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCO[C@@H](C)C1 ZINC000876684026 642972068 /nfs/dbraw/zinc/97/20/68/642972068.db2.gz GWZSUASWTDOMHV-LBPRGKRZSA-N 1 1 278.352 2.822 20 5 CFBDMO CCC[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876739079 642987718 /nfs/dbraw/zinc/98/77/18/642987718.db2.gz DOIDKDXZPNIGKY-ZDUSSCGKSA-N 1 1 278.352 2.768 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000877461255 643281284 /nfs/dbraw/zinc/28/12/84/643281284.db2.gz CMFOXZFZDXXFLE-OAHLLOKOSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000877621309 643407643 /nfs/dbraw/zinc/40/76/43/643407643.db2.gz QJGBQUJKGSCUGM-NSHDSACASA-N 1 1 278.352 2.557 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3C=CCC3)nc2c1 ZINC000877624178 643410484 /nfs/dbraw/zinc/41/04/84/643410484.db2.gz MCGUFMZVHBSFLY-VIFPVBQESA-N 1 1 259.265 2.544 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000877630990 643414751 /nfs/dbraw/zinc/41/47/51/643414751.db2.gz MBULPJOUPBJDON-CJNGLKHVSA-N 1 1 290.363 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000877630992 643415490 /nfs/dbraw/zinc/41/54/90/643415490.db2.gz MBULPJOUPBJDON-XJKSGUPXSA-N 1 1 290.363 2.680 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000877701699 643465585 /nfs/dbraw/zinc/46/55/85/643465585.db2.gz VBNJNFNOLZOCGD-UHFFFAOYSA-N 1 1 295.358 2.650 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877752828 643531619 /nfs/dbraw/zinc/53/16/19/643531619.db2.gz SWGAKOWLWRXKMU-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877752828 643531624 /nfs/dbraw/zinc/53/16/24/643531624.db2.gz SWGAKOWLWRXKMU-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877795388 643561353 /nfs/dbraw/zinc/56/13/53/643561353.db2.gz JGBAJUZDGINPKZ-CQSZACIVSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1conc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878599160 643952256 /nfs/dbraw/zinc/95/22/56/643952256.db2.gz VFVAWLKDFGAKIK-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1conc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878599160 643952259 /nfs/dbraw/zinc/95/22/59/643952259.db2.gz VFVAWLKDFGAKIK-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000878916475 644073330 /nfs/dbraw/zinc/07/33/30/644073330.db2.gz MASFTXXLWUADII-HIFRSBDPSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000879147210 644158848 /nfs/dbraw/zinc/15/88/48/644158848.db2.gz ZPMJIPWJGKVOSE-MFKMUULPSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000879147210 644158852 /nfs/dbraw/zinc/15/88/52/644158852.db2.gz ZPMJIPWJGKVOSE-MFKMUULPSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879322042 644227263 /nfs/dbraw/zinc/22/72/63/644227263.db2.gz TZFZCYNGMJXWSN-WDEREUQCSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879322042 644227266 /nfs/dbraw/zinc/22/72/66/644227266.db2.gz TZFZCYNGMJXWSN-WDEREUQCSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325229 644232798 /nfs/dbraw/zinc/23/27/98/644232798.db2.gz JKYSRRPPRNFVPN-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325229 644232803 /nfs/dbraw/zinc/23/28/03/644232803.db2.gz JKYSRRPPRNFVPN-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563539 644322187 /nfs/dbraw/zinc/32/21/87/644322187.db2.gz CIQNNRBYRSOIBZ-NWDGAFQWSA-N 1 1 296.367 2.919 20 5 CFBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880109126 644534955 /nfs/dbraw/zinc/53/49/55/644534955.db2.gz QSQIOTIELJOWAN-JTQLQIEISA-N 1 1 290.298 2.683 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000880184636 644567871 /nfs/dbraw/zinc/56/78/71/644567871.db2.gz MTAMBIBJUGGBCY-UHFFFAOYSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1[nH+]ccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097685 650932285 /nfs/dbraw/zinc/93/22/85/650932285.db2.gz VTQPQFIATHXQCM-UHFFFAOYSA-N 1 1 251.673 2.801 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000880233706 644594756 /nfs/dbraw/zinc/59/47/56/644594756.db2.gz DSRBYOXEFDWHJK-GFCCVEGCSA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](CF)C2)c1 ZINC000880235022 644596979 /nfs/dbraw/zinc/59/69/79/644596979.db2.gz MXZUSJLAFOPCEW-GFCCVEGCSA-N 1 1 282.315 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](CF)C3)nc2c1 ZINC000880236809 644599349 /nfs/dbraw/zinc/59/93/49/644599349.db2.gz JKQIMIHDDFHOFQ-SNVBAGLBSA-N 1 1 292.314 2.653 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](CF)C3)nc2c1 ZINC000880236809 644599352 /nfs/dbraw/zinc/59/93/52/644599352.db2.gz JKQIMIHDDFHOFQ-SNVBAGLBSA-N 1 1 292.314 2.653 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129044019 645003333 /nfs/dbraw/zinc/00/33/33/645003333.db2.gz OYFJOEREMURFAU-JTQLQIEISA-N 1 1 297.330 2.793 20 5 CFBDMO C[N@@H+](CCNc1ccnc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000881850447 645141231 /nfs/dbraw/zinc/14/12/31/645141231.db2.gz VGEFJQBOPAPIDO-UHFFFAOYSA-N 1 1 296.346 2.805 20 5 CFBDMO CC(=O)c1c(NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000881903634 645150964 /nfs/dbraw/zinc/15/09/64/645150964.db2.gz HXLLMQHEGJNTKV-UHFFFAOYSA-N 1 1 279.340 2.550 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000882959328 645530604 /nfs/dbraw/zinc/53/06/04/645530604.db2.gz COERUVGGRLEFJT-CYBMUJFWSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000882961053 645532006 /nfs/dbraw/zinc/53/20/06/645532006.db2.gz DAFXTYWFDWNGHP-JTQLQIEISA-N 1 1 292.364 2.711 20 5 CFBDMO CC(C)CC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130698261 645554349 /nfs/dbraw/zinc/55/43/49/645554349.db2.gz PWPWNCNZSJEWRW-GFCCVEGCSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118180 651050310 /nfs/dbraw/zinc/05/03/10/651050310.db2.gz GEGLIJJYHRMNRX-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118180 651050313 /nfs/dbraw/zinc/05/03/13/651050313.db2.gz GEGLIJJYHRMNRX-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000305308943 651057369 /nfs/dbraw/zinc/05/73/69/651057369.db2.gz JBCYQDSVCOSWKC-FZMZJTMJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956594 646783372 /nfs/dbraw/zinc/78/33/72/646783372.db2.gz SWAGWZDXWFEBNJ-SNVBAGLBSA-N 1 1 261.325 2.753 20 5 CFBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885964524 646787301 /nfs/dbraw/zinc/78/73/01/646787301.db2.gz CCQJDJVSTSLDEU-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000885972654 646790053 /nfs/dbraw/zinc/79/00/53/646790053.db2.gz HPBAHWVKIWJOCX-CQSZACIVSA-N 1 1 283.331 2.979 20 5 CFBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018940 646821372 /nfs/dbraw/zinc/82/13/72/646821372.db2.gz JXRXUSVZPXPMBW-STQMWFEESA-N 1 1 293.367 2.625 20 5 CFBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018940 646821377 /nfs/dbraw/zinc/82/13/77/646821377.db2.gz JXRXUSVZPXPMBW-STQMWFEESA-N 1 1 293.367 2.625 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000886021481 646824307 /nfs/dbraw/zinc/82/43/07/646824307.db2.gz XHWIYVDRCNDXQC-WCQYABFASA-N 1 1 261.325 2.754 20 5 CFBDMO CS[C@@H]1CCCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080176 646857536 /nfs/dbraw/zinc/85/75/36/646857536.db2.gz AYCUAYIJTMIGRM-GFCCVEGCSA-N 1 1 281.381 2.707 20 5 CFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886285746 646953008 /nfs/dbraw/zinc/95/30/08/646953008.db2.gz QZUJZIOFUXFSQD-VGPLMAKISA-N 1 1 261.325 2.753 20 5 CFBDMO Cc1ncc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])s1 ZINC000886305392 646959997 /nfs/dbraw/zinc/95/99/97/646959997.db2.gz FQCDPSWLROHUDV-MRVPVSSYSA-N 1 1 278.337 2.606 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cccnc21 ZINC000886522559 647028114 /nfs/dbraw/zinc/02/81/14/647028114.db2.gz MFAIBRDERKKJNY-AWEZNQCLSA-N 1 1 299.330 2.776 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832284 647155757 /nfs/dbraw/zinc/15/57/57/647155757.db2.gz FOMZYJUCOQBLIP-ABAIWWIYSA-N 1 1 294.326 2.735 20 5 CFBDMO C[N@@H+](CCCF)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000887139097 647227592 /nfs/dbraw/zinc/22/75/92/647227592.db2.gz ZQHKXZQWXUNRLE-UHFFFAOYSA-N 1 1 267.260 2.527 20 5 CFBDMO C[C@H]([NH3+])[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496674 647883708 /nfs/dbraw/zinc/88/37/08/647883708.db2.gz RZQBOLATNSNDEL-GUYCJALGSA-N 1 1 299.374 2.815 20 5 CFBDMO Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000929228513 649008423 /nfs/dbraw/zinc/00/84/23/649008423.db2.gz RSOKCKLNKVAFBJ-CQSZACIVSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929370550 649040485 /nfs/dbraw/zinc/04/04/85/649040485.db2.gz ROQFDYQVNVKECF-SECBINFHSA-N 1 1 276.258 2.975 20 5 CFBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929370550 649040488 /nfs/dbraw/zinc/04/04/88/649040488.db2.gz ROQFDYQVNVKECF-SECBINFHSA-N 1 1 276.258 2.975 20 5 CFBDMO CC(C)(C)c1csc(C2CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC000929446032 649050428 /nfs/dbraw/zinc/05/04/28/649050428.db2.gz XBZUXJGEWVMFRN-UHFFFAOYSA-N 1 1 297.424 2.897 20 5 CFBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929723986 649106960 /nfs/dbraw/zinc/10/69/60/649106960.db2.gz NGZSSWXGFWFKCB-AWEZNQCLSA-N 1 1 250.342 2.525 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000929788277 649122817 /nfs/dbraw/zinc/12/28/17/649122817.db2.gz KPZFHCQMAHDFKZ-CYBMUJFWSA-N 1 1 252.289 2.629 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000929788277 649122818 /nfs/dbraw/zinc/12/28/18/649122818.db2.gz KPZFHCQMAHDFKZ-CYBMUJFWSA-N 1 1 252.289 2.629 20 5 CFBDMO O=[N+]([O-])CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000930444818 649248161 /nfs/dbraw/zinc/24/81/61/649248161.db2.gz CSWAUPXIMFZESP-CQSZACIVSA-N 1 1 284.306 2.825 20 5 CFBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC[N+](=O)[O-] ZINC000930482251 649257442 /nfs/dbraw/zinc/25/74/42/649257442.db2.gz ZDIQTBCGNZAQTK-JTQLQIEISA-N 1 1 290.285 2.845 20 5 CFBDMO O=[N+]([O-])CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000930842131 649334059 /nfs/dbraw/zinc/33/40/59/649334059.db2.gz AJISPDVUJQGVBS-UHFFFAOYSA-N 1 1 299.168 2.695 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933745061 649719143 /nfs/dbraw/zinc/71/91/43/649719143.db2.gz KRQDIHXKVXJSNO-IVMMDQJWSA-N 1 1 289.379 2.539 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000934336824 649776286 /nfs/dbraw/zinc/77/62/86/649776286.db2.gz GYXNDCAAPNFJKD-TUKIKUTGSA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000934766046 649825713 /nfs/dbraw/zinc/82/57/13/649825713.db2.gz AURYMRIJTOAEME-OCCSQVGLSA-N 1 1 278.377 2.780 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCc1ccc([N+](=O)[O-])cc1)C2 ZINC001224331829 775159566 /nfs/dbraw/zinc/15/95/66/775159566.db2.gz SPKFCPMDWFQRCJ-ZSHCYNCHSA-N 1 1 290.363 2.779 20 5 CFBDMO CC[N@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333904 775161182 /nfs/dbraw/zinc/16/11/82/775161182.db2.gz NZAKKHXZZWPHNS-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1[nH]c(CNc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000724788245 775245001 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CFBDMO Cc1c(O[C@H]2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001225689882 775560346 /nfs/dbraw/zinc/56/03/46/775560346.db2.gz QIGUSYDCVWZLFO-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226191851 775733045 /nfs/dbraw/zinc/73/30/45/775733045.db2.gz SUBBLTWMCNTZBK-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1F)C2 ZINC001226265247 775761948 /nfs/dbraw/zinc/76/19/48/775761948.db2.gz HHDUVTDBJLSTAR-IAZYJMLFSA-N 1 1 280.299 2.738 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762898 775952947 /nfs/dbraw/zinc/95/29/47/775952947.db2.gz XLOLIQHPRIQKJX-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226764329 775953926 /nfs/dbraw/zinc/95/39/26/775953926.db2.gz HUVWGMQTWURNOO-ZDUSSCGKSA-N 1 1 279.340 2.550 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226764327 775954628 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CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000594961820 349531363 /nfs/dbraw/zinc/53/13/63/349531363.db2.gz IXIUDRSKMAOCON-AWEZNQCLSA-N 1 1 277.368 2.557 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000595006627 349545966 /nfs/dbraw/zinc/54/59/66/349545966.db2.gz MFQXNPXATLIICM-LLVKDONJSA-N 1 1 295.383 2.594 20 5 CFBDMO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000595331251 349603365 /nfs/dbraw/zinc/60/33/65/349603365.db2.gz OOJXVAHCHIBIEC-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595297380 349594495 /nfs/dbraw/zinc/59/44/95/349594495.db2.gz DPBKOQPLGJXIAH-NSHDSACASA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595296866 349595205 /nfs/dbraw/zinc/59/52/05/349595205.db2.gz MYNDBVIRZCRXCE-CYBMUJFWSA-N 1 1 287.319 2.881 20 5 CFBDMO Cc1noc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595339967 349605555 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ZINC000595696326 349705834 /nfs/dbraw/zinc/70/58/34/349705834.db2.gz KCBSIRGHKPAPRF-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752095 349722466 /nfs/dbraw/zinc/72/24/66/349722466.db2.gz SDSQWSZASAWDCX-BLLLJJGKSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704817 349711547 /nfs/dbraw/zinc/71/15/47/349711547.db2.gz WAEWALDVOFULDK-CJNGLKHVSA-N 1 1 292.379 2.620 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000595808073 349736487 /nfs/dbraw/zinc/73/64/87/349736487.db2.gz KXCKLVJXPARMEJ-UWVGGRQHSA-N 1 1 273.292 2.578 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595806756 349736796 /nfs/dbraw/zinc/73/67/96/349736796.db2.gz FYJPETNWDWYRNR-RYUDHWBXSA-N 1 1 276.336 2.835 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595764549 349727285 /nfs/dbraw/zinc/72/72/85/349727285.db2.gz BGBMFRZBZRYBJD-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595764549 349727290 /nfs/dbraw/zinc/72/72/90/349727290.db2.gz BGBMFRZBZRYBJD-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000595872153 349758342 /nfs/dbraw/zinc/75/83/42/349758342.db2.gz CYPOZJHDOPQIMS-UHFFFAOYSA-N 1 1 297.374 2.944 20 5 CFBDMO Cc1noc(C[N@@H+](CCC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000595870814 349758593 /nfs/dbraw/zinc/75/85/93/349758593.db2.gz GJPYESWHAAFAOB-UHFFFAOYSA-N 1 1 279.340 2.903 20 5 CFBDMO CC12CC(C1)C[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595920790 349769836 /nfs/dbraw/zinc/76/98/36/349769836.db2.gz WFYYKLICHKPNEW-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO CC12CC(C1)C[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595920790 349769839 /nfs/dbraw/zinc/76/98/39/349769839.db2.gz WFYYKLICHKPNEW-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294979844 199281080 /nfs/dbraw/zinc/28/10/80/199281080.db2.gz GMBFYZFDHCZRGL-CYBMUJFWSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596129152 349801207 /nfs/dbraw/zinc/80/12/07/349801207.db2.gz OFXWAJXLCGGWCN-NSHDSACASA-N 1 1 283.397 2.743 20 5 CFBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000072870452 346945099 /nfs/dbraw/zinc/94/50/99/346945099.db2.gz KDWYBHOOEHFFSZ-TXEJJXNPSA-N 1 1 291.351 2.511 20 5 CFBDMO Cn1c[nH+]cc1CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000596242763 349838288 /nfs/dbraw/zinc/83/82/88/349838288.db2.gz XUTYHXJBVGLDQJ-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000596244887 349838884 /nfs/dbraw/zinc/83/88/84/349838884.db2.gz VJDMLWCIRQFWGJ-AWEZNQCLSA-N 1 1 295.408 2.887 20 5 CFBDMO Cc1cnc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308807 349858957 /nfs/dbraw/zinc/85/89/57/349858957.db2.gz VUULYJRRENQJNS-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000596335735 349868263 /nfs/dbraw/zinc/86/82/63/349868263.db2.gz HUFUBHDIZBEKAI-SECBINFHSA-N 1 1 269.370 2.941 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596337668 349868963 /nfs/dbraw/zinc/86/89/63/349868963.db2.gz ZQWIVHWSHFKAAJ-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO Cc1cnc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337422 349869194 /nfs/dbraw/zinc/86/91/94/349869194.db2.gz WXGJPFRYYWPTRF-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287324 347007329 /nfs/dbraw/zinc/00/73/29/347007329.db2.gz JBLWRKVIUALYIY-CABCVRRESA-N 1 1 278.352 2.720 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413084366 530057873 /nfs/dbraw/zinc/05/78/73/530057873.db2.gz NDQVKTLKKBPUFJ-CYBMUJFWSA-N 1 1 286.335 2.649 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450305554 535010277 /nfs/dbraw/zinc/01/02/77/535010277.db2.gz WRHPEZLLRZHONU-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCCCC1 ZINC000007782009 346219504 /nfs/dbraw/zinc/21/95/04/346219504.db2.gz CJUQJGWVZORCSZ-UHFFFAOYSA-N 1 1 291.351 2.718 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030269455 346287621 /nfs/dbraw/zinc/28/76/21/346287621.db2.gz IOKPXBPAAKFWGI-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000048999598 346478443 /nfs/dbraw/zinc/47/84/43/346478443.db2.gz LGJHUYSWVOHJRH-QWRGUYRKSA-N 1 1 299.396 2.568 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(C)C ZINC000053361048 346543773 /nfs/dbraw/zinc/54/37/73/346543773.db2.gz BMNRDUDYSHAYSD-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCCC1 ZINC000053814244 346552795 /nfs/dbraw/zinc/55/27/95/346552795.db2.gz PTTIKUJVOHMAKT-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000060333536 346662523 /nfs/dbraw/zinc/66/25/23/346662523.db2.gz YSVXQSUGZKSNQH-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO CCOC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000060484535 346667024 /nfs/dbraw/zinc/66/70/24/346667024.db2.gz IOMSLIRTXWLGTG-UHFFFAOYSA-N 1 1 270.354 2.657 20 5 CFBDMO CCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000060843481 346672312 /nfs/dbraw/zinc/67/23/12/346672312.db2.gz MJOHNXKXXSJAOH-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000078252150 347234775 /nfs/dbraw/zinc/23/47/75/347234775.db2.gz WNGYAJGRIGPJBM-UHFFFAOYSA-N 1 1 281.356 2.747 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000078332809 347241946 /nfs/dbraw/zinc/24/19/46/347241946.db2.gz OOZUUUPPLRLYID-BXUZGUMPSA-N 1 1 295.358 2.900 20 5 CFBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000080599393 347368822 /nfs/dbraw/zinc/36/88/22/347368822.db2.gz BBAXXLWWWBPLCB-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000081521490 347424112 /nfs/dbraw/zinc/42/41/12/347424112.db2.gz IMJZJPUPRKLAJF-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093105948 347661663 /nfs/dbraw/zinc/66/16/63/347661663.db2.gz MNEDTTITFIWKQS-GBXSZLQWSA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685987 347640572 /nfs/dbraw/zinc/64/05/72/347640572.db2.gz WJKYPJAQKUAMHU-BBRMVZONSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094659411 347696057 /nfs/dbraw/zinc/69/60/57/347696057.db2.gz WVZVBJUSDDUOTI-LBPRGKRZSA-N 1 1 275.352 2.799 20 5 CFBDMO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000114987980 347776296 /nfs/dbraw/zinc/77/62/96/347776296.db2.gz RZCRPRFBKSBAGG-UHFFFAOYSA-N 1 1 283.759 2.779 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000142906120 347935492 /nfs/dbraw/zinc/93/54/92/347935492.db2.gz HLFMXYFOBRTOMB-GFCCVEGCSA-N 1 1 295.770 2.923 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000155475094 347987310 /nfs/dbraw/zinc/98/73/10/347987310.db2.gz KQFIHFISKNYAGY-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000198626986 348150236 /nfs/dbraw/zinc/15/02/36/348150236.db2.gz QTSZXGFHAIJUPS-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000198626986 348150239 /nfs/dbraw/zinc/15/02/39/348150239.db2.gz QTSZXGFHAIJUPS-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000270204815 348330885 /nfs/dbraw/zinc/33/08/85/348330885.db2.gz FCRKVZNTZLZBQX-UHFFFAOYSA-N 1 1 272.308 2.656 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220525770 539620946 /nfs/dbraw/zinc/62/09/46/539620946.db2.gz GIKVYJJVXOKLOM-SNVBAGLBSA-N 1 1 291.355 2.613 20 5 CFBDMO C[C@@H]1COCC[N@@H+]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000413004870 233000476 /nfs/dbraw/zinc/00/04/76/233000476.db2.gz YBISHPBGQXBYRD-GFCCVEGCSA-N 1 1 296.392 2.549 20 5 CFBDMO C[C@@H]1COCC[N@H+]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000413004870 233000479 /nfs/dbraw/zinc/00/04/79/233000479.db2.gz YBISHPBGQXBYRD-GFCCVEGCSA-N 1 1 296.392 2.549 20 5 CFBDMO Cc1c(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382697 348591183 /nfs/dbraw/zinc/59/11/83/348591183.db2.gz NCMZXYMDCYCQBX-DOMZBBRYSA-N 1 1 291.395 2.853 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000587415894 348762044 /nfs/dbraw/zinc/76/20/44/348762044.db2.gz HCUNSYPKXODEOP-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO CCCC[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494184 348836119 /nfs/dbraw/zinc/83/61/19/348836119.db2.gz CIPUJLWEDIQCOE-UHFFFAOYSA-N 1 1 280.324 2.613 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591505420 349027584 /nfs/dbraw/zinc/02/75/84/349027584.db2.gz OGDDVJXOLCVVGA-AWEZNQCLSA-N 1 1 290.363 2.783 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000592121766 349086323 /nfs/dbraw/zinc/08/63/23/349086323.db2.gz ICZBLLPHLLRDNG-AWEZNQCLSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[N@H+](CCSC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000592205700 349100847 /nfs/dbraw/zinc/10/08/47/349100847.db2.gz ZQAPQPXWFFDCBG-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CC[N@@H+](CCSC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000592205700 349100852 /nfs/dbraw/zinc/10/08/52/349100852.db2.gz ZQAPQPXWFFDCBG-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000593115367 349211879 /nfs/dbraw/zinc/21/18/79/349211879.db2.gz IVBDZADDADISOH-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000593115367 349211884 /nfs/dbraw/zinc/21/18/84/349211884.db2.gz IVBDZADDADISOH-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593056746 349195791 /nfs/dbraw/zinc/19/57/91/349195791.db2.gz OLXDCYGIPKPYPL-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593056746 349195793 /nfs/dbraw/zinc/19/57/93/349195793.db2.gz OLXDCYGIPKPYPL-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1ccc(CNCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593647068 349303647 /nfs/dbraw/zinc/30/36/47/349303647.db2.gz VRYSPMOVAUSUFM-UHFFFAOYSA-N 1 1 293.411 2.971 20 5 CFBDMO Cc1noc([C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037818 349359111 /nfs/dbraw/zinc/35/91/11/349359111.db2.gz SZALNTDREPESCG-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1noc([C@@H](C)[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037818 349359116 /nfs/dbraw/zinc/35/91/16/349359116.db2.gz SZALNTDREPESCG-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597207636 350055948 /nfs/dbraw/zinc/05/59/48/350055948.db2.gz ZPPPPJACEIXHIC-INIZCTEOSA-N 1 1 290.363 2.640 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN)C1CCCCC1 ZINC000414833506 233371421 /nfs/dbraw/zinc/37/14/21/233371421.db2.gz FVPRUUYJKDQVRK-INIZCTEOSA-N 1 1 291.395 2.900 20 5 CFBDMO CCOc1cncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000598641915 350299795 /nfs/dbraw/zinc/29/97/95/350299795.db2.gz YZBAIFIHYDGTOQ-UHFFFAOYSA-N 1 1 287.319 2.678 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598645349 350300802 /nfs/dbraw/zinc/30/08/02/350300802.db2.gz HFOWSOLUIUMCQF-YRGRVCCFSA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1c(C[N@H+]2CC(C)(C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000598647999 350301033 /nfs/dbraw/zinc/30/10/33/350301033.db2.gz NJQACWSPEVQVIZ-CQSZACIVSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](C3CC3)C2)ccc2cnccc21 ZINC000599026149 350361084 /nfs/dbraw/zinc/36/10/84/350361084.db2.gz BPKUIIWOVJYACF-GFCCVEGCSA-N 1 1 298.346 2.792 20 5 CFBDMO COCCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000599506711 350448251 /nfs/dbraw/zinc/44/82/51/350448251.db2.gz GJRGRHBARDCJCE-UHFFFAOYSA-N 1 1 284.381 2.905 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599635060 350468899 /nfs/dbraw/zinc/46/88/99/350468899.db2.gz IBILBJXCTPLFRY-IVMMDQJWSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680015 350596413 /nfs/dbraw/zinc/59/64/13/350596413.db2.gz QYWZQZICECNODV-VNHYZAJKSA-N 1 1 291.395 2.646 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680014 350596439 /nfs/dbraw/zinc/59/64/39/350596439.db2.gz QYWZQZICECNODV-UMVBOHGHSA-N 1 1 291.395 2.646 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680013 350596627 /nfs/dbraw/zinc/59/66/27/350596627.db2.gz QYWZQZICECNODV-NFAWXSAZSA-N 1 1 291.395 2.646 20 5 CFBDMO CC[C@H](O)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120043 350673747 /nfs/dbraw/zinc/67/37/47/350673747.db2.gz ZJBJEOSLXGLRAA-LBPRGKRZSA-N 1 1 289.335 2.528 20 5 CFBDMO C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000601223475 350702300 /nfs/dbraw/zinc/70/23/00/350702300.db2.gz CONDEFLDENQLGH-FTGAXOIBSA-N 1 1 287.319 2.543 20 5 CFBDMO COCC1=CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601146029 350682181 /nfs/dbraw/zinc/68/21/81/350682181.db2.gz ZOPXGLWQMRSAQG-UHFFFAOYSA-N 1 1 299.330 2.926 20 5 CFBDMO CN(CCCCCO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601155620 350683891 /nfs/dbraw/zinc/68/38/91/350683891.db2.gz BZGINYMNLONNDB-UHFFFAOYSA-N 1 1 289.335 2.742 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC(F)(F)C3)c2c1 ZINC000601156134 350684650 /nfs/dbraw/zinc/68/46/50/350684650.db2.gz RUTAQEOCGFEZGM-UHFFFAOYSA-N 1 1 279.246 2.775 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601969291 350821759 /nfs/dbraw/zinc/82/17/59/350821759.db2.gz BLTODOUJAYQYTM-AWEZNQCLSA-N 1 1 291.395 2.771 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCC1 ZINC000111298549 186393157 /nfs/dbraw/zinc/39/31/57/186393157.db2.gz SICDZMQEEYVNDG-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H]2CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602454763 350889000 /nfs/dbraw/zinc/88/90/00/350889000.db2.gz UBQPYJIVAUJIQM-LBPRGKRZSA-N 1 1 280.372 2.729 20 5 CFBDMO Cn1cc(C[N@@H+](C)CCC2CCCCC2)c([N+](=O)[O-])n1 ZINC000602468234 350893951 /nfs/dbraw/zinc/89/39/51/350893951.db2.gz ZKVNHAMGSXEICY-UHFFFAOYSA-N 1 1 280.372 2.731 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccns1 ZINC000602659701 350964585 /nfs/dbraw/zinc/96/45/85/350964585.db2.gz VMIMDBLFROHNLQ-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731822 351004861 /nfs/dbraw/zinc/00/48/61/351004861.db2.gz YECSDFDSYGTCLA-AAOUONPWSA-N 1 1 278.356 2.507 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000602766033 351018269 /nfs/dbraw/zinc/01/82/69/351018269.db2.gz NZXXRPFODOHDLO-JTQLQIEISA-N 1 1 294.380 2.854 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(C)c1 ZINC000602767737 351018567 /nfs/dbraw/zinc/01/85/67/351018567.db2.gz IWPJLFXPLUECMZ-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000602797574 351029026 /nfs/dbraw/zinc/02/90/26/351029026.db2.gz KCQCGIVRCMWFAN-GFCCVEGCSA-N 1 1 292.383 2.612 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cnccn1)C1CC1 ZINC000602799398 351029499 /nfs/dbraw/zinc/02/94/99/351029499.db2.gz SIVHKFOSMPQFJJ-UHFFFAOYSA-N 1 1 298.346 2.592 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602897426 351060322 /nfs/dbraw/zinc/06/03/22/351060322.db2.gz JFGDNGSBMKYYIM-OAHLLOKOSA-N 1 1 298.346 2.764 20 5 CFBDMO CC(C)([NH2+]Cc1ccncc1N)c1ccccc1[N+](=O)[O-] ZINC000603426328 351162641 /nfs/dbraw/zinc/16/26/41/351162641.db2.gz GHHGMSSWYOYLRG-UHFFFAOYSA-N 1 1 286.335 2.597 20 5 CFBDMO CC[N@@H+](CCSC)Cc1cccc([N+](=O)[O-])c1 ZINC000603603695 351175826 /nfs/dbraw/zinc/17/58/26/351175826.db2.gz QHRIUMZZGCCOMR-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000604408746 351211325 /nfs/dbraw/zinc/21/13/25/351211325.db2.gz GNOQENRZHCGVGK-VIFPVBQESA-N 1 1 255.343 2.553 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000604409323 351211553 /nfs/dbraw/zinc/21/15/53/351211553.db2.gz YMMARATZHRPLGV-SNVBAGLBSA-N 1 1 269.370 2.943 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000604433468 351212297 /nfs/dbraw/zinc/21/22/97/351212297.db2.gz IRSLIVYMQMJLAA-SNVBAGLBSA-N 1 1 269.370 2.943 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000608972742 351482699 /nfs/dbraw/zinc/48/26/99/351482699.db2.gz LISGWHBZRHHJFB-UHFFFAOYSA-N 1 1 292.383 2.546 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609204247 351491904 /nfs/dbraw/zinc/49/19/04/351491904.db2.gz YRUMHMALACOPFF-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000610279788 351548154 /nfs/dbraw/zinc/54/81/54/351548154.db2.gz BKFBYGCQWJGSEB-BDAKNGLRSA-N 1 1 255.343 2.551 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCOC1 ZINC000610476270 351569117 /nfs/dbraw/zinc/56/91/17/351569117.db2.gz YOLMVYUGCNBSOT-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762738 351605962 /nfs/dbraw/zinc/60/59/62/351605962.db2.gz RPUOZSSIDFGOJQ-ZWNOBZJWSA-N 1 1 262.309 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762738 351605966 /nfs/dbraw/zinc/60/59/66/351605966.db2.gz RPUOZSSIDFGOJQ-ZWNOBZJWSA-N 1 1 262.309 2.588 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179632 351648211 /nfs/dbraw/zinc/64/82/11/351648211.db2.gz GSZPLKHEYPJBCC-JTQLQIEISA-N 1 1 256.252 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000611179688 351648569 /nfs/dbraw/zinc/64/85/69/351648569.db2.gz HOVBJBCKQHFFFH-LLVKDONJSA-N 1 1 270.279 2.724 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179633 351648779 /nfs/dbraw/zinc/64/87/79/351648779.db2.gz GSZPLKHEYPJBCC-SNVBAGLBSA-N 1 1 256.252 2.682 20 5 CFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000611202987 351651531 /nfs/dbraw/zinc/65/15/31/351651531.db2.gz XBTGOOILEHKGQI-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222070 351652322 /nfs/dbraw/zinc/65/23/22/351652322.db2.gz WNUYNDIPNRRCQN-ZJUUUORDSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222070 351652326 /nfs/dbraw/zinc/65/23/26/351652326.db2.gz WNUYNDIPNRRCQN-ZJUUUORDSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611221662 351652651 /nfs/dbraw/zinc/65/26/51/351652651.db2.gz JHPBMGQDRIYHEM-ZJUUUORDSA-N 1 1 298.774 2.562 20 5 CFBDMO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611252947 351657545 /nfs/dbraw/zinc/65/75/45/351657545.db2.gz OUGCNVGEYYRROU-LLVKDONJSA-N 1 1 274.324 2.819 20 5 CFBDMO Cc1n[nH]cc1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611252947 351657547 /nfs/dbraw/zinc/65/75/47/351657547.db2.gz OUGCNVGEYYRROU-LLVKDONJSA-N 1 1 274.324 2.819 20 5 CFBDMO CC(C)(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000611269802 351661074 /nfs/dbraw/zinc/66/10/74/351661074.db2.gz ZFQQKHQUWKDRFJ-VURMDHGXSA-N 1 1 292.379 2.948 20 5 CFBDMO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@H+]1C ZINC000611413137 351686017 /nfs/dbraw/zinc/68/60/17/351686017.db2.gz UEHYNJVQJGOIBX-IUCAKERBSA-N 1 1 255.343 2.551 20 5 CFBDMO COc1cc(C[N@@H+](C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000611516541 351702601 /nfs/dbraw/zinc/70/26/01/351702601.db2.gz XVJIXJWDUXPZRY-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C ZINC000611285455 351664589 /nfs/dbraw/zinc/66/45/89/351664589.db2.gz FAOZMAJUZLJTAH-MNOVXSKESA-N 1 1 292.335 2.596 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370298 351675408 /nfs/dbraw/zinc/67/54/08/351675408.db2.gz LTXLJMRQUTYNNR-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO COc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000611943588 351754169 /nfs/dbraw/zinc/75/41/69/351754169.db2.gz PRDZVMMLBQNAJR-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1cc(NC[C@@H](C)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000122198749 187020620 /nfs/dbraw/zinc/02/06/20/187020620.db2.gz ZIKRNMGEGBLUMW-LLVKDONJSA-N 1 1 288.351 2.813 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291758773 198082958 /nfs/dbraw/zinc/08/29/58/198082958.db2.gz LADDOHYJJPXBLO-SWLSCSKDSA-N 1 1 286.335 2.799 20 5 CFBDMO C[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122992257 187064586 /nfs/dbraw/zinc/06/45/86/187064586.db2.gz LUPZLJAYIMEOPY-UWVGGRQHSA-N 1 1 279.315 2.771 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cn[nH]c1 ZINC000615835638 352247650 /nfs/dbraw/zinc/24/76/50/352247650.db2.gz WRONBKVQWCCSRF-WUXMJOGZSA-N 1 1 286.335 2.853 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561406 191212118 /nfs/dbraw/zinc/21/21/18/191212118.db2.gz PTBAXYRFTJRYKP-NWDGAFQWSA-N 1 1 291.351 2.796 20 5 CFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2COC)ccc1[N+](=O)[O-] ZINC000617206900 352514081 /nfs/dbraw/zinc/51/40/81/352514081.db2.gz WIUCYSLDAGRONK-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ncn1 ZINC000292161188 198186782 /nfs/dbraw/zinc/18/67/82/198186782.db2.gz OORGJARNRHAWPF-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000154147579 188126235 /nfs/dbraw/zinc/12/62/35/188126235.db2.gz QZNSMSNRSPELTD-NSHDSACASA-N 1 1 284.743 2.717 20 5 CFBDMO CC(C)[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292477403 198302305 /nfs/dbraw/zinc/30/23/05/198302305.db2.gz AEPATQPLFXSMSA-HNNXBMFYSA-N 1 1 278.352 2.576 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000157404478 188315332 /nfs/dbraw/zinc/31/53/32/188315332.db2.gz LQZFKTWLWBGIFI-LBPRGKRZSA-N 1 1 292.364 2.690 20 5 CFBDMO C[N@@H+](CCc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000172154403 188784723 /nfs/dbraw/zinc/78/47/23/188784723.db2.gz NGXNJDHDVYAFQM-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272995019 192012365 /nfs/dbraw/zinc/01/23/65/192012365.db2.gz QMTAKHHXIXTEDL-NSHDSACASA-N 1 1 261.325 2.657 20 5 CFBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294706095 199144288 /nfs/dbraw/zinc/14/42/88/199144288.db2.gz BDHMVRNOMYCADQ-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179396283 189191046 /nfs/dbraw/zinc/19/10/46/189191046.db2.gz IOHZKRWTMUXFLD-LBPRGKRZSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1c([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423346302 238396108 /nfs/dbraw/zinc/39/61/08/238396108.db2.gz ZSJZEHACFUJNJU-CZUORRHYSA-N 1 1 291.395 2.944 20 5 CFBDMO Cc1nc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653871 201119628 /nfs/dbraw/zinc/11/96/28/201119628.db2.gz RIZWVSLFJZDNPQ-RYUDHWBXSA-N 1 1 292.383 2.831 20 5 CFBDMO COc1cc(C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000184225439 189380059 /nfs/dbraw/zinc/38/00/59/189380059.db2.gz DFRHWMVLHKQCKR-UHFFFAOYSA-N 1 1 282.315 2.974 20 5 CFBDMO COc1cc(C[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000184225439 189380060 /nfs/dbraw/zinc/38/00/60/189380060.db2.gz DFRHWMVLHKQCKR-UHFFFAOYSA-N 1 1 282.315 2.974 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426526522 239236245 /nfs/dbraw/zinc/23/62/45/239236245.db2.gz TXBRJPSYSBQSSZ-WFASDCNBSA-N 1 1 276.336 2.848 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000433790117 240176953 /nfs/dbraw/zinc/17/69/53/240176953.db2.gz TZEBHKDHUWYSKZ-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613487 240331085 /nfs/dbraw/zinc/33/10/85/240331085.db2.gz KDQWEVOZVJTRPU-OAHLLOKOSA-N 1 1 291.395 2.867 20 5 CFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000444587807 241149820 /nfs/dbraw/zinc/14/98/20/241149820.db2.gz CMACXCVAVZBIGX-UHFFFAOYSA-N 1 1 276.340 2.949 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(CCC4)C3)nc2c1 ZINC000444651478 241160543 /nfs/dbraw/zinc/16/05/43/241160543.db2.gz RDUPPAZKUGZKAA-UHFFFAOYSA-N 1 1 286.335 2.847 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC4(CCC4)C3)nc2c1 ZINC000444651478 241160547 /nfs/dbraw/zinc/16/05/47/241160547.db2.gz RDUPPAZKUGZKAA-UHFFFAOYSA-N 1 1 286.335 2.847 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC23CCC3)c1 ZINC000444780853 241193881 /nfs/dbraw/zinc/19/38/81/241193881.db2.gz GGENNEUQSPAMSD-UHFFFAOYSA-N 1 1 276.336 2.992 20 5 CFBDMO Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000446973123 241342417 /nfs/dbraw/zinc/34/24/17/241342417.db2.gz YVLALOXBFCNFDQ-UHFFFAOYSA-N 1 1 282.303 2.814 20 5 CFBDMO CCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000449607668 242060762 /nfs/dbraw/zinc/06/07/62/242060762.db2.gz BYLPNURDAZUTMC-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688878 242108786 /nfs/dbraw/zinc/10/87/86/242108786.db2.gz WQKAINOIGQATSD-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449758386 242141072 /nfs/dbraw/zinc/14/10/72/242141072.db2.gz GMJZKNKSQANMNH-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452029511 243016373 /nfs/dbraw/zinc/01/63/73/243016373.db2.gz JRZIBFIBWNVNCF-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000452035202 243017588 /nfs/dbraw/zinc/01/75/88/243017588.db2.gz GLKCTMBGXCTQEM-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275974468 193178235 /nfs/dbraw/zinc/17/82/35/193178235.db2.gz MAJXFSABONEWND-ZKKXHLJNSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452070678 243033100 /nfs/dbraw/zinc/03/31/00/243033100.db2.gz GLQGMFUUYVNWTL-GFCCVEGCSA-N 1 1 280.372 2.549 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330691289 203120652 /nfs/dbraw/zinc/12/06/52/203120652.db2.gz BCJICWUEUQNCJX-GJZGRUSLSA-N 1 1 292.379 2.824 20 5 CFBDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690217 203120664 /nfs/dbraw/zinc/12/06/64/203120664.db2.gz AMXPXIAZCNYRDG-CHWSQXEVSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000330812311 203265939 /nfs/dbraw/zinc/26/59/39/203265939.db2.gz PBHIYSJMUUJERF-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000330812311 203265942 /nfs/dbraw/zinc/26/59/42/203265942.db2.gz PBHIYSJMUUJERF-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920651 203389618 /nfs/dbraw/zinc/38/96/18/203389618.db2.gz ZUJSQCKYIRPBSA-GXTWGEPZSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cn[nH]c2)C2CC2)c1 ZINC000459356596 245154324 /nfs/dbraw/zinc/15/43/24/245154324.db2.gz YFNRSAFZXDAWAO-UHFFFAOYSA-N 1 1 286.335 2.525 20 5 CFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000459676293 245268040 /nfs/dbraw/zinc/26/80/40/245268040.db2.gz NNNVBVYUFIZOQW-OAHLLOKOSA-N 1 1 278.352 2.986 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014194172 372064290 /nfs/dbraw/zinc/06/42/90/372064290.db2.gz YZIVAZDXXYFFPP-TXEJJXNPSA-N 1 1 291.351 2.796 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014194172 372064298 /nfs/dbraw/zinc/06/42/98/372064298.db2.gz YZIVAZDXXYFFPP-TXEJJXNPSA-N 1 1 291.351 2.796 20 5 CFBDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092034 372228351 /nfs/dbraw/zinc/22/83/51/372228351.db2.gz VFWBSNOHTSHATJ-SWLSCSKDSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092034 372228358 /nfs/dbraw/zinc/22/83/58/372228358.db2.gz VFWBSNOHTSHATJ-SWLSCSKDSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000041014872 372804512 /nfs/dbraw/zinc/80/45/12/372804512.db2.gz DUDDSDQGCRTVHX-CYBMUJFWSA-N 1 1 260.297 2.559 20 5 CFBDMO C[N@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963766 373337859 /nfs/dbraw/zinc/33/78/59/373337859.db2.gz QEQIRVJHPFYMEN-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO Cc1c(NC(=O)CC[N@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184859 373466862 /nfs/dbraw/zinc/46/68/62/373466862.db2.gz XRHYCSLRSJILAK-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184888 373466977 /nfs/dbraw/zinc/46/69/77/373466977.db2.gz MHUVCNHNXQROLJ-NSHDSACASA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417567 383693653 /nfs/dbraw/zinc/69/36/53/383693653.db2.gz RRRUFWMCACTAMP-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417567 383693656 /nfs/dbraw/zinc/69/36/56/383693656.db2.gz RRRUFWMCACTAMP-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417567 383693663 /nfs/dbraw/zinc/69/36/63/383693663.db2.gz RRRUFWMCACTAMP-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000065353068 373857443 /nfs/dbraw/zinc/85/74/43/373857443.db2.gz CCONCDDPKRYXLQ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000065353068 373857448 /nfs/dbraw/zinc/85/74/48/373857448.db2.gz CCONCDDPKRYXLQ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO [NH3+]CC[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171026 374137871 /nfs/dbraw/zinc/13/78/71/374137871.db2.gz HMZGWGASYFMYBO-LLVKDONJSA-N 1 1 297.786 2.809 20 5 CFBDMO CCCc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000070424258 374173575 /nfs/dbraw/zinc/17/35/75/374173575.db2.gz KAKWCLGUXDQEAY-UHFFFAOYSA-N 1 1 259.309 2.987 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072859924 374294516 /nfs/dbraw/zinc/29/45/16/374294516.db2.gz VKUKQKJWRFFECO-AWEZNQCLSA-N 1 1 291.395 2.677 20 5 CFBDMO CCOC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000081520348 374702956 /nfs/dbraw/zinc/70/29/56/374702956.db2.gz IDXQPNXVRRXMJY-SNVBAGLBSA-N 1 1 270.354 2.515 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000081520348 374702962 /nfs/dbraw/zinc/70/29/62/374702962.db2.gz IDXQPNXVRRXMJY-SNVBAGLBSA-N 1 1 270.354 2.515 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000093821921 375316830 /nfs/dbraw/zinc/31/68/30/375316830.db2.gz NAWAEEIMMKRRQF-CQSZACIVSA-N 1 1 280.368 2.742 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000093821920 375317171 /nfs/dbraw/zinc/31/71/71/375317171.db2.gz NAWAEEIMMKRRQF-AWEZNQCLSA-N 1 1 280.368 2.742 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000093839727 375319200 /nfs/dbraw/zinc/31/92/00/375319200.db2.gz YNCCAVMSIWKZJZ-DIECRNLCSA-N 1 1 276.336 2.576 20 5 CFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000094774595 375377880 /nfs/dbraw/zinc/37/78/80/375377880.db2.gz DVHYWHATCRHMMD-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000112567432 375933236 /nfs/dbraw/zinc/93/32/36/375933236.db2.gz UCXBCPIKOZYYLA-UHFFFAOYSA-N 1 1 280.368 2.825 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000112614007 375937863 /nfs/dbraw/zinc/93/78/63/375937863.db2.gz AABJQTOMYWMWCN-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119902076 376501261 /nfs/dbraw/zinc/50/12/61/376501261.db2.gz WUXYDRQDXPDQOJ-LBPRGKRZSA-N 1 1 266.366 2.841 20 5 CFBDMO COc1ccc(Cn2c[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000130459711 377560517 /nfs/dbraw/zinc/56/05/17/377560517.db2.gz SWVBLJGXNAFMHD-UHFFFAOYSA-N 1 1 287.319 2.727 20 5 CFBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000131084830 377654226 /nfs/dbraw/zinc/65/42/26/377654226.db2.gz CVOUJDQDKDAUOT-NEPJUHHUSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000131084830 377654232 /nfs/dbraw/zinc/65/42/32/377654232.db2.gz CVOUJDQDKDAUOT-NEPJUHHUSA-N 1 1 277.368 2.728 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000135469161 378136751 /nfs/dbraw/zinc/13/67/51/378136751.db2.gz IFTPZSXBUZHARM-CYBMUJFWSA-N 1 1 296.392 2.801 20 5 CFBDMO COCCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241139 378104025 /nfs/dbraw/zinc/10/40/25/378104025.db2.gz IBDPIVUJFFQQSG-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO C[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000153931007 378524476 /nfs/dbraw/zinc/52/44/76/378524476.db2.gz LXNGJPPMWDMXLH-WPRPVWTQSA-N 1 1 296.758 2.680 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153945030 378526113 /nfs/dbraw/zinc/52/61/13/378526113.db2.gz LELIKZPJHGASRG-OAHLLOKOSA-N 1 1 276.336 2.516 20 5 CFBDMO CCOc1ccc([C@H](C)NCC[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000153266424 378482585 /nfs/dbraw/zinc/48/25/85/378482585.db2.gz FKUGOMFEMLRZMW-LBPRGKRZSA-N 1 1 295.383 2.596 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000330550376 378581782 /nfs/dbraw/zinc/58/17/82/378581782.db2.gz DSUMQHPAZGAGOV-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000330550376 378581788 /nfs/dbraw/zinc/58/17/88/378581788.db2.gz DSUMQHPAZGAGOV-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[C@@]1(C)COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330544097 378581886 /nfs/dbraw/zinc/58/18/86/378581886.db2.gz YZNDJVXXWSOIIN-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO CC[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089228 378631380 /nfs/dbraw/zinc/63/13/80/378631380.db2.gz UNRTZRYDVKGHOW-WFASDCNBSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089228 378631406 /nfs/dbraw/zinc/63/14/06/378631406.db2.gz UNRTZRYDVKGHOW-WFASDCNBSA-N 1 1 291.395 2.723 20 5 CFBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330971547 378607333 /nfs/dbraw/zinc/60/73/33/378607333.db2.gz HDXFPYKZFNREMG-LBPRGKRZSA-N 1 1 280.372 2.729 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000331270798 378661279 /nfs/dbraw/zinc/66/12/79/378661279.db2.gz ATQRGEROYZSITG-DETPVDSQSA-N 1 1 292.379 2.885 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331499471 378697312 /nfs/dbraw/zinc/69/73/12/378697312.db2.gz NSAYKZHCVZVETN-SNVBAGLBSA-N 1 1 274.324 2.846 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295223 378665590 /nfs/dbraw/zinc/66/55/90/378665590.db2.gz SGRCUQQRGYXSGU-TYNCELHUSA-N 1 1 278.352 2.576 20 5 CFBDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331319989 378669116 /nfs/dbraw/zinc/66/91/16/378669116.db2.gz BRMXLZJIADMCQZ-NSHDSACASA-N 1 1 280.372 2.729 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000331173769 378644233 /nfs/dbraw/zinc/64/42/33/378644233.db2.gz PACWYCWPCFLMQL-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(C[N@H+]2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000331173769 378644235 /nfs/dbraw/zinc/64/42/35/378644235.db2.gz PACWYCWPCFLMQL-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200911 378649058 /nfs/dbraw/zinc/64/90/58/378649058.db2.gz VIBPWTIPVDDWLS-JSGCOSHPSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332297609 378744366 /nfs/dbraw/zinc/74/43/66/378744366.db2.gz URWJKGTYWIZFGH-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000266186818 190238534 /nfs/dbraw/zinc/23/85/34/190238534.db2.gz ATWFZCXIRZWXRP-UHFFFAOYSA-N 1 1 289.339 2.695 20 5 CFBDMO O=[N+]([O-])c1ccc(Cn2c[nH+]c3c2CCCC3)cc1F ZINC000160705686 378793817 /nfs/dbraw/zinc/79/38/17/378793817.db2.gz PCTAQYQSSRXJGW-UHFFFAOYSA-N 1 1 275.283 2.858 20 5 CFBDMO Cc1c(C[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170766143 379151403 /nfs/dbraw/zinc/15/14/03/379151403.db2.gz YUYLJAGZAJHBEJ-LLVKDONJSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451911134 383736738 /nfs/dbraw/zinc/73/67/38/383736738.db2.gz ZJICGOYTVPELIE-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174956871 379968215 /nfs/dbraw/zinc/96/82/15/379968215.db2.gz VSZIPNVWGFQLRR-LBPRGKRZSA-N 1 1 297.424 2.820 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864226 379953771 /nfs/dbraw/zinc/95/37/71/379953771.db2.gz QMGREWUMNFHEDJ-CYBMUJFWSA-N 1 1 280.372 2.549 20 5 CFBDMO CC1CCC([N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000176212132 380196241 /nfs/dbraw/zinc/19/62/41/380196241.db2.gz NXESXCCQQMQIPK-UHFFFAOYSA-N 1 1 292.383 2.834 20 5 CFBDMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279206588 194332303 /nfs/dbraw/zinc/33/23/03/194332303.db2.gz LUFXLIJDNXSJOC-RYUDHWBXSA-N 1 1 291.351 2.572 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279257530 194355288 /nfs/dbraw/zinc/35/52/88/194355288.db2.gz HSJTVDXBCVYSTE-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CO)C1 ZINC000347343107 381082298 /nfs/dbraw/zinc/08/22/98/381082298.db2.gz QIGLMDCTXZQWQX-ODDCISTRSA-N 1 1 290.363 2.702 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOCC1 ZINC000347363445 381098238 /nfs/dbraw/zinc/09/82/38/381098238.db2.gz QJMLBJIDAKYVHG-RAXLEYEMSA-N 1 1 276.336 2.720 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347375971 381107437 /nfs/dbraw/zinc/10/74/37/381107437.db2.gz SPVDGYWFENMQRB-INDWDQIESA-N 1 1 276.336 2.719 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000290009433 381259287 /nfs/dbraw/zinc/25/92/87/381259287.db2.gz ZNHPUEVZILXIFM-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CCC[N@@H+](CC)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359103977 381268225 /nfs/dbraw/zinc/26/82/25/381268225.db2.gz UWILWLGPUUKLEL-UHFFFAOYSA-N 1 1 280.372 2.750 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296039428 381225571 /nfs/dbraw/zinc/22/55/71/381225571.db2.gz MYZVXHTWMCRCHO-LBPRGKRZSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356199 381292208 /nfs/dbraw/zinc/29/22/08/381292208.db2.gz GDFZVAZMVKBJNJ-ZWNOBZJWSA-N 1 1 291.351 2.692 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290095422 381297034 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COc1cc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290749365 381538096 /nfs/dbraw/zinc/53/80/96/381538096.db2.gz SJAKFFMVOJOYAM-LLVKDONJSA-N 1 1 281.356 2.744 20 5 CFBDMO O=[N+]([O-])c1cccc(CCNc2[nH]c3ccccc3[nH+]2)c1 ZINC000342777882 381532989 /nfs/dbraw/zinc/53/29/89/381532989.db2.gz MWLKIMORJXTBPC-UHFFFAOYSA-N 1 1 282.303 2.548 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cs1 ZINC000355106806 381615044 /nfs/dbraw/zinc/61/50/44/381615044.db2.gz IOEHTXKMESESHT-NWDGAFQWSA-N 1 1 282.365 2.657 20 5 CFBDMO Cc1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000371416386 381621430 /nfs/dbraw/zinc/62/14/30/381621430.db2.gz LVGKWJOTUWVFKR-HNNXBMFYSA-N 1 1 289.379 2.573 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371876135 381715271 /nfs/dbraw/zinc/71/52/71/381715271.db2.gz JQSUAPMVVKOKMI-MRXNPFEDSA-N 1 1 289.379 2.573 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CC1CC1 ZINC000348712412 381682182 /nfs/dbraw/zinc/68/21/82/381682182.db2.gz HYMCOLBIRKNPQS-UKTHLTGXSA-N 1 1 290.363 2.702 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000355232462 381693624 /nfs/dbraw/zinc/69/36/24/381693624.db2.gz CUEFURHLYWYSAU-GJZGRUSLSA-N 1 1 290.363 2.843 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000371768739 381697506 /nfs/dbraw/zinc/69/75/06/381697506.db2.gz BVKCVDKOJVMTCG-RBSFLKMASA-N 1 1 290.363 2.840 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)OC ZINC000291202825 381705819 /nfs/dbraw/zinc/70/58/19/381705819.db2.gz JXZAYKPDEIWAHV-JTQLQIEISA-N 1 1 270.304 2.591 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000360047434 381749577 /nfs/dbraw/zinc/74/95/77/381749577.db2.gz LHCMDKLLJLSVGN-NWDGAFQWSA-N 1 1 295.358 2.961 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000343500304 381754505 /nfs/dbraw/zinc/75/45/05/381754505.db2.gz WAISSRWQADGNDT-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CCc1ccccc1[C@@H](N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000415070729 381755909 /nfs/dbraw/zinc/75/59/09/381755909.db2.gz VJSHRCTTXGZFDE-KRWDZBQOSA-N 1 1 299.374 2.947 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343449844 381718269 /nfs/dbraw/zinc/71/82/69/381718269.db2.gz DNYBPROZJOONKM-GXSJLCMTSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@H]1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343456846 381723598 /nfs/dbraw/zinc/72/35/98/381723598.db2.gz JZRPTNZJJUWTDR-PSASIEDQSA-N 1 1 284.747 2.538 20 5 CFBDMO CC/C=C\CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343558599 381795920 /nfs/dbraw/zinc/79/59/20/381795920.db2.gz WWUDVJLPDDJYFF-ARJAWSKDSA-N 1 1 261.325 2.704 20 5 CFBDMO CC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343518659 381766987 /nfs/dbraw/zinc/76/69/87/381766987.db2.gz MHVSYWNBRUVASX-GWCFXTLKSA-N 1 1 291.351 2.692 20 5 CFBDMO COc1ccncc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292758753 381823703 /nfs/dbraw/zinc/82/37/03/381823703.db2.gz RUFMXFLJFZKYCQ-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000343604104 381834820 /nfs/dbraw/zinc/83/48/20/381834820.db2.gz IJVNZOSYFTWXDY-UHFFFAOYSA-N 1 1 297.358 2.915 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343606267 381836213 /nfs/dbraw/zinc/83/62/13/381836213.db2.gz PBHFFVIOTJTFLT-FZMZJTMJSA-N 1 1 293.367 2.636 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000293160067 382012893 /nfs/dbraw/zinc/01/28/93/382012893.db2.gz VNWYKPPEJABUBZ-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000350767972 382018710 /nfs/dbraw/zinc/01/87/10/382018710.db2.gz RGRQMBGNLHHMHY-UHFFFAOYSA-N 1 1 295.358 2.650 20 5 CFBDMO Nc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000299715901 382034412 /nfs/dbraw/zinc/03/44/12/382034412.db2.gz RIDRDGJLGKFDCV-UHFFFAOYSA-N 1 1 298.346 2.737 20 5 CFBDMO Nc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000299715901 382034423 /nfs/dbraw/zinc/03/44/23/382034423.db2.gz RIDRDGJLGKFDCV-UHFFFAOYSA-N 1 1 298.346 2.737 20 5 CFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C1 ZINC000301186622 382102014 /nfs/dbraw/zinc/10/20/14/382102014.db2.gz PQNVBSBLYDLKPO-LBPRGKRZSA-N 1 1 292.383 2.912 20 5 CFBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000351985010 382105247 /nfs/dbraw/zinc/10/52/47/382105247.db2.gz PUHCCROJYPLRQE-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301087802 382078776 /nfs/dbraw/zinc/07/87/76/382078776.db2.gz KDPSFVQVLBUZBD-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000351971768 382099625 /nfs/dbraw/zinc/09/96/25/382099625.db2.gz WDYHTMZIIDSFEM-UHFFFAOYSA-N 1 1 296.367 2.708 20 5 CFBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971357 382099757 /nfs/dbraw/zinc/09/97/57/382099757.db2.gz RUFHJNFMHQOVSA-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172764 382177973 /nfs/dbraw/zinc/17/79/73/382177973.db2.gz PNZCSBNCCCVCIU-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172764 382177976 /nfs/dbraw/zinc/17/79/76/382177976.db2.gz PNZCSBNCCCVCIU-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000357464762 382182481 /nfs/dbraw/zinc/18/24/81/382182481.db2.gz ARYNOMBKQHWMFL-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000301269277 382130799 /nfs/dbraw/zinc/13/07/99/382130799.db2.gz NCMIHBHKJMBTOI-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122976 382143138 /nfs/dbraw/zinc/14/31/38/382143138.db2.gz FZBZUPMOAFXPJF-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122976 382143145 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C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419331674 382290109 /nfs/dbraw/zinc/29/01/09/382290109.db2.gz JNZUHRJJHFLOLW-UONOGXRCSA-N 1 1 294.399 2.938 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000364327201 382307036 /nfs/dbraw/zinc/30/70/36/382307036.db2.gz IWOYKQTYPNQHRK-GFCCVEGCSA-N 1 1 290.323 2.530 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000352417315 382320599 /nfs/dbraw/zinc/32/05/99/382320599.db2.gz OPTBVFBKUIJRKL-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1nc(NCc2cccc([N+](=O)[O-])c2C)c(C)c(C)[nH+]1 ZINC000357868454 382355622 /nfs/dbraw/zinc/35/56/22/382355622.db2.gz FULGARJKQJLZMU-UHFFFAOYSA-N 1 1 286.335 2.652 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420314336 382362413 /nfs/dbraw/zinc/36/24/13/382362413.db2.gz VOZSHEFNIRAPBG-GVAFMPQTSA-N 1 1 289.379 2.633 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352540224 382386216 /nfs/dbraw/zinc/38/62/16/382386216.db2.gz ILPHIRULAQMJMF-OLZOCXBDSA-N 1 1 278.352 2.933 20 5 CFBDMO COC[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352540225 382386977 /nfs/dbraw/zinc/38/69/77/382386977.db2.gz ILPHIRULAQMJMF-QWHCGFSZSA-N 1 1 278.352 2.933 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000378346175 382441780 /nfs/dbraw/zinc/44/17/80/382441780.db2.gz PNGOQESJCWWBJK-UHFFFAOYSA-N 1 1 278.352 2.904 20 5 CFBDMO CCOc1cccc(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420644978 382442319 /nfs/dbraw/zinc/44/23/19/382442319.db2.gz ZHIWMKQFCUXSIF-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000378162172 382409683 /nfs/dbraw/zinc/40/96/83/382409683.db2.gz RCQGOMUSRQCGCL-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000352617475 382418497 /nfs/dbraw/zinc/41/84/97/382418497.db2.gz DFXOQWCCNOFHCB-DOMZBBRYSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000310785646 382497528 /nfs/dbraw/zinc/49/75/28/382497528.db2.gz AEBUGERSXYYPMP-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000381629015 382523148 /nfs/dbraw/zinc/52/31/48/382523148.db2.gz UXRUDJSQTWMOGP-CQSZACIVSA-N 1 1 282.315 2.592 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ncccc3C2)cc1 ZINC000366377393 382500235 /nfs/dbraw/zinc/50/02/35/382500235.db2.gz MQTOSNIEFZAGMH-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000311130482 382500443 /nfs/dbraw/zinc/50/04/43/382500443.db2.gz ZUVKNLNMLUMGOJ-NSHDSACASA-N 1 1 251.330 2.735 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212135 382508187 /nfs/dbraw/zinc/50/81/87/382508187.db2.gz RRRDOASHQJVTBP-GJZGRUSLSA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000312849402 382517256 /nfs/dbraw/zinc/51/72/56/382517256.db2.gz WSUGEYPNJXFRFT-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000421401546 382519810 /nfs/dbraw/zinc/51/98/10/382519810.db2.gz CPDHGGUMAHHRKI-KKTNHOPESA-N 1 1 289.379 2.634 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000382804081 382535972 /nfs/dbraw/zinc/53/59/72/382535972.db2.gz VUGQARPYIUTFFT-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@H]([N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000382773541 382536218 /nfs/dbraw/zinc/53/62/18/382536218.db2.gz BCIBNFLEPQVYOL-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000382773541 382536220 /nfs/dbraw/zinc/53/62/20/382536220.db2.gz BCIBNFLEPQVYOL-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])s1 ZINC000189680760 382634805 /nfs/dbraw/zinc/63/48/05/382634805.db2.gz DWMVSRHDXBEPLF-SNVBAGLBSA-N 1 1 284.385 2.728 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189617787 382630194 /nfs/dbraw/zinc/63/01/94/382630194.db2.gz WTZQTHVNIDFMPR-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826296 382578339 /nfs/dbraw/zinc/57/83/39/382578339.db2.gz SLXFPCHHWICFCF-YPMHNXCESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190404950 382666364 /nfs/dbraw/zinc/66/63/64/382666364.db2.gz GXJWGOLSEXUZLQ-LLVKDONJSA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190460715 382669326 /nfs/dbraw/zinc/66/93/26/382669326.db2.gz ZKYRPTOZVMSVOS-LBPRGKRZSA-N 1 1 296.392 2.659 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120311 382789277 /nfs/dbraw/zinc/78/92/77/382789277.db2.gz MLODATIOQPKDCH-CABCVRRESA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120311 382789278 /nfs/dbraw/zinc/78/92/78/382789278.db2.gz MLODATIOQPKDCH-CABCVRRESA-N 1 1 289.379 2.620 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577200529 382851351 /nfs/dbraw/zinc/85/13/51/382851351.db2.gz ZOYUIDULLHAWMD-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227146166 382834384 /nfs/dbraw/zinc/83/43/84/382834384.db2.gz UZVKRSCWCNFHHV-MNOVXSKESA-N 1 1 296.758 2.682 20 5 CFBDMO C[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000227528205 382837573 /nfs/dbraw/zinc/83/75/73/382837573.db2.gz RCZGJLVYBCZIPD-SNVBAGLBSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000227528210 382837720 /nfs/dbraw/zinc/83/77/20/382837720.db2.gz RCZGJLVYBCZIPD-JTQLQIEISA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000227651204 382838945 /nfs/dbraw/zinc/83/89/45/382838945.db2.gz GHYFYUMGWCXUOE-QMMMGPOBSA-N 1 1 284.747 2.538 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651098 382839006 /nfs/dbraw/zinc/83/90/06/382839006.db2.gz HVJUAFKVVQOECA-SECBINFHSA-N 1 1 286.763 2.785 20 5 CFBDMO CC[N@@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000227889557 382841889 /nfs/dbraw/zinc/84/18/89/382841889.db2.gz WTGKYXRRGIWFFP-UHFFFAOYSA-N 1 1 285.294 2.769 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441345254 382909047 /nfs/dbraw/zinc/90/90/47/382909047.db2.gz GLQOOTRGLZPIJY-FZMZJTMJSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000577529388 382862723 /nfs/dbraw/zinc/86/27/23/382862723.db2.gz SROMMFGGEHMQNO-KBPBESRZSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000577529388 382862725 /nfs/dbraw/zinc/86/27/25/382862725.db2.gz SROMMFGGEHMQNO-KBPBESRZSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000533394706 382895624 /nfs/dbraw/zinc/89/56/24/382895624.db2.gz RZBKPUOTTAQLIO-UHFFFAOYSA-N 1 1 298.342 2.901 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000441208214 382900640 /nfs/dbraw/zinc/90/06/40/382900640.db2.gz RDKCZIJCWTULBQ-UHFFFAOYSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495249155 382974693 /nfs/dbraw/zinc/97/46/93/382974693.db2.gz QOPPYKZTNDQPHF-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495249155 382974699 /nfs/dbraw/zinc/97/46/99/382974699.db2.gz QOPPYKZTNDQPHF-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000338366347 383007282 /nfs/dbraw/zinc/00/72/82/383007282.db2.gz IOABQLRKRXIBFJ-LBPRGKRZSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000447815100 383011451 /nfs/dbraw/zinc/01/14/51/383011451.db2.gz BWMKLNNSFRGMNH-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246653266 383089627 /nfs/dbraw/zinc/08/96/27/383089627.db2.gz IQTHMAXBRRMRQN-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246653266 383089633 /nfs/dbraw/zinc/08/96/33/383089633.db2.gz IQTHMAXBRRMRQN-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@@H]([NH3+])CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458776 383103131 /nfs/dbraw/zinc/10/31/31/383103131.db2.gz HGPPUPOZHVDLBC-VXGBXAGGSA-N 1 1 297.424 2.792 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424367400 383204865 /nfs/dbraw/zinc/20/48/65/383204865.db2.gz LXCXTWRVVMYJHA-NWANDNLSSA-N 1 1 291.395 2.775 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339590352 383255820 /nfs/dbraw/zinc/25/58/20/383255820.db2.gz PNLVBTIFLCHDOC-QWHCGFSZSA-N 1 1 282.315 2.974 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449394978 383260817 /nfs/dbraw/zinc/26/08/17/383260817.db2.gz OVRKHBXJCCXGJA-WRLNGNIRSA-N 1 1 290.363 2.966 20 5 CFBDMO CC1=CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000339625563 383266839 /nfs/dbraw/zinc/26/68/39/383266839.db2.gz KHVPNYQCXYXFID-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344130 383226191 /nfs/dbraw/zinc/22/61/91/383226191.db2.gz LENCPTMMABEBQJ-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492973 383330507 /nfs/dbraw/zinc/33/05/07/383330507.db2.gz CZAIWTSIOMVFMQ-GXSJLCMTSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492973 383330511 /nfs/dbraw/zinc/33/05/11/383330511.db2.gz CZAIWTSIOMVFMQ-GXSJLCMTSA-N 1 1 270.354 2.513 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000339774391 383313594 /nfs/dbraw/zinc/31/35/94/383313594.db2.gz HFRJKYMDFFPFJC-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000339774391 383313598 /nfs/dbraw/zinc/31/35/98/383313598.db2.gz HFRJKYMDFFPFJC-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252512984 383416403 /nfs/dbraw/zinc/41/64/03/383416403.db2.gz GMLKHWKHJUYTHL-NEPJUHHUSA-N 1 1 291.351 2.642 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000253092355 383442754 /nfs/dbraw/zinc/44/27/54/383442754.db2.gz KVYNTQPJMTZVMY-BZUAXINKSA-N 1 1 290.363 2.720 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252513083 383416891 /nfs/dbraw/zinc/41/68/91/383416891.db2.gz KCKYLUUMBNTAAQ-OLZOCXBDSA-N 1 1 291.351 2.642 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1Cn1c[nH+]c2c1CCCC2 ZINC000450979903 383576976 /nfs/dbraw/zinc/57/69/76/383576976.db2.gz RSNFEEDBQWGTRW-UHFFFAOYSA-N 1 1 275.283 2.858 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570988681 383654025 /nfs/dbraw/zinc/65/40/25/383654025.db2.gz ZWTUVZXVZWNQPZ-LLVKDONJSA-N 1 1 283.759 2.779 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000531104383 383819351 /nfs/dbraw/zinc/81/93/51/383819351.db2.gz APFSWFPLBFXRBN-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000264909489 383799719 /nfs/dbraw/zinc/79/97/19/383799719.db2.gz FANSBHCPVCMEMK-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600341 383955541 /nfs/dbraw/zinc/95/55/41/383955541.db2.gz ZMUPNIRXVNOPRN-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000266007624 384052345 /nfs/dbraw/zinc/05/23/45/384052345.db2.gz KYWCKOSWTDOQRR-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000532957765 384086286 /nfs/dbraw/zinc/08/62/86/384086286.db2.gz YNYJESFJOHSCCS-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266289134 384137216 /nfs/dbraw/zinc/13/72/16/384137216.db2.gz WDFWJOUYWPZEBQ-WDEREUQCSA-N 1 1 281.331 2.653 20 5 CFBDMO CCC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266780792 384237271 /nfs/dbraw/zinc/23/72/71/384237271.db2.gz ZSFDSLARMXIFHL-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO C[NH+](C)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277154737 384216638 /nfs/dbraw/zinc/21/66/38/384216638.db2.gz JVBXAOVDPOMTMD-OAHLLOKOSA-N 1 1 291.395 2.553 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000266682398 384220368 /nfs/dbraw/zinc/22/03/68/384220368.db2.gz AVFZBSXUMQNZTO-OLZOCXBDSA-N 1 1 275.352 2.576 20 5 CFBDMO C[N@H+](CCn1cccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266953611 384269960 /nfs/dbraw/zinc/26/99/60/384269960.db2.gz VIRBBKXKOCCSJI-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCn1cccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266953611 384269967 /nfs/dbraw/zinc/26/99/67/384269967.db2.gz VIRBBKXKOCCSJI-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000277759744 384396686 /nfs/dbraw/zinc/39/66/86/384396686.db2.gz MDKAETVZCJRRQS-CYBMUJFWSA-N 1 1 284.381 2.783 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnccn1 ZINC000347360739 220287176 /nfs/dbraw/zinc/28/71/76/220287176.db2.gz OEBWAGRRPLFYPQ-MDWZMJQESA-N 1 1 298.346 2.920 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnccn1 ZINC000347360739 220287179 /nfs/dbraw/zinc/28/71/79/220287179.db2.gz OEBWAGRRPLFYPQ-MDWZMJQESA-N 1 1 298.346 2.920 20 5 CFBDMO CC(C)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692319 384837432 /nfs/dbraw/zinc/83/74/32/384837432.db2.gz VMBJPYDLRAHVRZ-CABCVRRESA-N 1 1 278.352 2.749 20 5 CFBDMO CCC(C)(C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664869 384826610 /nfs/dbraw/zinc/82/66/10/384826610.db2.gz RLUMMGUEENVUDK-ZDUSSCGKSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683308 384833258 /nfs/dbraw/zinc/83/32/58/384833258.db2.gz YYPDKYJRFPBQTE-SWLSCSKDSA-N 1 1 280.368 2.996 20 5 CFBDMO CC(C)n1nccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279974024 384835019 /nfs/dbraw/zinc/83/50/19/384835019.db2.gz PXPOBLYPXDKUHV-UHFFFAOYSA-N 1 1 274.324 2.662 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633916 384813951 /nfs/dbraw/zinc/81/39/51/384813951.db2.gz GNPMHJUVHXDUTN-SMDDNHRTSA-N 1 1 290.319 2.914 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843024 384879912 /nfs/dbraw/zinc/87/99/12/384879912.db2.gz RUHIHWLOOCOUFB-CMPLNLGQSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000088606097 285142568 /nfs/dbraw/zinc/14/25/68/285142568.db2.gz NRTRMMSKHHQAAI-OAHLLOKOSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000088606097 285142569 /nfs/dbraw/zinc/14/25/69/285142569.db2.gz NRTRMMSKHHQAAI-OAHLLOKOSA-N 1 1 276.336 2.522 20 5 CFBDMO CC1=CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280731861 385131876 /nfs/dbraw/zinc/13/18/76/385131876.db2.gz GYWCOUUVUJHMKR-UHFFFAOYSA-N 1 1 289.335 2.575 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270815641 385234763 /nfs/dbraw/zinc/23/47/63/385234763.db2.gz XLHIUAURVTUTOI-UHFFFAOYSA-N 1 1 279.340 2.655 20 5 CFBDMO Cn1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000271060410 385324103 /nfs/dbraw/zinc/32/41/03/385324103.db2.gz GBTGGYUQSNRRBZ-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO Cn1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000271060410 385324109 /nfs/dbraw/zinc/32/41/09/385324109.db2.gz GBTGGYUQSNRRBZ-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282377329 385296576 /nfs/dbraw/zinc/29/65/76/385296576.db2.gz FRCYRGJHWHEOFA-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282377329 385296580 /nfs/dbraw/zinc/29/65/80/385296580.db2.gz FRCYRGJHWHEOFA-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1cccnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282502060 385328738 /nfs/dbraw/zinc/32/87/38/385328738.db2.gz QYWYUEFZXJRTLT-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000271120313 385340966 /nfs/dbraw/zinc/34/09/66/385340966.db2.gz JJQQAJIBJSZXMM-ZOESHWHXSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000271120313 385340969 /nfs/dbraw/zinc/34/09/69/385340969.db2.gz JJQQAJIBJSZXMM-ZOESHWHXSA-N 1 1 288.347 2.861 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1OCCCn1cc[nH+]c1C ZINC000271197107 385372075 /nfs/dbraw/zinc/37/20/75/385372075.db2.gz HSKHDAKVVOWSRP-UHFFFAOYSA-N 1 1 291.307 2.577 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000272011138 385424670 /nfs/dbraw/zinc/42/46/70/385424670.db2.gz KMMOZDQYHRUAML-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000288984325 197206005 /nfs/dbraw/zinc/20/60/05/197206005.db2.gz ZNMKFMRFUFJALH-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000282975164 385418813 /nfs/dbraw/zinc/41/88/13/385418813.db2.gz DCTLXWLHRSPFNV-PHIMTYICSA-N 1 1 264.300 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(C)(C)O ZINC000272269086 385494313 /nfs/dbraw/zinc/49/43/13/385494313.db2.gz CVPVKGYANFMVDX-NSHDSACASA-N 1 1 266.341 2.667 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000286188625 385568808 /nfs/dbraw/zinc/56/88/08/385568808.db2.gz AHJHWJGYBFUTLM-PBWFPOADSA-N 1 1 289.379 2.965 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866510 385635944 /nfs/dbraw/zinc/63/59/44/385635944.db2.gz YPKMLSJKUSIKNF-GHMZBOCLSA-N 1 1 252.314 2.623 20 5 CFBDMO C[N@@H+](CCNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000276694793 386017813 /nfs/dbraw/zinc/01/78/13/386017813.db2.gz WQFLRAMRWQMTPW-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[NH+](CC)Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000276939696 386085618 /nfs/dbraw/zinc/08/56/18/386085618.db2.gz PKGJDEBOPIHEHR-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281703269 195345240 /nfs/dbraw/zinc/34/52/40/195345240.db2.gz NXYDVMWNEWCJFD-WCQYABFASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422920626 533380098 /nfs/dbraw/zinc/38/00/98/533380098.db2.gz MJEOXGKTCVNMEE-CZUORRHYSA-N 1 1 291.395 2.648 20 5 CFBDMO C[C@@H]([NH2+]CCN)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423174707 533392072 /nfs/dbraw/zinc/39/20/72/533392072.db2.gz CMXUBMASDVRZJF-SNVBAGLBSA-N 1 1 291.376 2.933 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192178371 130388928 /nfs/dbraw/zinc/38/89/28/130388928.db2.gz SSSRIQXYPIAMEE-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892892 131118680 /nfs/dbraw/zinc/11/86/80/131118680.db2.gz FBXHDZXBFRSXIO-DOMZBBRYSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892892 131118681 /nfs/dbraw/zinc/11/86/81/131118681.db2.gz FBXHDZXBFRSXIO-DOMZBBRYSA-N 1 1 277.368 2.730 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000264040823 131385033 /nfs/dbraw/zinc/38/50/33/131385033.db2.gz SBUXYWXFPDSBCR-INIZCTEOSA-N 1 1 286.331 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000268945006 132092428 /nfs/dbraw/zinc/09/24/28/132092428.db2.gz BAPIBAPIDZGOFH-OCCSQVGLSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000268945006 132092430 /nfs/dbraw/zinc/09/24/30/132092430.db2.gz BAPIBAPIDZGOFH-OCCSQVGLSA-N 1 1 296.392 2.783 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000183279456 393518325 /nfs/dbraw/zinc/51/83/25/393518325.db2.gz FPNGNKYXIHUHBY-NWDGAFQWSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000183279456 393518330 /nfs/dbraw/zinc/51/83/30/393518330.db2.gz FPNGNKYXIHUHBY-NWDGAFQWSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCSC1 ZINC000183256713 393518509 /nfs/dbraw/zinc/51/85/09/393518509.db2.gz KLKVSCNFEUEBDG-ZDUSSCGKSA-N 1 1 266.366 2.841 20 5 CFBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563121 393532275 /nfs/dbraw/zinc/53/22/75/393532275.db2.gz RQYRYOFGMVMANF-LLVKDONJSA-N 1 1 283.397 2.620 20 5 CFBDMO Cc1c([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cnn1C ZINC000037563140 393534373 /nfs/dbraw/zinc/53/43/73/393534373.db2.gz RFNPVLHIYBKJOL-MRVPVSSYSA-N 1 1 280.353 2.549 20 5 CFBDMO C[N@@H+](CCc1cncs1)CCc1ccccc1[N+](=O)[O-] ZINC000411720674 393741903 /nfs/dbraw/zinc/74/19/03/393741903.db2.gz NJZIMBQKNNDGGG-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509171 393742541 /nfs/dbraw/zinc/74/25/41/393742541.db2.gz NCMZOFSWZNVENZ-PHIMTYICSA-N 1 1 298.412 2.831 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280023 393692919 /nfs/dbraw/zinc/69/29/19/393692919.db2.gz DDMLESRLVMNDCY-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000248582904 393911646 /nfs/dbraw/zinc/91/16/46/393911646.db2.gz FPNGNKYXIHUHBY-VXGBXAGGSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000248582904 393911653 /nfs/dbraw/zinc/91/16/53/393911653.db2.gz FPNGNKYXIHUHBY-VXGBXAGGSA-N 1 1 264.325 2.512 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@@H]1C ZINC000120070033 393929161 /nfs/dbraw/zinc/92/91/61/393929161.db2.gz IKNBCXPAAXSUJY-STQMWFEESA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598326 393937017 /nfs/dbraw/zinc/93/70/17/393937017.db2.gz YCYBHGDDYQAFBT-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598326 393937018 /nfs/dbraw/zinc/93/70/18/393937018.db2.gz YCYBHGDDYQAFBT-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000252649248 393937745 /nfs/dbraw/zinc/93/77/45/393937745.db2.gz RWWISAYIWSOJIN-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429118810 393939937 /nfs/dbraw/zinc/93/99/37/393939937.db2.gz YNQADDQKBKHZGD-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429118810 393939940 /nfs/dbraw/zinc/93/99/40/393939940.db2.gz YNQADDQKBKHZGD-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749468 393940202 /nfs/dbraw/zinc/94/02/02/393940202.db2.gz FUKLOWOLNCKFPX-CHWSQXEVSA-N 1 1 280.372 2.692 20 5 CFBDMO COCCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000418136794 394019350 /nfs/dbraw/zinc/01/93/50/394019350.db2.gz AWPUFWNKNGRAJX-UHFFFAOYSA-N 1 1 266.341 2.762 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)C1 ZINC000430207111 393967968 /nfs/dbraw/zinc/96/79/68/393967968.db2.gz YTVWGWCJCOXRKG-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccnc1 ZINC000430217235 393969755 /nfs/dbraw/zinc/96/97/55/393969755.db2.gz JIVRZFGYWRPRMO-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CSC ZINC000430224226 393971004 /nfs/dbraw/zinc/97/10/04/393971004.db2.gz YKWRFTPQPLVQLD-CYBMUJFWSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487047431 393980811 /nfs/dbraw/zinc/98/08/11/393980811.db2.gz OJYQIINWNUIVSW-HNNXBMFYSA-N 1 1 277.368 2.680 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000125569666 394009187 /nfs/dbraw/zinc/00/91/87/394009187.db2.gz QQCXWZAVHWYTPJ-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO CCn1cncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417963211 394009153 /nfs/dbraw/zinc/00/91/53/394009153.db2.gz JWACLHAADOMDDU-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO CO[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353227513 394026636 /nfs/dbraw/zinc/02/66/36/394026636.db2.gz HRDNLXFEWVWNOY-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353227513 394026639 /nfs/dbraw/zinc/02/66/39/394026639.db2.gz HRDNLXFEWVWNOY-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CC(C)(O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270956007 394014719 /nfs/dbraw/zinc/01/47/19/394014719.db2.gz YNELAOXUGKHKEG-UHFFFAOYSA-N 1 1 278.352 2.720 20 5 CFBDMO C[N@@H+](CCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000281837665 394081596 /nfs/dbraw/zinc/08/15/96/394081596.db2.gz MSKWDDPFBLQQHE-UHFFFAOYSA-N 1 1 297.354 2.760 20 5 CFBDMO Cc1cc(N(C)CC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000360053247 394144770 /nfs/dbraw/zinc/14/47/70/394144770.db2.gz RMUYZCOGJVBRJI-UHFFFAOYSA-N 1 1 281.331 2.573 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1C ZINC000360209187 394146234 /nfs/dbraw/zinc/14/62/34/394146234.db2.gz OYMJQWIXPDFCQQ-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000420991514 394149581 /nfs/dbraw/zinc/14/95/81/394149581.db2.gz IWMBZLJSVVFMSW-OAHLLOKOSA-N 1 1 290.363 2.517 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@H+]1C ZINC000421003788 394153718 /nfs/dbraw/zinc/15/37/18/394153718.db2.gz NIZMYDYFWXUYHL-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO CC[C@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361165794 394167767 /nfs/dbraw/zinc/16/77/67/394167767.db2.gz KHTKIOFALHMRHU-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361165794 394167772 /nfs/dbraw/zinc/16/77/72/394167772.db2.gz KHTKIOFALHMRHU-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363621420 394198108 /nfs/dbraw/zinc/19/81/08/394198108.db2.gz BTLYGSXBZNWRSG-AWEZNQCLSA-N 1 1 275.352 2.578 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291788320 394259655 /nfs/dbraw/zinc/25/96/55/394259655.db2.gz MPMHTYCLVRHULH-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292679035 394276242 /nfs/dbraw/zinc/27/62/42/394276242.db2.gz RAEIWARYLYTFFW-HNNXBMFYSA-N 1 1 280.368 2.822 20 5 CFBDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292780379 394276813 /nfs/dbraw/zinc/27/68/13/394276813.db2.gz LTGXPEACHAFYHU-INIZCTEOSA-N 1 1 289.379 2.825 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+](C)C(C)C ZINC000155761665 394322776 /nfs/dbraw/zinc/32/27/76/394322776.db2.gz HVVCSUVDDWOXOG-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)C(C)C ZINC000155761665 394322779 /nfs/dbraw/zinc/32/27/79/394322779.db2.gz HVVCSUVDDWOXOG-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104160 394357323 /nfs/dbraw/zinc/35/73/23/394357323.db2.gz PVBRRMPJKXCQHN-JSGCOSHPSA-N 1 1 277.368 2.730 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172669453 394373645 /nfs/dbraw/zinc/37/36/45/394373645.db2.gz HKPKKOLTPVUMAR-GFCCVEGCSA-N 1 1 266.341 2.840 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542485751 394704708 /nfs/dbraw/zinc/70/47/08/394704708.db2.gz IGCXNBZXIPKKLR-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250019211 296504137 /nfs/dbraw/zinc/50/41/37/296504137.db2.gz ZWGLEMANQZBUNB-BZUAXINKSA-N 1 1 289.379 2.605 20 5 CFBDMO Cc1ccc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000356357460 155238385 /nfs/dbraw/zinc/23/83/85/155238385.db2.gz FYEPFMIXNNHPGG-WFASDCNBSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356733472 155343868 /nfs/dbraw/zinc/34/38/68/155343868.db2.gz BIAUOCFCPLJZNZ-CQSZACIVSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1cccc(N(C)CCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000343228169 154149061 /nfs/dbraw/zinc/14/90/61/154149061.db2.gz YFGRFLCUGPIQEB-UHFFFAOYSA-N 1 1 271.320 2.977 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000348286268 154395850 /nfs/dbraw/zinc/39/58/50/154395850.db2.gz YFRBBMGABAJNTB-GFCCVEGCSA-N 1 1 278.352 2.578 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000357776118 155530382 /nfs/dbraw/zinc/53/03/82/155530382.db2.gz SQPZXVCSVAPLCV-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CCCC[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359090434 155982513 /nfs/dbraw/zinc/98/25/13/155982513.db2.gz FRJJLGGSJBSKDS-UHFFFAOYSA-N 1 1 280.372 2.750 20 5 CFBDMO CCC[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363186809 156157575 /nfs/dbraw/zinc/15/75/75/156157575.db2.gz XZNGKYHYERRXQK-UHFFFAOYSA-N 1 1 295.358 2.652 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1F ZINC000366990195 156262615 /nfs/dbraw/zinc/26/26/15/156262615.db2.gz RTKQZVCEABBOKK-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1F ZINC000366990195 156262619 /nfs/dbraw/zinc/26/26/19/156262619.db2.gz RTKQZVCEABBOKK-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367609386 156361442 /nfs/dbraw/zinc/36/14/42/156361442.db2.gz WNDYUFWTALNCPU-CYBMUJFWSA-N 1 1 286.335 2.528 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000371876134 156828824 /nfs/dbraw/zinc/82/88/24/156828824.db2.gz JQSUAPMVVKOKMI-INIZCTEOSA-N 1 1 289.379 2.573 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CC3CCCC3)C2)c1 ZINC000373586211 157010060 /nfs/dbraw/zinc/01/00/60/157010060.db2.gz RAGXCXGJAVLOAK-CYBMUJFWSA-N 1 1 278.356 2.618 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000373776616 157029394 /nfs/dbraw/zinc/02/93/94/157029394.db2.gz IAPXRTRINZXXKF-AWEZNQCLSA-N 1 1 276.336 2.978 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@H](CO)C2)c1 ZINC000374041598 157061529 /nfs/dbraw/zinc/06/15/29/157061529.db2.gz IMWGEPHFLQJVBE-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375801582 157287283 /nfs/dbraw/zinc/28/72/83/157287283.db2.gz LYOURIGMBOJKPL-OWCLPIDISA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375801582 157287285 /nfs/dbraw/zinc/28/72/85/157287285.db2.gz LYOURIGMBOJKPL-OWCLPIDISA-N 1 1 289.379 2.557 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000408172229 157383752 /nfs/dbraw/zinc/38/37/52/157383752.db2.gz UEWBEUYDNAOXNJ-CHWSQXEVSA-N 1 1 292.383 2.526 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000343960628 161902084 /nfs/dbraw/zinc/90/20/84/161902084.db2.gz MIAKSGJLTKSKLZ-AWEZNQCLSA-N 1 1 263.341 2.881 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353446847 163367728 /nfs/dbraw/zinc/36/77/28/163367728.db2.gz JPMDCPDMAHBKKK-AAEUAGOBSA-N 1 1 293.367 2.636 20 5 CFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025509851 171459383 /nfs/dbraw/zinc/45/93/83/171459383.db2.gz GMDIQJGFIHVRNI-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO C[N@@H+](CCCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285425796 196281769 /nfs/dbraw/zinc/28/17/69/196281769.db2.gz WCCHCHJQGLSDPJ-UHFFFAOYSA-N 1 1 254.305 2.819 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285497308 196304917 /nfs/dbraw/zinc/30/49/17/196304917.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 1 1 289.379 2.652 20 5 CFBDMO CC(C)C[C@@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000037166544 173000389 /nfs/dbraw/zinc/00/03/89/173000389.db2.gz FCUUFJSETOINBL-AWEZNQCLSA-N 1 1 279.384 2.661 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000037403759 173179969 /nfs/dbraw/zinc/17/99/69/173179969.db2.gz RVKYTKYARDTANX-GFCCVEGCSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000037403759 173179971 /nfs/dbraw/zinc/17/99/71/173179971.db2.gz RVKYTKYARDTANX-GFCCVEGCSA-N 1 1 298.770 2.985 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037538962 173258538 /nfs/dbraw/zinc/25/85/38/173258538.db2.gz YYCRRVLIVUOVKR-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790459 196399753 /nfs/dbraw/zinc/39/97/53/196399753.db2.gz TWBGYTOAVBDTIP-RYUDHWBXSA-N 1 1 266.341 2.931 20 5 CFBDMO CC[C@H](NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087921 174100671 /nfs/dbraw/zinc/10/06/71/174100671.db2.gz SHAINOOWTVVCPJ-FZMZJTMJSA-N 1 1 265.357 2.586 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038088198 174100896 /nfs/dbraw/zinc/10/08/96/174100896.db2.gz CSPJRTPPDMGKDS-RYUDHWBXSA-N 1 1 265.357 2.504 20 5 CFBDMO Cc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623004 174356081 /nfs/dbraw/zinc/35/60/81/174356081.db2.gz QPNVPCVLIIJGLY-HNNXBMFYSA-N 1 1 291.395 2.723 20 5 CFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000077320816 177253025 /nfs/dbraw/zinc/25/30/25/177253025.db2.gz CPSMEELFRGEQQH-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000077320816 177253027 /nfs/dbraw/zinc/25/30/27/177253027.db2.gz CPSMEELFRGEQQH-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000518393699 260397383 /nfs/dbraw/zinc/39/73/83/260397383.db2.gz INKDDKXZRYPKMT-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1cnccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000296816743 263196883 /nfs/dbraw/zinc/19/68/83/263196883.db2.gz NFGSENBBHQIOPT-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000514644529 266025500 /nfs/dbraw/zinc/02/55/00/266025500.db2.gz OGOQOMSAJFVIEY-OLZOCXBDSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1ncccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000488230769 274170627 /nfs/dbraw/zinc/17/06/27/274170627.db2.gz LTEQHXVIOVHAJG-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1ncccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000488230769 274170629 /nfs/dbraw/zinc/17/06/29/274170629.db2.gz LTEQHXVIOVHAJG-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266774791 274260568 /nfs/dbraw/zinc/26/05/68/274260568.db2.gz KVVFDYAYQGUXFU-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000227888932 275033759 /nfs/dbraw/zinc/03/37/59/275033759.db2.gz OUUPNBBYGSBBMQ-MRVPVSSYSA-N 1 1 283.278 2.522 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000227888932 275033760 /nfs/dbraw/zinc/03/37/60/275033760.db2.gz OUUPNBBYGSBBMQ-MRVPVSSYSA-N 1 1 283.278 2.522 20 5 CFBDMO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037126561 276092455 /nfs/dbraw/zinc/09/24/55/276092455.db2.gz ZPISZMYENUEDDU-RYUDHWBXSA-N 1 1 293.367 2.502 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346184189 276250253 /nfs/dbraw/zinc/25/02/53/276250253.db2.gz KYYJBHSSPVYLSN-STQMWFEESA-N 1 1 277.368 2.509 20 5 CFBDMO CCOC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338792764 276277018 /nfs/dbraw/zinc/27/70/18/276277018.db2.gz XGJFVOAJJBHLRH-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000227344676 277084687 /nfs/dbraw/zinc/08/46/87/277084687.db2.gz FONZXADCSPTZQT-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000271646055 277156337 /nfs/dbraw/zinc/15/63/37/277156337.db2.gz QWSKMRMIAHIMMZ-SWLSCSKDSA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000118415141 279108735 /nfs/dbraw/zinc/10/87/35/279108735.db2.gz QNUWNWKYEXHBIO-MNOVXSKESA-N 1 1 266.366 2.921 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cs1 ZINC000459725499 280357217 /nfs/dbraw/zinc/35/72/17/280357217.db2.gz QAACJRAKHAZUFF-NWDGAFQWSA-N 1 1 294.376 2.657 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cs1 ZINC000459725499 280357219 /nfs/dbraw/zinc/35/72/19/280357219.db2.gz QAACJRAKHAZUFF-NWDGAFQWSA-N 1 1 294.376 2.657 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909980 281022680 /nfs/dbraw/zinc/02/26/80/281022680.db2.gz MMYXBSQYHJRELQ-BLLLJJGKSA-N 1 1 290.363 2.811 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1 ZINC000358024591 281181386 /nfs/dbraw/zinc/18/13/86/281181386.db2.gz RFPVXAQZMVACAD-AWEZNQCLSA-N 1 1 288.278 2.957 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)C[C@H]1C ZINC000526989509 281322401 /nfs/dbraw/zinc/32/24/01/281322401.db2.gz MJDKUNWMZSNEQS-GHMZBOCLSA-N 1 1 264.325 2.976 20 5 CFBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000541983835 281617575 /nfs/dbraw/zinc/61/75/75/281617575.db2.gz STNNTPCGAITNJB-HNNXBMFYSA-N 1 1 286.331 2.726 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000192752586 324064140 /nfs/dbraw/zinc/06/41/40/324064140.db2.gz TVPVEBHOQLALAF-UHFFFAOYSA-N 1 1 261.281 2.569 20 5 CFBDMO CC/C=C\CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341308773 324123460 /nfs/dbraw/zinc/12/34/60/324123460.db2.gz AUPPXLHZAYGZBI-SCOBNMCVSA-N 1 1 290.367 2.832 20 5 CFBDMO CCn1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000577362172 324727253 /nfs/dbraw/zinc/72/72/53/324727253.db2.gz IPLRTMJBIIBPDA-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(OCCCn2cc[nH+]c2C)c1 ZINC000582545892 325213456 /nfs/dbraw/zinc/21/34/56/325213456.db2.gz MUMBJBIHKWZART-UHFFFAOYSA-N 1 1 291.307 2.577 20 5 CFBDMO CCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000583315834 325277362 /nfs/dbraw/zinc/27/73/62/325277362.db2.gz DKCBAZIFQZTXOD-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000583315834 325277359 /nfs/dbraw/zinc/27/73/59/325277359.db2.gz DKCBAZIFQZTXOD-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CC1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076013331 520378089 /nfs/dbraw/zinc/37/80/89/520378089.db2.gz WFCOGCSKPWQLTO-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598017 518184579 /nfs/dbraw/zinc/18/45/79/518184579.db2.gz MTGSIUXXVSQRMI-SDBXPKJASA-N 1 1 297.305 2.768 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443232 521639901 /nfs/dbraw/zinc/63/99/01/521639901.db2.gz QLOYMEHLWVEFLL-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443232 521639906 /nfs/dbraw/zinc/63/99/06/521639906.db2.gz QLOYMEHLWVEFLL-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439899 521713914 /nfs/dbraw/zinc/71/39/14/521713914.db2.gz TXXQCUNHTCPDPG-DZGCQCFKSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274629 522627133 /nfs/dbraw/zinc/62/71/33/522627133.db2.gz DGDOPIIGZJVSSU-JKSUJKDBSA-N 1 1 291.395 2.976 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000058938190 522871259 /nfs/dbraw/zinc/87/12/59/522871259.db2.gz VIGCVBHBBDMXSC-UHFFFAOYSA-N 1 1 269.732 2.754 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363672786 523973187 /nfs/dbraw/zinc/97/31/87/523973187.db2.gz OGGQNSRZPUVTGW-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1cnc(NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000361262505 526091254 /nfs/dbraw/zinc/09/12/54/526091254.db2.gz NJCSSGZLMFDBCH-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171911660 526244939 /nfs/dbraw/zinc/24/49/39/526244939.db2.gz CADAJNXRKPOXOJ-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CCO ZINC000050445203 527332135 /nfs/dbraw/zinc/33/21/35/527332135.db2.gz UXQFBOIDFXQESM-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000050445203 527332138 /nfs/dbraw/zinc/33/21/38/527332138.db2.gz UXQFBOIDFXQESM-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156318672 527349152 /nfs/dbraw/zinc/34/91/52/527349152.db2.gz XSKNHZKVXPERNN-MRXNPFEDSA-N 1 1 299.330 2.643 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000367551486 527386983 /nfs/dbraw/zinc/38/69/83/527386983.db2.gz KCDLMTRGJRTFEA-AWEZNQCLSA-N 1 1 286.335 2.528 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770318 527980281 /nfs/dbraw/zinc/98/02/81/527980281.db2.gz UHMAEOMCLVIORX-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCN(CC)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770318 527980282 /nfs/dbraw/zinc/98/02/82/527980282.db2.gz UHMAEOMCLVIORX-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449779355 536528834 /nfs/dbraw/zinc/52/88/34/536528834.db2.gz TVMQIAQPLLWWAQ-ZDUSSCGKSA-N 1 1 278.352 2.843 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781006 536529056 /nfs/dbraw/zinc/52/90/56/536529056.db2.gz WNGCDDIRTKHDAJ-AWEZNQCLSA-N 1 1 278.352 2.843 20 5 CFBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000413008964 529005164 /nfs/dbraw/zinc/00/51/64/529005164.db2.gz ZRCRQUWHTKHNPH-ZDUSSCGKSA-N 1 1 292.383 2.932 20 5 CFBDMO CCn1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000414213598 529172701 /nfs/dbraw/zinc/17/27/01/529172701.db2.gz UQWWGJDYUJXLAL-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000263795922 536307810 /nfs/dbraw/zinc/30/78/10/536307810.db2.gz OXHKYTPJHRYYKI-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443065924 536750430 /nfs/dbraw/zinc/75/04/30/536750430.db2.gz GWPPWVJVOLKEQS-JSGCOSHPSA-N 1 1 278.352 2.903 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000747576355 574201820 /nfs/dbraw/zinc/20/18/20/574201820.db2.gz RWGRMKDSJRASGT-ZDUSSCGKSA-N 1 1 292.335 2.626 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000747744661 574209756 /nfs/dbraw/zinc/20/97/56/574209756.db2.gz PPJOQCNYINSIIR-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861699 574271151 /nfs/dbraw/zinc/27/11/51/574271151.db2.gz XYUYGKCMWSJSHN-GHMZBOCLSA-N 1 1 274.324 2.632 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000756902998 574272061 /nfs/dbraw/zinc/27/20/61/574272061.db2.gz GVGNDJQMAZOUEW-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056163 574322610 /nfs/dbraw/zinc/32/26/10/574322610.db2.gz YBEKQHVELCOXRO-TZMCWYRMSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074345 574323254 /nfs/dbraw/zinc/32/32/54/574323254.db2.gz WGZWGWXGBQIRSO-KYOSRNDESA-N 1 1 278.352 2.749 20 5 CFBDMO NC(CC1CC1)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000742364903 574323950 /nfs/dbraw/zinc/32/39/50/574323950.db2.gz LYOKKTPSRXRSHI-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095490 574324159 /nfs/dbraw/zinc/32/41/59/574324159.db2.gz ZCJXVTIHTBZHDM-HIFRSBDPSA-N 1 1 278.352 2.606 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000891536385 617653653 /nfs/dbraw/zinc/65/36/53/617653653.db2.gz IMTLKYNGYGFCTR-UHFFFAOYSA-N 1 1 280.324 2.683 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000120501046 617713192 /nfs/dbraw/zinc/71/31/92/617713192.db2.gz VWHPMJWUTMJKHI-UHFFFAOYSA-N 1 1 276.267 2.729 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000892146536 617971988 /nfs/dbraw/zinc/97/19/88/617971988.db2.gz WDIMHXPSLFVYNO-NSHDSACASA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000090794977 618195160 /nfs/dbraw/zinc/19/51/60/618195160.db2.gz NROUNMRJLWEAQR-VHSXEESVSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367959 618210768 /nfs/dbraw/zinc/21/07/68/618210768.db2.gz CGKKDSDOURIYTQ-MRXNPFEDSA-N 1 1 299.330 2.777 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933377571 618215052 /nfs/dbraw/zinc/21/50/52/618215052.db2.gz KWWIKLBVDNKLOX-AWEZNQCLSA-N 1 1 294.326 2.925 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000895191008 618455534 /nfs/dbraw/zinc/45/55/34/618455534.db2.gz CUEBZOZLGNGOSS-QWHCGFSZSA-N 1 1 275.352 2.576 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091735 618489217 /nfs/dbraw/zinc/48/92/17/618489217.db2.gz AGWHBKDIJQDKNH-LSDHHAIUSA-N 1 1 278.352 2.750 20 5 CFBDMO COC[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178030492 618620075 /nfs/dbraw/zinc/62/00/75/618620075.db2.gz KOVGPISXKAUBKY-SNVBAGLBSA-N 1 1 286.759 2.963 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000311374188 618709184 /nfs/dbraw/zinc/70/91/84/618709184.db2.gz VJVFYBREOKFJTD-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000925690043 618933749 /nfs/dbraw/zinc/93/37/49/618933749.db2.gz CZXUHHWTPGHQEI-QWRGUYRKSA-N 1 1 272.308 2.797 20 5 CFBDMO C[N@@H+](CC[N+](=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000791055463 619275417 /nfs/dbraw/zinc/27/54/17/619275417.db2.gz UMUZSESCFBVCGA-UHFFFAOYSA-N 1 1 268.316 2.965 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895736316 619597180 /nfs/dbraw/zinc/59/71/80/619597180.db2.gz KUKUCAIMEBWSTN-JQWIXIFHSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895736315 619597319 /nfs/dbraw/zinc/59/73/19/619597319.db2.gz KUKUCAIMEBWSTN-CMPLNLGQSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464886 620176981 /nfs/dbraw/zinc/17/69/81/620176981.db2.gz PXOKVIBPWQEIGA-MGPQQGTHSA-N 1 1 291.395 2.771 20 5 CFBDMO CC(C)[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000054112455 620218680 /nfs/dbraw/zinc/21/86/80/620218680.db2.gz XPGNQBVQYWTTMM-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000923892064 620445440 /nfs/dbraw/zinc/44/54/40/620445440.db2.gz MDMJIJCCFDNZNR-NSHDSACASA-N 1 1 298.364 2.572 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000923892064 620445441 /nfs/dbraw/zinc/44/54/41/620445441.db2.gz MDMJIJCCFDNZNR-NSHDSACASA-N 1 1 298.364 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]2C2CCCC2)cc1 ZINC000899912296 620612610 /nfs/dbraw/zinc/61/26/10/620612610.db2.gz HONWMVSCPNIABN-JKSUJKDBSA-N 1 1 290.363 2.893 20 5 CFBDMO Cc1cccc(OCCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000902309490 621028774 /nfs/dbraw/zinc/02/87/74/621028774.db2.gz OKSUTPOCGSOYLA-UHFFFAOYSA-N 1 1 275.308 2.648 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000902432729 621078211 /nfs/dbraw/zinc/07/82/11/621078211.db2.gz XAMDMSRMMSPFIP-UMVBOHGHSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411996 621593511 /nfs/dbraw/zinc/59/35/11/621593511.db2.gz YUXCITHDBUVPSA-JQWIXIFHSA-N 1 1 297.786 2.665 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832778064 625512965 /nfs/dbraw/zinc/51/29/65/625512965.db2.gz GWKYORHWIXKUKS-ZDUSSCGKSA-N 1 1 295.358 2.648 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000906508463 621995161 /nfs/dbraw/zinc/99/51/61/621995161.db2.gz YXKUSRIIQAYZNM-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823179241 623254112 /nfs/dbraw/zinc/25/41/12/623254112.db2.gz JMEZNPBDZQRQRN-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO CCCC[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351029 623265577 /nfs/dbraw/zinc/26/55/77/623265577.db2.gz MINPHNNXSUWXNP-CQSZACIVSA-N 1 1 266.341 2.750 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCCC[N@H+]1C ZINC000915667925 624093595 /nfs/dbraw/zinc/09/35/95/624093595.db2.gz YHXPWOFVIJRHOH-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000090721327 624142440 /nfs/dbraw/zinc/14/24/40/624142440.db2.gz DFICFZBCWKSVLA-PWSUYJOCSA-N 1 1 297.786 2.821 20 5 CFBDMO Cc1c(CN2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070149477 625273753 /nfs/dbraw/zinc/27/37/53/625273753.db2.gz JBXDERMQLQNNBT-AWEZNQCLSA-N 1 1 277.368 2.607 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1[N+](=O)[O-] ZINC000921968589 626187394 /nfs/dbraw/zinc/18/73/94/626187394.db2.gz YUZYXVRKHQPZPR-LLVKDONJSA-N 1 1 292.314 2.612 20 5 CFBDMO C[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1[N+](=O)[O-] ZINC000851714896 634484483 /nfs/dbraw/zinc/48/44/83/634484483.db2.gz JMVZISDOKGJDDB-ZDUSSCGKSA-N 1 1 294.351 2.568 20 5 CFBDMO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923499204 626477489 /nfs/dbraw/zinc/47/74/89/626477489.db2.gz RHHBADVGRISYGJ-WDEREUQCSA-N 1 1 297.786 2.665 20 5 CFBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC([NH3+])CC1 ZINC000843055538 626549534 /nfs/dbraw/zinc/54/95/34/626549534.db2.gz GLMGKOHGSYCXGV-UHFFFAOYSA-N 1 1 297.786 2.950 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658363 626549826 /nfs/dbraw/zinc/54/98/26/626549826.db2.gz LXVGVHNZXCRIEU-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[C@@H]43)co2)cc1 ZINC000761100237 626804375 /nfs/dbraw/zinc/80/43/75/626804375.db2.gz YLXQLAIIYAWWNR-RISCZKNCSA-N 1 1 285.303 2.844 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@@H]43)co2)cc1 ZINC000761100237 626804377 /nfs/dbraw/zinc/80/43/77/626804377.db2.gz YLXQLAIIYAWWNR-RISCZKNCSA-N 1 1 285.303 2.844 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293128 626821592 /nfs/dbraw/zinc/82/15/92/626821592.db2.gz RMBUOQKQFSBICA-GHMZBOCLSA-N 1 1 288.351 2.941 20 5 CFBDMO CCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761515787 626841558 /nfs/dbraw/zinc/84/15/58/626841558.db2.gz LSUOVHJOPYJIBB-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049303 627115742 /nfs/dbraw/zinc/11/57/42/627115742.db2.gz OGOKYELCZCNMBU-PHIMTYICSA-N 1 1 288.351 2.798 20 5 CFBDMO COc1cc(CO[NH+]=C(N)CC2CC2)c([N+](=O)[O-])cc1F ZINC000766064047 627175365 /nfs/dbraw/zinc/17/53/65/627175365.db2.gz JYAVGCWFHXCYCC-UHFFFAOYSA-N 1 1 297.286 2.541 20 5 CFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000767458353 627253355 /nfs/dbraw/zinc/25/33/55/627253355.db2.gz BFQIEBAKGORUNL-SNVBAGLBSA-N 1 1 292.364 2.774 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000771459444 627606080 /nfs/dbraw/zinc/60/60/80/627606080.db2.gz KHMRGLCBTWKWDW-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625804 627942618 /nfs/dbraw/zinc/94/26/18/627942618.db2.gz GEDMVPUTILAXEQ-UHFFFAOYSA-N 1 1 282.731 2.897 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774853039 627971904 /nfs/dbraw/zinc/97/19/04/627971904.db2.gz MLUBDXNCGYGJGN-NSHDSACASA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732790 628060275 /nfs/dbraw/zinc/06/02/75/628060275.db2.gz VTLSONXUTJYOLP-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581815 628160343 /nfs/dbraw/zinc/16/03/43/628160343.db2.gz MOPHGTJVOICXOX-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000776581900 628160549 /nfs/dbraw/zinc/16/05/49/628160549.db2.gz OMYRTFKQOSOZPC-HUUCEWRRSA-N 1 1 276.336 2.503 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000776580064 628160712 /nfs/dbraw/zinc/16/07/12/628160712.db2.gz QVVWXPIQSXCAKG-DOMZBBRYSA-N 1 1 280.368 2.995 20 5 CFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599232 628163809 /nfs/dbraw/zinc/16/38/09/628163809.db2.gz XODGVYFLMKFKGC-UXIGCNINSA-N 1 1 278.352 2.891 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776598569 628164118 /nfs/dbraw/zinc/16/41/18/628164118.db2.gz RNJVUYKIGQOCLL-LALPHHSUSA-N 1 1 278.352 2.606 20 5 CFBDMO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778399192 628304515 /nfs/dbraw/zinc/30/45/15/628304515.db2.gz WJOCWAHRPIPBJL-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778399192 628304517 /nfs/dbraw/zinc/30/45/17/628304517.db2.gz WJOCWAHRPIPBJL-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)(C(=O)OCc1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000805615007 628332817 /nfs/dbraw/zinc/33/28/17/628332817.db2.gz PCIIZHBRZQEBEH-UHFFFAOYSA-N 1 1 298.364 2.574 20 5 CFBDMO CC[N@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858875 628414809 /nfs/dbraw/zinc/41/48/09/628414809.db2.gz GJXHLZRIPVQDLZ-UHFFFAOYSA-N 1 1 294.380 2.683 20 5 CFBDMO CC[N@@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858875 628414811 /nfs/dbraw/zinc/41/48/11/628414811.db2.gz GJXHLZRIPVQDLZ-UHFFFAOYSA-N 1 1 294.380 2.683 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000779860358 628414977 /nfs/dbraw/zinc/41/49/77/628414977.db2.gz XOWXUYUKIJOINO-YUTCNCBUSA-N 1 1 292.383 2.958 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000779860355 628415030 /nfs/dbraw/zinc/41/50/30/628415030.db2.gz XOWXUYUKIJOINO-FPMFFAJLSA-N 1 1 292.383 2.958 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867777 628415276 /nfs/dbraw/zinc/41/52/76/628415276.db2.gz DCSAERXVBVBETO-NSHDSACASA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867777 628415278 /nfs/dbraw/zinc/41/52/78/628415278.db2.gz DCSAERXVBVBETO-NSHDSACASA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584255 628562139 /nfs/dbraw/zinc/56/21/39/628562139.db2.gz PFATYVNSKWUBNY-BXUZGUMPSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584255 628562142 /nfs/dbraw/zinc/56/21/42/628562142.db2.gz PFATYVNSKWUBNY-BXUZGUMPSA-N 1 1 278.356 2.569 20 5 CFBDMO CC(C)CCC(N)=[NH+]OCCOc1ccc([N+](=O)[O-])cc1 ZINC000782319956 628628229 /nfs/dbraw/zinc/62/82/29/628628229.db2.gz BAJACMPAEMEWTF-UHFFFAOYSA-N 1 1 295.339 2.908 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000852158795 634675331 /nfs/dbraw/zinc/67/53/31/634675331.db2.gz KAUGKNTUQOLEFJ-UHFFFAOYSA-N 1 1 294.326 2.613 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659053 628731647 /nfs/dbraw/zinc/73/16/47/628731647.db2.gz FYLYMOQUIXPDID-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656450 628731658 /nfs/dbraw/zinc/73/16/58/628731658.db2.gz UMKLWVZZHOEOCM-LLVKDONJSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@@H]1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656450 628731663 /nfs/dbraw/zinc/73/16/63/628731663.db2.gz UMKLWVZZHOEOCM-LLVKDONJSA-N 1 1 297.786 2.822 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678933 628733934 /nfs/dbraw/zinc/73/39/34/628733934.db2.gz BLHJWSOBUJBUNC-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000783680285 628733959 /nfs/dbraw/zinc/73/39/59/628733959.db2.gz WAIYTQDHKBHYOG-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1O ZINC000783731251 628739192 /nfs/dbraw/zinc/73/91/92/628739192.db2.gz YYWMBTMBCRYBOA-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1O ZINC000783731251 628739195 /nfs/dbraw/zinc/73/91/95/628739195.db2.gz YYWMBTMBCRYBOA-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513654 628822889 /nfs/dbraw/zinc/82/28/89/628822889.db2.gz DRNKUFHCVCROFT-UKRRQHHQSA-N 1 1 292.379 2.996 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589646 629084088 /nfs/dbraw/zinc/08/40/88/629084088.db2.gz SHGNCNSIUGSLAL-VXGBXAGGSA-N 1 1 294.399 2.558 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450737 629157740 /nfs/dbraw/zinc/15/77/40/629157740.db2.gz PMEYRXDBMDBIAQ-IATRGZMQSA-N 1 1 292.379 2.995 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000791052457 629284318 /nfs/dbraw/zinc/28/43/18/629284318.db2.gz OFJWCKJQQZQVBS-STQMWFEESA-N 1 1 298.408 2.693 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249142 629513416 /nfs/dbraw/zinc/51/34/16/629513416.db2.gz DPFYZCHCPMKMOG-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000793820997 629597877 /nfs/dbraw/zinc/59/78/77/629597877.db2.gz NVPZZENYCGYWJD-CQSZACIVSA-N 1 1 286.335 2.900 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000794685956 629674801 /nfs/dbraw/zinc/67/48/01/629674801.db2.gz OKEKKICZYNQOQN-LLVKDONJSA-N 1 1 266.345 2.568 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1F ZINC000801542091 630455843 /nfs/dbraw/zinc/45/58/43/630455843.db2.gz OLHBSUBBGCYHHF-GFCCVEGCSA-N 1 1 296.323 2.619 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000804624269 630767283 /nfs/dbraw/zinc/76/72/83/630767283.db2.gz LGSIQQPMVZABJR-SNVBAGLBSA-N 1 1 292.726 2.872 20 5 CFBDMO C[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966383 631306640 /nfs/dbraw/zinc/30/66/40/631306640.db2.gz ZQPMPJSXBBZQGB-SSDOTTSWSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966383 631306643 /nfs/dbraw/zinc/30/66/43/631306643.db2.gz ZQPMPJSXBBZQGB-SSDOTTSWSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589248 632293106 /nfs/dbraw/zinc/29/31/06/632293106.db2.gz MUMUSIMCCOVGMM-SECBINFHSA-N 1 1 290.298 2.562 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660797 632507707 /nfs/dbraw/zinc/50/77/07/632507707.db2.gz PSFNENNIJAXGRP-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC000816666975 632508168 /nfs/dbraw/zinc/50/81/68/632508168.db2.gz YWSYUQRGXQTSEW-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480675 633264915 /nfs/dbraw/zinc/26/49/15/633264915.db2.gz QGHCJAFVLSBROA-GFCCVEGCSA-N 1 1 286.335 2.900 20 5 CFBDMO C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530851 633279013 /nfs/dbraw/zinc/27/90/13/633279013.db2.gz HLZSZWGITYFWFW-IUODEOHRSA-N 1 1 289.379 2.656 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530851 633279014 /nfs/dbraw/zinc/27/90/14/633279014.db2.gz HLZSZWGITYFWFW-IUODEOHRSA-N 1 1 289.379 2.656 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848786260 633343398 /nfs/dbraw/zinc/34/33/98/633343398.db2.gz PXERXYGCOAVPAG-GXTWGEPZSA-N 1 1 290.367 2.606 20 5 CFBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000848929076 633412293 /nfs/dbraw/zinc/41/22/93/633412293.db2.gz SJURLTLGRBWAHN-SECBINFHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512569 636018034 /nfs/dbraw/zinc/01/80/34/636018034.db2.gz NCYJDEQTLAAUDP-OCCSQVGLSA-N 1 1 286.335 2.627 20 5 CFBDMO Nc1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000858781998 636345613 /nfs/dbraw/zinc/34/56/13/636345613.db2.gz XIGDDBYELTVYEZ-ZDUSSCGKSA-N 1 1 290.367 2.606 20 5 CFBDMO COCCC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000859398517 636557471 /nfs/dbraw/zinc/55/74/71/636557471.db2.gz JCTBOCLNUHEIOY-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862386974 637350106 /nfs/dbraw/zinc/35/01/06/637350106.db2.gz FPUZRHNKMYEWRI-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000865565516 638428339 /nfs/dbraw/zinc/42/83/39/638428339.db2.gz ZBFJQNZEMFVKLL-SECBINFHSA-N 1 1 255.343 2.553 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052578 638819240 /nfs/dbraw/zinc/81/92/40/638819240.db2.gz QJVKRFVPRLTLQU-LLVKDONJSA-N 1 1 288.351 2.942 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000866540220 638838924 /nfs/dbraw/zinc/83/89/24/638838924.db2.gz LFMHEODQMPUDLI-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO C[C@H](NCC1=CC[N@@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054605 641589676 /nfs/dbraw/zinc/58/96/76/641589676.db2.gz ZPTCJFLKDSZHPI-NSHDSACASA-N 1 1 293.342 2.646 20 5 CFBDMO COCC1([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872057074 641590874 /nfs/dbraw/zinc/59/08/74/641590874.db2.gz CFABHWWMZPKNLH-SECBINFHSA-N 1 1 268.288 2.564 20 5 CFBDMO CC(C)OCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062796 641594142 /nfs/dbraw/zinc/59/41/42/641594142.db2.gz QDVQOFLXENUCSB-SNVBAGLBSA-N 1 1 270.304 2.810 20 5 CFBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872254997 641718587 /nfs/dbraw/zinc/71/85/87/641718587.db2.gz NVBLKHIUAWBCHN-ZNMIVQPWSA-N 1 1 290.363 2.576 20 5 CFBDMO CC(=O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000872666897 641889016 /nfs/dbraw/zinc/88/90/16/641889016.db2.gz HRPPAVJZWOIEPN-UHFFFAOYSA-N 1 1 299.330 2.948 20 5 CFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781032 641934401 /nfs/dbraw/zinc/93/44/01/641934401.db2.gz PCZGTEPTKVKIGD-KGLIPLIRSA-N 1 1 295.770 2.921 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780131 641934698 /nfs/dbraw/zinc/93/46/98/641934698.db2.gz JUJYXYSUQBJPKQ-QWHCGFSZSA-N 1 1 297.305 2.546 20 5 CFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780130 641935156 /nfs/dbraw/zinc/93/51/56/641935156.db2.gz JUJYXYSUQBJPKQ-OLZOCXBDSA-N 1 1 297.305 2.546 20 5 CFBDMO Cc1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781390 641936324 /nfs/dbraw/zinc/93/63/24/641936324.db2.gz SMXKJZCNSLVVME-STQMWFEESA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C1CC1)[NH+](C)C ZINC000873017033 641985095 /nfs/dbraw/zinc/98/50/95/641985095.db2.gz VNNGKAKNHGKUNT-INIZCTEOSA-N 1 1 291.395 2.641 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+](C)C(C)C ZINC000873035126 641990809 /nfs/dbraw/zinc/99/08/09/641990809.db2.gz GPJCKIJNPMSDAV-UHFFFAOYSA-N 1 1 279.384 2.641 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN(C)C(C)C ZINC000873035126 641990812 /nfs/dbraw/zinc/99/08/12/641990812.db2.gz GPJCKIJNPMSDAV-UHFFFAOYSA-N 1 1 279.384 2.641 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000876566153 642926522 /nfs/dbraw/zinc/92/65/22/642926522.db2.gz AEZKYBGTWDTUER-CYBMUJFWSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCCO)C1CC1 ZINC000876731144 642986260 /nfs/dbraw/zinc/98/62/60/642986260.db2.gz FKYVAMVQYJQEJJ-UHFFFAOYSA-N 1 1 278.352 2.558 20 5 CFBDMO CO[C@](C)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000876740884 642989837 /nfs/dbraw/zinc/98/98/37/642989837.db2.gz QAYUPOYHBYZLMW-MRXNPFEDSA-N 1 1 290.363 2.768 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1(O)CCCC1 ZINC000876747556 642991592 /nfs/dbraw/zinc/99/15/92/642991592.db2.gz GXGQJBNGBBTVID-UHFFFAOYSA-N 1 1 292.379 2.949 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000876790200 643010608 /nfs/dbraw/zinc/01/06/08/643010608.db2.gz WGDGFVSKWICAGG-INIZCTEOSA-N 1 1 290.363 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000877553929 643354937 /nfs/dbraw/zinc/35/49/37/643354937.db2.gz CXAMPWGCBPSJIH-CYBMUJFWSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](O)CC1 ZINC000877553930 643355053 /nfs/dbraw/zinc/35/50/53/643355053.db2.gz CXAMPWGCBPSJIH-ZDUSSCGKSA-N 1 1 278.352 2.558 20 5 CFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561776 643361480 /nfs/dbraw/zinc/36/14/80/643361480.db2.gz QPTSKFWKFQUMPG-HIFRSBDPSA-N 1 1 292.379 2.804 20 5 CFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561778 643361559 /nfs/dbraw/zinc/36/15/59/643361559.db2.gz QPTSKFWKFQUMPG-ZFWWWQNUSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1nocc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877563821 643364316 /nfs/dbraw/zinc/36/43/16/643364316.db2.gz SALOIHVQMVKGIB-UHFFFAOYSA-N 1 1 281.699 2.834 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877751582 643526543 /nfs/dbraw/zinc/52/65/43/643526543.db2.gz HGLWPIFMQPXCHY-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877751582 643526548 /nfs/dbraw/zinc/52/65/48/643526548.db2.gz HGLWPIFMQPXCHY-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)[C@@H](O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202840 643792266 /nfs/dbraw/zinc/79/22/66/643792266.db2.gz UOOREXKUONIENH-INIZCTEOSA-N 1 1 292.379 2.966 20 5 CFBDMO C=C/C=C\CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251653 643808299 /nfs/dbraw/zinc/80/82/99/643808299.db2.gz PQVHPCRKKBUZEX-SCOBNMCVSA-N 1 1 288.351 2.608 20 5 CFBDMO C=C/C=C\CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251650 643808710 /nfs/dbraw/zinc/80/87/10/643808710.db2.gz PQVHPCRKKBUZEX-DHCBQETCSA-N 1 1 288.351 2.608 20 5 CFBDMO C[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721427 650880726 /nfs/dbraw/zinc/88/07/26/650880726.db2.gz HYDVUINRNCTFLW-ZWNOBZJWSA-N 1 1 297.786 2.821 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879964944 644480622 /nfs/dbraw/zinc/48/06/22/644480622.db2.gz UFEIFLJPCSTBDG-LBPRGKRZSA-N 1 1 296.342 2.717 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)CC1 ZINC000880242381 644605659 /nfs/dbraw/zinc/60/56/59/644605659.db2.gz XILRQJMUCPOOBD-UHFFFAOYSA-N 1 1 282.315 2.927 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452421 650940365 /nfs/dbraw/zinc/94/03/65/650940365.db2.gz ZWGLEMANQZBUNB-HRCADAONSA-N 1 1 289.379 2.605 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880435850 644704218 /nfs/dbraw/zinc/70/42/18/644704218.db2.gz VVNJCXSESIKNBY-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880435850 644704223 /nfs/dbraw/zinc/70/42/23/644704223.db2.gz VVNJCXSESIKNBY-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO CC(=O)c1c(N[C@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000882382616 645295649 /nfs/dbraw/zinc/29/56/49/645295649.db2.gz HTHCAVQMMDNJRI-LLVKDONJSA-N 1 1 293.367 2.938 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885937622 646774410 /nfs/dbraw/zinc/77/44/10/646774410.db2.gz FNANBYAPHHVKNX-ZBFHGGJFSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885937622 646774411 /nfs/dbraw/zinc/77/44/11/646774411.db2.gz FNANBYAPHHVKNX-ZBFHGGJFSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000886011325 646814458 /nfs/dbraw/zinc/81/44/58/646814458.db2.gz YQZRFMMPPBOFCY-MRXNPFEDSA-N 1 1 297.358 2.979 20 5 CFBDMO C[N@@H+](CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000886022494 646825175 /nfs/dbraw/zinc/82/51/75/646825175.db2.gz DBQCVIIMSFJHQI-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027778 646827271 /nfs/dbraw/zinc/82/72/71/646827271.db2.gz ILOQECQYJJLJGR-SWLSCSKDSA-N 1 1 293.367 2.625 20 5 CFBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027778 646827275 /nfs/dbraw/zinc/82/72/75/646827275.db2.gz ILOQECQYJJLJGR-SWLSCSKDSA-N 1 1 293.367 2.625 20 5 CFBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000886168714 646904648 /nfs/dbraw/zinc/90/46/48/646904648.db2.gz XOSWJOLFYOZZFZ-GXTWGEPZSA-N 1 1 293.367 2.627 20 5 CFBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886175290 646908621 /nfs/dbraw/zinc/90/86/21/646908621.db2.gz WPDPDOKRDVBKOY-HNNXBMFYSA-N 1 1 293.367 2.771 20 5 CFBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000886192218 646914500 /nfs/dbraw/zinc/91/45/00/646914500.db2.gz LMTQHYYIVNUGON-VIFPVBQESA-N 1 1 263.322 2.902 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203007 646918326 /nfs/dbraw/zinc/91/83/26/646918326.db2.gz JRGGVJWZDAVYOO-TZMCWYRMSA-N 1 1 293.367 2.505 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000886204370 646918997 /nfs/dbraw/zinc/91/89/97/646918997.db2.gz CMJLSDYVQOVTCA-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000886207489 646921261 /nfs/dbraw/zinc/92/12/61/646921261.db2.gz DUBFYYVDCUEIQB-GFCCVEGCSA-N 1 1 261.325 2.612 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000886250025 646937313 /nfs/dbraw/zinc/93/73/13/646937313.db2.gz ZABRJNJXMBSEDX-CYBMUJFWSA-N 1 1 293.392 2.707 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000886250025 646937316 /nfs/dbraw/zinc/93/73/16/646937316.db2.gz ZABRJNJXMBSEDX-CYBMUJFWSA-N 1 1 293.392 2.707 20 5 CFBDMO Cc1c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000886558521 647046385 /nfs/dbraw/zinc/04/63/85/647046385.db2.gz MSXKVLOVGKQWIH-BETUJISGSA-N 1 1 278.377 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886832547 647156771 /nfs/dbraw/zinc/15/67/71/647156771.db2.gz JQLKHUXVQLHMMB-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140023 647228591 /nfs/dbraw/zinc/22/85/91/647228591.db2.gz NKYMBTQFMRLBOJ-NSHDSACASA-N 1 1 297.330 2.522 20 5 CFBDMO C[C@@H]1NCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630110 648250206 /nfs/dbraw/zinc/25/02/06/648250206.db2.gz QYEAFGTWERAORU-GWCFXTLKSA-N 1 1 297.786 2.521 20 5 CFBDMO Cc1c([C@@H](C)NCCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000925742207 648306060 /nfs/dbraw/zinc/30/60/60/648306060.db2.gz QELFIXYSFGELPF-LLVKDONJSA-N 1 1 265.357 2.681 20 5 CFBDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931257103 649398275 /nfs/dbraw/zinc/39/82/75/649398275.db2.gz PXCOMUJDLGOTDJ-ZDUSSCGKSA-N 1 1 266.316 2.670 20 5 CFBDMO CCO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932975555 649666157 /nfs/dbraw/zinc/66/61/57/649666157.db2.gz VHSMWHWPZJKUJL-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933487215 649696858 /nfs/dbraw/zinc/69/68/58/649696858.db2.gz PASFYROAJWYVGY-LLVKDONJSA-N 1 1 299.330 2.776 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105833 649750371 /nfs/dbraw/zinc/75/03/71/649750371.db2.gz QFMQPWSUKMUPPI-OCCSQVGLSA-N 1 1 264.325 2.512 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115161 649752051 /nfs/dbraw/zinc/75/20/51/649752051.db2.gz FNFNMMDBLOIVDS-QWHCGFSZSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115161 649752055 /nfs/dbraw/zinc/75/20/55/649752055.db2.gz FNFNMMDBLOIVDS-QWHCGFSZSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123897 770798021 /nfs/dbraw/zinc/79/80/21/770798021.db2.gz ZRONSHXCOINVAI-DGCLKSJQSA-N 1 1 284.743 2.857 20 5 CFBDMO Cc1cnc(COC2C[NH+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001224181823 775121540 /nfs/dbraw/zinc/12/15/40/775121540.db2.gz AYMVZNTYMNCWMF-UHFFFAOYSA-N 1 1 293.367 2.606 20 5 CFBDMO C[C@@H](OC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224816802 775281721 /nfs/dbraw/zinc/28/17/21/775281721.db2.gz AOEKTXYHSKKBBY-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO C[NH+](C)C1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225492660 775480441 /nfs/dbraw/zinc/48/04/41/775480441.db2.gz ZMIKDBGCUDXOOH-UHFFFAOYSA-N 1 1 280.324 2.552 20 5 CFBDMO Cc1c(O[C@@H]2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001225689881 775560376 /nfs/dbraw/zinc/56/03/76/775560376.db2.gz QIGUSYDCVWZLFO-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778872 775590653 /nfs/dbraw/zinc/59/06/53/775590653.db2.gz KTSAYRGCBDMQDC-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225913330 775632686 /nfs/dbraw/zinc/63/26/86/775632686.db2.gz CLMLXDRVYLDUHV-VIFPVBQESA-N 1 1 290.241 2.697 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001226744852 775944013 /nfs/dbraw/zinc/94/40/13/775944013.db2.gz UULDITBLSJBGPT-JZYVYDRUSA-N 1 1 298.289 2.877 20 5 CFBDMO Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001226950268 776030999 /nfs/dbraw/zinc/03/09/99/776030999.db2.gz HAHPMDQOPWJNBM-IMRBUKKESA-N 1 1 276.336 2.907 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001227061826 776080768 /nfs/dbraw/zinc/08/07/68/776080768.db2.gz AWRGGFUVWFNYNR-LBPRGKRZSA-N 1 1 279.340 2.550 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760327 776294405 /nfs/dbraw/zinc/29/44/05/776294405.db2.gz ONAWSPFXTLCOCW-AWEZNQCLSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167786029 776388345 /nfs/dbraw/zinc/38/83/45/776388345.db2.gz GBZYRVPNFYMYLQ-UHFFFAOYSA-N 1 1 297.318 2.974 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001228839013 776628814 /nfs/dbraw/zinc/62/88/14/776628814.db2.gz RRFKTOIFVFRFON-CYBMUJFWSA-N 1 1 264.325 2.766 20 5 CFBDMO O=[N+]([O-])c1ccncc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228879311 776643567 /nfs/dbraw/zinc/64/35/67/776643567.db2.gz GNUHWEUJIMQYQY-AWEZNQCLSA-N 1 1 299.330 2.643 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342932 776785061 /nfs/dbraw/zinc/78/50/61/776785061.db2.gz DKTGVCOZEZWUKH-ZDUSSCGKSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396327 776799314 /nfs/dbraw/zinc/79/93/14/776799314.db2.gz RUQWIFGITNIOKL-LBPRGKRZSA-N 1 1 280.324 2.552 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396327 776799327 /nfs/dbraw/zinc/79/93/27/776799327.db2.gz RUQWIFGITNIOKL-LBPRGKRZSA-N 1 1 280.324 2.552 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230917847 777092532 /nfs/dbraw/zinc/09/25/32/777092532.db2.gz KPMBSKBGLJLLPU-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1cccc(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001225631065 777099854 /nfs/dbraw/zinc/09/98/54/777099854.db2.gz CPZIWUCCRBEUIH-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225908166 777331976 /nfs/dbraw/zinc/33/19/76/777331976.db2.gz YKANCLGXKJPNPA-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232218838 777479696 /nfs/dbraw/zinc/47/96/96/777479696.db2.gz MICHPYWYWFOYSG-BLLLJJGKSA-N 1 1 293.370 2.596 20 5 CFBDMO CN(CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000710694767 781334795 /nfs/dbraw/zinc/33/47/95/781334795.db2.gz QAJXFCKETGPUTK-UHFFFAOYSA-N 1 1 283.347 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000711635485 781461110 /nfs/dbraw/zinc/46/11/10/781461110.db2.gz UDNNVGLBOSXBIT-PHIMTYICSA-N 1 1 282.340 2.529 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594546599 349444916 /nfs/dbraw/zinc/44/49/16/349444916.db2.gz UKKIJWWIPMZAIP-NWDGAFQWSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000595026000 349554736 /nfs/dbraw/zinc/55/47/36/349554736.db2.gz MCUNCZKMBQIQAW-WCQYABFASA-N 1 1 286.335 2.977 20 5 CFBDMO CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000595002013 349544242 /nfs/dbraw/zinc/54/42/42/349544242.db2.gz ZVYVHLGRGXRPSA-UHFFFAOYSA-N 1 1 287.319 2.731 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595324210 349602374 /nfs/dbraw/zinc/60/23/74/349602374.db2.gz CCMZPSZXWBYZFL-VHSXEESVSA-N 1 1 267.329 2.902 20 5 CFBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335223 349604251 /nfs/dbraw/zinc/60/42/51/349604251.db2.gz SOUJIFOCTQFHQC-SMDDNHRTSA-N 1 1 297.355 2.527 20 5 CFBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335223 349604254 /nfs/dbraw/zinc/60/42/54/349604254.db2.gz SOUJIFOCTQFHQC-SMDDNHRTSA-N 1 1 297.355 2.527 20 5 CFBDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595288302 349591103 /nfs/dbraw/zinc/59/11/03/349591103.db2.gz NKCDJOCIYKCAON-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000595396512 349616083 /nfs/dbraw/zinc/61/60/83/349616083.db2.gz WNSNZJALFDWTSU-WCQYABFASA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595453473 349630728 /nfs/dbraw/zinc/63/07/28/349630728.db2.gz PEOZBMVMPFHMKZ-KOLCDFICSA-N 1 1 267.329 2.902 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595455194 349632018 /nfs/dbraw/zinc/63/20/18/349632018.db2.gz SWOYFWXRLJCFNI-LLVKDONJSA-N 1 1 296.342 2.859 20 5 CFBDMO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000595462438 349634351 /nfs/dbraw/zinc/63/43/51/349634351.db2.gz UBMKDBZHPHGKSX-PWSUYJOCSA-N 1 1 297.355 2.528 20 5 CFBDMO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000595462438 349634356 /nfs/dbraw/zinc/63/43/56/349634356.db2.gz UBMKDBZHPHGKSX-PWSUYJOCSA-N 1 1 297.355 2.528 20 5 CFBDMO CCCC[C@@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595492912 349641818 /nfs/dbraw/zinc/64/18/18/349641818.db2.gz ZIUGDTJRWVSBEH-SECBINFHSA-N 1 1 255.318 2.902 20 5 CFBDMO CCCC[C@@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595492912 349641819 /nfs/dbraw/zinc/64/18/19/349641819.db2.gz ZIUGDTJRWVSBEH-SECBINFHSA-N 1 1 255.318 2.902 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595499314 349642409 /nfs/dbraw/zinc/64/24/09/349642409.db2.gz XHNNIDMWRISPNC-ZDUSSCGKSA-N 1 1 282.315 2.733 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595506755 349645887 /nfs/dbraw/zinc/64/58/87/349645887.db2.gz LLDJVHRRJJRQTI-AWEZNQCLSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000595535609 349653357 /nfs/dbraw/zinc/65/33/57/349653357.db2.gz IJXBYJXIMMMSPX-CYBMUJFWSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670153 349694690 /nfs/dbraw/zinc/69/46/90/349694690.db2.gz AGDBEWCOWWZNSY-XJKSGUPXSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670805 349696200 /nfs/dbraw/zinc/69/62/00/349696200.db2.gz DLYXTDSQTFBIFR-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595696334 349706132 /nfs/dbraw/zinc/70/61/32/349706132.db2.gz KCBSIRGHKPAPRF-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595807571 349737051 /nfs/dbraw/zinc/73/70/51/349737051.db2.gz KPWFFNMUTQWHGG-CHWSQXEVSA-N 1 1 276.336 2.706 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595876268 349759489 /nfs/dbraw/zinc/75/94/89/349759489.db2.gz RHPBLEWXZYNQII-ZOWXZIJZSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595887960 349762032 /nfs/dbraw/zinc/76/20/32/349762032.db2.gz JKDJORNSYFMLEB-UHFFFAOYSA-N 1 1 278.377 2.742 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871973 349758511 /nfs/dbraw/zinc/75/85/11/349758511.db2.gz JFLNFXWICIPOQH-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871973 349758512 /nfs/dbraw/zinc/75/85/12/349758512.db2.gz JFLNFXWICIPOQH-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO CNC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105315 349795347 /nfs/dbraw/zinc/79/53/47/349795347.db2.gz KCDCBAGIJPPXPH-GZBFAFLISA-N 1 1 291.395 2.504 20 5 CFBDMO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105315 349795351 /nfs/dbraw/zinc/79/53/51/349795351.db2.gz KCDCBAGIJPPXPH-GZBFAFLISA-N 1 1 291.395 2.504 20 5 CFBDMO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596205053 349826264 /nfs/dbraw/zinc/82/62/64/349826264.db2.gz FHUYMIAWHBLMBC-LBPRGKRZSA-N 1 1 283.397 2.741 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596309351 349858891 /nfs/dbraw/zinc/85/88/91/349858891.db2.gz ZHQYGHLRLZWJCP-VIFPVBQESA-N 1 1 296.346 2.601 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596307815 349858927 /nfs/dbraw/zinc/85/89/27/349858927.db2.gz PFSKXKCPPYJWBN-NSHDSACASA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074740791 347029751 /nfs/dbraw/zinc/02/97/51/347029751.db2.gz ACPFCNYOYFOPDE-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000074767342 347031544 /nfs/dbraw/zinc/03/15/44/347031544.db2.gz ZWJBSRYJYMHJNL-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000596481052 349915296 /nfs/dbraw/zinc/91/52/96/349915296.db2.gz WNMGRILLIVFBJJ-JTQLQIEISA-N 1 1 296.396 2.870 20 5 CFBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570697 349944389 /nfs/dbraw/zinc/94/43/89/349944389.db2.gz MVXGMKRDGOVLGF-ZDUSSCGKSA-N 1 1 290.367 2.524 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CF)CC3)nc2c1 ZINC000295132274 199363552 /nfs/dbraw/zinc/36/35/52/199363552.db2.gz LDAULNJDBJTPOS-UHFFFAOYSA-N 1 1 293.298 2.918 20 5 CFBDMO CC(C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049442767 346482853 /nfs/dbraw/zinc/48/28/53/346482853.db2.gz HPBDFUFXKRPWTL-UHFFFAOYSA-N 1 1 299.758 2.775 20 5 CFBDMO CC(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049442535 346483038 /nfs/dbraw/zinc/48/30/38/346483038.db2.gz DVJXMWWULJVSBL-UHFFFAOYSA-N 1 1 299.758 2.775 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075765679 347097977 /nfs/dbraw/zinc/09/79/77/347097977.db2.gz GWZLQPWCBZPJEQ-NEPJUHHUSA-N 1 1 264.325 2.624 20 5 CFBDMO CCCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051180151 346500612 /nfs/dbraw/zinc/50/06/12/346500612.db2.gz APECMQKCFZOYFJ-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000064009777 346714292 /nfs/dbraw/zinc/71/42/92/346714292.db2.gz ZCGICWDYKRAXOC-UHFFFAOYSA-N 1 1 291.395 2.901 20 5 CFBDMO CCCN1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000062726467 346690635 /nfs/dbraw/zinc/69/06/35/346690635.db2.gz NIYZOSJEEQHOOM-UHFFFAOYSA-N 1 1 291.395 2.601 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810374 346780670 /nfs/dbraw/zinc/78/06/70/346780670.db2.gz RZMXODNEOLAIBE-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075894606 347107581 /nfs/dbraw/zinc/10/75/81/347107581.db2.gz VIGAVKQWVGASCD-TXEJJXNPSA-N 1 1 296.392 2.799 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000091480173 347589105 /nfs/dbraw/zinc/58/91/05/347589105.db2.gz UBHUFBDDIGAYMO-NSHDSACASA-N 1 1 272.308 2.702 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000092582302 347632794 /nfs/dbraw/zinc/63/27/94/347632794.db2.gz RWVFSYZSJBRTCJ-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000092764010 347646119 /nfs/dbraw/zinc/64/61/19/347646119.db2.gz NMHFWVZTLXWEEQ-CYBMUJFWSA-N 1 1 278.352 2.532 20 5 CFBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120884449 347809082 /nfs/dbraw/zinc/80/90/82/347809082.db2.gz PFZBWSYDRFZWHH-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120884449 347809085 /nfs/dbraw/zinc/80/90/85/347809085.db2.gz PFZBWSYDRFZWHH-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2CF)cc1 ZINC000293188154 348361554 /nfs/dbraw/zinc/36/15/54/348361554.db2.gz WIRCIADKAQTFSG-CYBMUJFWSA-N 1 1 252.289 2.571 20 5 CFBDMO Cc1[nH+]c2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000317676846 348432890 /nfs/dbraw/zinc/43/28/90/348432890.db2.gz GVSHAYCZNAYLEZ-UHFFFAOYSA-N 1 1 299.330 2.861 20 5 CFBDMO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389800 348440877 /nfs/dbraw/zinc/44/08/77/348440877.db2.gz XNROHDRYFHBZBL-TZMCWYRMSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389800 348440881 /nfs/dbraw/zinc/44/08/81/348440881.db2.gz XNROHDRYFHBZBL-TZMCWYRMSA-N 1 1 277.368 2.730 20 5 CFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000413272712 233044771 /nfs/dbraw/zinc/04/47/71/233044771.db2.gz XWDVGPAPLHRMNJ-NSHDSACASA-N 1 1 294.330 2.558 20 5 CFBDMO CN(c1ccsc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000588073617 348770567 /nfs/dbraw/zinc/77/05/67/348770567.db2.gz PEKGRSLGDGTKTL-ZACCUICWSA-N 1 1 281.381 2.718 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495962 348835724 /nfs/dbraw/zinc/83/57/24/348835724.db2.gz RMGCLRJOWXNQEX-NSHDSACASA-N 1 1 294.351 2.859 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000589584271 348839510 /nfs/dbraw/zinc/83/95/10/348839510.db2.gz OAPIZDUTVZRNKS-RKDXNWHRSA-N 1 1 267.354 2.693 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000590970341 348974922 /nfs/dbraw/zinc/97/49/22/348974922.db2.gz VKEXZMKSAUZUPT-GJZGRUSLSA-N 1 1 288.347 2.596 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591275639 349006416 /nfs/dbraw/zinc/00/64/16/349006416.db2.gz NSLQQEMVQUVTBG-ZFWWWQNUSA-N 1 1 291.395 2.648 20 5 CFBDMO C[N@@H+](CCC[C@@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000592121767 349086177 /nfs/dbraw/zinc/08/61/77/349086177.db2.gz ICZBLLPHLLRDNG-CQSZACIVSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1ccc(O)cc1CSCC1CC[NH2+]CC1 ZINC000592175385 349095348 /nfs/dbraw/zinc/09/53/48/349095348.db2.gz VIJSVNDOQQTHOZ-UHFFFAOYSA-N 1 1 282.365 2.533 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000592201580 349099654 /nfs/dbraw/zinc/09/96/54/349099654.db2.gz ILPGRCFTTTUJNR-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000593115365 349212383 /nfs/dbraw/zinc/21/23/83/349212383.db2.gz IVBDZADDADISOH-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000593115365 349212384 /nfs/dbraw/zinc/21/23/84/349212384.db2.gz IVBDZADDADISOH-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000593052548 349195083 /nfs/dbraw/zinc/19/50/83/349195083.db2.gz IZMXXJQHXKHCTR-AWEZNQCLSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593665427 349306915 /nfs/dbraw/zinc/30/69/15/349306915.db2.gz CIDUEMVIZHUWOV-DOMZBBRYSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593665427 349306916 /nfs/dbraw/zinc/30/69/16/349306916.db2.gz CIDUEMVIZHUWOV-DOMZBBRYSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000271241200 191023319 /nfs/dbraw/zinc/02/33/19/191023319.db2.gz YPIPGOGFFOBSNP-UHFFFAOYSA-N 1 1 290.363 2.906 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104687446 186013887 /nfs/dbraw/zinc/01/38/87/186013887.db2.gz KWTCYMFLKCAATL-LLVKDONJSA-N 1 1 279.340 2.572 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000271303007 191062190 /nfs/dbraw/zinc/06/21/90/191062190.db2.gz UTZHBQCDDLOCRR-BNVCYRGBSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070033 350370056 /nfs/dbraw/zinc/37/00/56/350370056.db2.gz JOZKRORIJBJQFN-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000599141141 350383728 /nfs/dbraw/zinc/38/37/28/350383728.db2.gz ZOYRYUHGGBBVRB-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO CC1(C)CCC(C)(C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599537282 350453054 /nfs/dbraw/zinc/45/30/54/350453054.db2.gz CWWVYCPXPZWIES-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1(C)COC1 ZINC000599571681 350458892 /nfs/dbraw/zinc/45/88/92/350458892.db2.gz PZRZIHZWBXQHJE-GFCCVEGCSA-N 1 1 278.352 2.933 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+](C3CC3)C3CC3)nc2c1 ZINC000599597990 350462150 /nfs/dbraw/zinc/46/21/50/350462150.db2.gz CCKRIWNZZUCYAL-UHFFFAOYSA-N 1 1 272.308 2.598 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C2CC2)C2CC2)c1 ZINC000599600161 350463289 /nfs/dbraw/zinc/46/32/89/350463289.db2.gz OMNJDCNWNNAOCZ-UHFFFAOYSA-N 1 1 290.319 2.508 20 5 CFBDMO COc1cc(C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000599600110 350463541 /nfs/dbraw/zinc/46/35/41/350463541.db2.gz NYNWYFVTLWOHJJ-UHFFFAOYSA-N 1 1 280.299 2.869 20 5 CFBDMO COc1ccc(Cn2cc[nH+]c2C2CC2)cc1[N+](=O)[O-] ZINC000600610053 350579897 /nfs/dbraw/zinc/57/98/97/350579897.db2.gz DOQSBBYUVLQHJB-UHFFFAOYSA-N 1 1 273.292 2.726 20 5 CFBDMO C[N@@H+](CCNCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000109405986 186251237 /nfs/dbraw/zinc/25/12/37/186251237.db2.gz SJQCNVBMWVKAPI-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO COCCCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601107894 350670104 /nfs/dbraw/zinc/67/01/04/350670104.db2.gz COPHNICRCWKVNF-UHFFFAOYSA-N 1 1 289.335 2.794 20 5 CFBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601110616 350670536 /nfs/dbraw/zinc/67/05/36/350670536.db2.gz HCJYSDOPWWAAIP-JTQLQIEISA-N 1 1 257.293 2.989 20 5 CFBDMO C[C@@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000601127501 350676132 /nfs/dbraw/zinc/67/61/32/350676132.db2.gz HWUGPMMPYJJXPP-HNNXBMFYSA-N 1 1 287.319 2.546 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(F)(F)C3)c2c1 ZINC000601138109 350679748 /nfs/dbraw/zinc/67/97/48/350679748.db2.gz OXGOGPZUHXABAA-UHFFFAOYSA-N 1 1 279.246 2.988 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC34CCOCC4)c2c1 ZINC000601171100 350687937 /nfs/dbraw/zinc/68/79/37/350687937.db2.gz IDDUNHUXPITWJM-HNNXBMFYSA-N 1 1 299.330 2.546 20 5 CFBDMO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000601189720 350692094 /nfs/dbraw/zinc/69/20/94/350692094.db2.gz MFDVNIXRQKQUES-VXGBXAGGSA-N 1 1 294.330 2.558 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601973629 350822684 /nfs/dbraw/zinc/82/26/84/350822684.db2.gz SBHXGJUUBRCXDS-CQSZACIVSA-N 1 1 291.395 2.771 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601976188 350822721 /nfs/dbraw/zinc/82/27/21/350822721.db2.gz OFOWNUSOOZMGGP-QDPHKQGLSA-N 1 1 288.347 2.576 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254386 186379637 /nfs/dbraw/zinc/37/96/37/186379637.db2.gz BIBJHLFITMZKTA-LLVKDONJSA-N 1 1 279.340 2.511 20 5 CFBDMO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602435746 350881317 /nfs/dbraw/zinc/88/13/17/350881317.db2.gz TVQAURCEFGYZTC-NSHDSACASA-N 1 1 292.364 2.727 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602435746 350881321 /nfs/dbraw/zinc/88/13/21/350881321.db2.gz TVQAURCEFGYZTC-NSHDSACASA-N 1 1 292.364 2.727 20 5 CFBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000602440091 350883765 /nfs/dbraw/zinc/88/37/65/350883765.db2.gz NVESKIBXIIQDLC-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000602440091 350883767 /nfs/dbraw/zinc/88/37/67/350883767.db2.gz NVESKIBXIIQDLC-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])n1 ZINC000602713000 350994967 /nfs/dbraw/zinc/99/49/67/350994967.db2.gz XRHJCIFLIZMGBI-AWEZNQCLSA-N 1 1 292.383 2.873 20 5 CFBDMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762269 351015919 /nfs/dbraw/zinc/01/59/19/351015919.db2.gz DUUYSBUOANRYBR-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762269 351015921 /nfs/dbraw/zinc/01/59/21/351015921.db2.gz DUUYSBUOANRYBR-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771249 351019432 /nfs/dbraw/zinc/01/94/32/351019432.db2.gz AUTBTXDSIDNZTP-VXGBXAGGSA-N 1 1 294.399 2.999 20 5 CFBDMO C[C@H](c1ccccc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768946 351019515 /nfs/dbraw/zinc/01/95/15/351019515.db2.gz XYYUUYXGHQJUFK-LLVKDONJSA-N 1 1 274.324 2.521 20 5 CFBDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768946 351019517 /nfs/dbraw/zinc/01/95/17/351019517.db2.gz XYYUUYXGHQJUFK-LLVKDONJSA-N 1 1 274.324 2.521 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000602777990 351021667 /nfs/dbraw/zinc/02/16/67/351021667.db2.gz AGOFVEDTMYCXTP-VXGBXAGGSA-N 1 1 280.372 2.610 20 5 CFBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602784267 351023839 /nfs/dbraw/zinc/02/38/39/351023839.db2.gz MPUXTIAARWNYDF-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO CCC1(CC)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787105 351024608 /nfs/dbraw/zinc/02/46/08/351024608.db2.gz HWONKGWPVDFIGO-UHFFFAOYSA-N 1 1 280.372 2.612 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000602785221 351025099 /nfs/dbraw/zinc/02/50/99/351025099.db2.gz SNYQUQUASJZOPU-BNOWGMLFSA-N 1 1 292.383 2.753 20 5 CFBDMO C[C@@H]1OCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796989 351029322 /nfs/dbraw/zinc/02/93/22/351029322.db2.gz LFXPEYNVNIIUPC-STQMWFEESA-N 1 1 290.363 2.984 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000602804830 351033133 /nfs/dbraw/zinc/03/31/33/351033133.db2.gz LNJBJTZHGMAUHD-SWLSCSKDSA-N 1 1 292.383 2.612 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000602821273 351037628 /nfs/dbraw/zinc/03/76/28/351037628.db2.gz OIGVDBKBBWOCBA-CYBMUJFWSA-N 1 1 294.399 2.858 20 5 CFBDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834791 351040656 /nfs/dbraw/zinc/04/06/56/351040656.db2.gz CUGNBELEYNWWQQ-CQSZACIVSA-N 1 1 280.372 2.729 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1F ZINC000602874429 351055457 /nfs/dbraw/zinc/05/54/57/351055457.db2.gz PYIQHQWMNYRNJM-CYBMUJFWSA-N 1 1 292.314 2.708 20 5 CFBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccns1 ZINC000602885567 351058213 /nfs/dbraw/zinc/05/82/13/351058213.db2.gz YIXVIGWKQITPQH-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccns1 ZINC000602885567 351058216 /nfs/dbraw/zinc/05/82/16/351058216.db2.gz YIXVIGWKQITPQH-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603431711 351163839 /nfs/dbraw/zinc/16/38/39/351163839.db2.gz GJNPGBZDGTWTRA-LEWSCRJBSA-N 1 1 277.368 2.680 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000609571026 351507750 /nfs/dbraw/zinc/50/77/50/351507750.db2.gz WOHXZKFOYUPTMU-UHFFFAOYSA-N 1 1 257.359 2.800 20 5 CFBDMO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000609766703 351518765 /nfs/dbraw/zinc/51/87/65/351518765.db2.gz GKIAQSYEJHLUFW-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000609766703 351518769 /nfs/dbraw/zinc/51/87/69/351518769.db2.gz GKIAQSYEJHLUFW-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000610550188 351581074 /nfs/dbraw/zinc/58/10/74/351581074.db2.gz GWZSGSAXKOHDRC-JTQLQIEISA-N 1 1 269.370 2.943 20 5 CFBDMO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000610804173 351610324 /nfs/dbraw/zinc/61/03/24/351610324.db2.gz LVKOEXLFIHQVTA-ZBKLQPJUSA-N 1 1 298.346 2.998 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)[NH+](C)C ZINC000610810978 351610391 /nfs/dbraw/zinc/61/03/91/351610391.db2.gz HEYIBERWKQUYFA-VXGBXAGGSA-N 1 1 265.357 2.504 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000611084794 351639057 /nfs/dbraw/zinc/63/90/57/351639057.db2.gz UEVMMKBOQQFFDD-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO CC[N@H+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092365 351640003 /nfs/dbraw/zinc/64/00/03/351640003.db2.gz RHHNIVQYZHDWHU-CHWSQXEVSA-N 1 1 277.368 2.682 20 5 CFBDMO CC[N@H+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092367 351640038 /nfs/dbraw/zinc/64/00/38/351640038.db2.gz RHHNIVQYZHDWHU-QWHCGFSZSA-N 1 1 277.368 2.682 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000611133215 351643757 /nfs/dbraw/zinc/64/37/57/351643757.db2.gz PKEBQFGMRUYQEK-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000611133215 351643760 /nfs/dbraw/zinc/64/37/60/351643760.db2.gz PKEBQFGMRUYQEK-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000611249184 351656732 /nfs/dbraw/zinc/65/67/32/351656732.db2.gz DXXYTAAJONDHQM-UHFFFAOYSA-N 1 1 291.351 2.634 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273792 351662548 /nfs/dbraw/zinc/66/25/48/351662548.db2.gz UPMYPPZOUZNCJX-WDEREUQCSA-N 1 1 292.335 2.596 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254863 351659343 /nfs/dbraw/zinc/65/93/43/351659343.db2.gz PPBMYOACXIIYFC-JTQLQIEISA-N 1 1 280.324 2.596 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000610946415 351623267 /nfs/dbraw/zinc/62/32/67/351623267.db2.gz GQIDLRQCYRJABG-CYBMUJFWSA-N 1 1 292.383 2.770 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612134141 351778991 /nfs/dbraw/zinc/77/89/91/351778991.db2.gz KZJPOAUJUNTUCE-YXAMBPQSSA-N 1 1 290.363 2.667 20 5 CFBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000611943772 351754246 /nfs/dbraw/zinc/75/42/46/351754246.db2.gz WHKVXHKVMXQGMP-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1(O)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000122047421 187012236 /nfs/dbraw/zinc/01/22/36/187012236.db2.gz GGFPYDJGXPNWJE-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291758774 198083441 /nfs/dbraw/zinc/08/34/41/198083441.db2.gz LADDOHYJJPXBLO-WFASDCNBSA-N 1 1 286.335 2.799 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655550 187102956 /nfs/dbraw/zinc/10/29/56/187102956.db2.gz PFVRYEKOFMSRIN-GXTWGEPZSA-N 1 1 278.352 2.720 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532706 191195720 /nfs/dbraw/zinc/19/57/20/191195720.db2.gz MNKNKEATFJUTRV-NJZAAPMLSA-N 1 1 278.352 2.891 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292111900 198167082 /nfs/dbraw/zinc/16/70/82/198167082.db2.gz JCTXZKDYOLRNTM-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000271576163 191222191 /nfs/dbraw/zinc/22/21/91/191222191.db2.gz CSLREMNVTRQFPO-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000619846243 353069051 /nfs/dbraw/zinc/06/90/51/353069051.db2.gz WKIDNFNNLBPHAB-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000153963637 188113943 /nfs/dbraw/zinc/11/39/43/188113943.db2.gz PKWAUEJNXGRJNX-HZPDHXFCSA-N 1 1 290.363 2.893 20 5 CFBDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157864760 188343526 /nfs/dbraw/zinc/34/35/26/188343526.db2.gz GYTYFRNCKBMUGV-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO CCc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000158720811 188390799 /nfs/dbraw/zinc/39/07/99/188390799.db2.gz DBNFELYELFMNHE-UHFFFAOYSA-N 1 1 275.308 2.823 20 5 CFBDMO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728639 191295638 /nfs/dbraw/zinc/29/56/38/191295638.db2.gz MPMVNMHVBNOOTL-QWHCGFSZSA-N 1 1 277.368 2.730 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010349 283099798 /nfs/dbraw/zinc/09/97/98/283099798.db2.gz LIEISYWDCPUTLV-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272995017 192012241 /nfs/dbraw/zinc/01/22/41/192012241.db2.gz QMTAKHHXIXTEDL-LLVKDONJSA-N 1 1 261.325 2.657 20 5 CFBDMO Cc1nocc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000294596600 199101090 /nfs/dbraw/zinc/10/10/90/199101090.db2.gz HRQYUZAAVSZCEW-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000296840126 200012118 /nfs/dbraw/zinc/01/21/18/200012118.db2.gz MVLGBPSSGCGKDA-WCQYABFASA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177878372 189075800 /nfs/dbraw/zinc/07/58/00/189075800.db2.gz LTUUSSNXXIEVOH-UTUOFQBUSA-N 1 1 291.351 2.652 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178568641 189127612 /nfs/dbraw/zinc/12/76/12/189127612.db2.gz HHYVGBNWPJDUAE-CQSZACIVSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423332179 238383052 /nfs/dbraw/zinc/38/30/52/238383052.db2.gz PBRGXDLFFUQGLM-BBRMVZONSA-N 1 1 291.395 2.944 20 5 CFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751967 297306140 /nfs/dbraw/zinc/30/61/40/297306140.db2.gz XDVBPXZFJVLQAF-IOASZLSFSA-N 1 1 289.379 2.761 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000301430691 201006334 /nfs/dbraw/zinc/00/63/34/201006334.db2.gz GKSHWKFTBYTHGK-SNVBAGLBSA-N 1 1 297.330 2.637 20 5 CFBDMO Cc1nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662012 201122546 /nfs/dbraw/zinc/12/25/46/201122546.db2.gz UVMOJBRJBXWGKL-NEPJUHHUSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1(O)CCCC1 ZINC000183355967 189356391 /nfs/dbraw/zinc/35/63/91/189356391.db2.gz NJRQTSQPHMSFCT-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000183789224 189368070 /nfs/dbraw/zinc/36/80/70/189368070.db2.gz AJYUYYLPMAWIIM-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301782172 201194710 /nfs/dbraw/zinc/19/47/10/201194710.db2.gz JYBMBTSMZIIFTE-ZDUSSCGKSA-N 1 1 292.383 2.912 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1sccc1[N+](=O)[O-] ZINC000302018505 201301335 /nfs/dbraw/zinc/30/13/35/201301335.db2.gz MRYSVPIDVWPJQB-LLVKDONJSA-N 1 1 283.397 2.967 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302132739 201355536 /nfs/dbraw/zinc/35/55/36/201355536.db2.gz BZWQLJXDCJAMRX-UHFFFAOYSA-N 1 1 275.352 2.967 20 5 CFBDMO CC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000432782834 240042497 /nfs/dbraw/zinc/04/24/97/240042497.db2.gz VWFZTTLYVMSVKM-GFCCVEGCSA-N 1 1 290.367 2.666 20 5 CFBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444646774 241157808 /nfs/dbraw/zinc/15/78/08/241157808.db2.gz FSCWENKMJZOLMW-UHFFFAOYSA-N 1 1 274.324 2.846 20 5 CFBDMO Cc1cc(C)cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000444712042 241176409 /nfs/dbraw/zinc/17/64/09/241176409.db2.gz YBTWETPDFUPYQU-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632834 242081879 /nfs/dbraw/zinc/08/18/79/242081879.db2.gz NXNVSRQSNDTNLX-GJZGRUSLSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737054 299373398 /nfs/dbraw/zinc/37/33/98/299373398.db2.gz NUKSQDKDKHSXDQ-SGMGOOAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737054 299373400 /nfs/dbraw/zinc/37/34/00/299373400.db2.gz NUKSQDKDKHSXDQ-SGMGOOAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000134824075 296151600 /nfs/dbraw/zinc/15/16/00/296151600.db2.gz GTZOIMVGTYOPLJ-WDEREUQCSA-N 1 1 293.367 2.549 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955196 245375760 /nfs/dbraw/zinc/37/57/60/245375760.db2.gz FCTKBMRVYYQCIB-CMPLNLGQSA-N 1 1 281.331 2.937 20 5 CFBDMO Cc1c(NC(=O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000010495545 371909911 /nfs/dbraw/zinc/90/99/11/371909911.db2.gz LISYVVCJRRVWDC-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@H]1O ZINC000286755106 196696802 /nfs/dbraw/zinc/69/68/02/196696802.db2.gz YYOLDDNPRCNIGY-CHWSQXEVSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092036 372229281 /nfs/dbraw/zinc/22/92/81/372229281.db2.gz VFWBSNOHTSHATJ-WFASDCNBSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092036 372229286 /nfs/dbraw/zinc/22/92/86/372229286.db2.gz VFWBSNOHTSHATJ-WFASDCNBSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000048583894 373205543 /nfs/dbraw/zinc/20/55/43/373205543.db2.gz UDJDGHYVSAJHAM-UHFFFAOYSA-N 1 1 279.340 2.511 20 5 CFBDMO CC(C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442765 373296625 /nfs/dbraw/zinc/29/66/25/373296625.db2.gz BMDYZSZVCFVFQM-UHFFFAOYSA-N 1 1 279.340 2.511 20 5 CFBDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049442739 373297013 /nfs/dbraw/zinc/29/70/13/373297013.db2.gz PCOPEIPQSOMJKZ-LLVKDONJSA-N 1 1 279.340 2.510 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000049937546 373333457 /nfs/dbraw/zinc/33/34/57/373333457.db2.gz SPAIVJXQTKXAJJ-UHFFFAOYSA-N 1 1 257.721 2.612 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000062010326 373743989 /nfs/dbraw/zinc/74/39/89/373743989.db2.gz XCORDNJJBBXUIM-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351296 373759472 /nfs/dbraw/zinc/75/94/72/373759472.db2.gz SJSCSOWDXFPUPO-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000289529985 197390452 /nfs/dbraw/zinc/39/04/52/197390452.db2.gz BVHJZFOZBOQKAS-JTQLQIEISA-N 1 1 299.396 2.507 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1csc([N+](=O)[O-])c1 ZINC000075860940 374508424 /nfs/dbraw/zinc/50/84/24/374508424.db2.gz SFYUCBQBUSMNGH-ZDUSSCGKSA-N 1 1 297.424 2.963 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451774938 383703471 /nfs/dbraw/zinc/70/34/71/383703471.db2.gz CEYFEHCRARQHTM-ZDUSSCGKSA-N 1 1 280.368 2.824 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083417646 374743794 /nfs/dbraw/zinc/74/37/94/374743794.db2.gz CLDCEKNPEQRYLB-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000092196307 375094462 /nfs/dbraw/zinc/09/44/62/375094462.db2.gz OBPMFADGRLBRRN-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000093097784 375186239 /nfs/dbraw/zinc/18/62/39/375186239.db2.gz XGAMPUJCTYCPBJ-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000093097784 375186247 /nfs/dbraw/zinc/18/62/47/375186247.db2.gz XGAMPUJCTYCPBJ-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000093614754 375278187 /nfs/dbraw/zinc/27/81/87/375278187.db2.gz QEWPKABQXKMGKV-CABCVRRESA-N 1 1 289.379 2.572 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000571603998 383708427 /nfs/dbraw/zinc/70/84/27/383708427.db2.gz WWAGBNARAVVNKJ-OAHLLOKOSA-N 1 1 283.331 2.979 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505607387 247145491 /nfs/dbraw/zinc/14/54/91/247145491.db2.gz WRXPTDXCGDOXTG-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505607387 247145494 /nfs/dbraw/zinc/14/54/94/247145494.db2.gz WRXPTDXCGDOXTG-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410255 375672810 /nfs/dbraw/zinc/67/28/10/375672810.db2.gz BRGQPNMRZVHYJQ-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO Cc1c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319460 /nfs/dbraw/zinc/31/94/60/376319460.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 1 1 291.395 2.677 20 5 CFBDMO C[C@H]1SCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118414589 376295895 /nfs/dbraw/zinc/29/58/95/376295895.db2.gz UZVLXEGGDMEVBV-WDEREUQCSA-N 1 1 266.366 2.921 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119901922 376502451 /nfs/dbraw/zinc/50/24/51/376502451.db2.gz WUXYDRQDXPDQOJ-GFCCVEGCSA-N 1 1 266.366 2.841 20 5 CFBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000120614028 376652581 /nfs/dbraw/zinc/65/25/81/376652581.db2.gz HVGXSTGTQTZDNR-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000121071033 376757269 /nfs/dbraw/zinc/75/72/69/376757269.db2.gz WLOBTUFCVSHRDN-CYBMUJFWSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056682 377011970 /nfs/dbraw/zinc/01/19/70/377011970.db2.gz KSDSFXWBIIFGHM-MNOVXSKESA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000132515615 377849597 /nfs/dbraw/zinc/84/95/97/377849597.db2.gz AICZAYANVZFIOJ-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC000149578645 378266129 /nfs/dbraw/zinc/26/61/29/378266129.db2.gz FDPHQBSOAOAZSK-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152836528 378451678 /nfs/dbraw/zinc/45/16/78/378451678.db2.gz VSZKRRBMRDPCNR-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO CCCCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153037021 378468176 /nfs/dbraw/zinc/46/81/76/378468176.db2.gz YUSAGHWVESRVOP-UHFFFAOYSA-N 1 1 278.352 2.770 20 5 CFBDMO CCCCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153037021 378468179 /nfs/dbraw/zinc/46/81/79/378468179.db2.gz YUSAGHWVESRVOP-UHFFFAOYSA-N 1 1 278.352 2.770 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461081 378562533 /nfs/dbraw/zinc/56/25/33/378562533.db2.gz WMWAXYXWRXTFBK-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461081 378562537 /nfs/dbraw/zinc/56/25/37/378562537.db2.gz WMWAXYXWRXTFBK-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331270800 378660764 /nfs/dbraw/zinc/66/07/64/378660764.db2.gz ATQRGEROYZSITG-NORZTCDRSA-N 1 1 292.379 2.885 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000331329380 378670373 /nfs/dbraw/zinc/67/03/73/378670373.db2.gz RXUZYYOKDMEBIE-UHFFFAOYSA-N 1 1 280.372 2.729 20 5 CFBDMO Cc1c(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191858 378647453 /nfs/dbraw/zinc/64/74/53/378647453.db2.gz QAKNNOMLZRXOQL-WFASDCNBSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC000332574981 378777011 /nfs/dbraw/zinc/77/70/11/378777011.db2.gz CDBSASMOHOEBBK-INIZCTEOSA-N 1 1 290.363 2.912 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894147 383733647 /nfs/dbraw/zinc/73/36/47/383733647.db2.gz CNWAQJCSXBLSJG-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894147 383733649 /nfs/dbraw/zinc/73/36/49/383733649.db2.gz CNWAQJCSXBLSJG-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171691606 379374661 /nfs/dbraw/zinc/37/46/61/379374661.db2.gz WEHYZFQGOHCJDO-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000171699309 379377971 /nfs/dbraw/zinc/37/79/71/379377971.db2.gz PCWBOURIDFGSMA-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000171699309 379377980 /nfs/dbraw/zinc/37/79/80/379377980.db2.gz PCWBOURIDFGSMA-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171951759 379449573 /nfs/dbraw/zinc/44/95/73/379449573.db2.gz FUPYZLZBZNCLOM-LLVKDONJSA-N 1 1 294.351 2.939 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375435 379731661 /nfs/dbraw/zinc/73/16/61/379731661.db2.gz FEQSZRBXIFOTRQ-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375435 379731668 /nfs/dbraw/zinc/73/16/68/379731668.db2.gz FEQSZRBXIFOTRQ-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000571938856 383741178 /nfs/dbraw/zinc/74/11/78/383741178.db2.gz CSPTWIZWPVIHCO-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CSCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179240772 380521675 /nfs/dbraw/zinc/52/16/75/380521675.db2.gz YUEPAAADAPXJEZ-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814352 380674542 /nfs/dbraw/zinc/67/45/42/380674542.db2.gz FLCWBKRFVNDJAZ-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814352 380674548 /nfs/dbraw/zinc/67/45/48/380674548.db2.gz FLCWBKRFVNDJAZ-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814161 380674617 /nfs/dbraw/zinc/67/46/17/380674617.db2.gz WLDVQEIVDINTTL-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181387997 380785886 /nfs/dbraw/zinc/78/58/86/380785886.db2.gz JTZYVMLCZGPWPZ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181387997 380785888 /nfs/dbraw/zinc/78/58/88/380785888.db2.gz JTZYVMLCZGPWPZ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146367 380915284 /nfs/dbraw/zinc/91/52/84/380915284.db2.gz ZFMMOBFFZQXRQG-STQMWFEESA-N 1 1 290.363 2.768 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000182216574 381025793 /nfs/dbraw/zinc/02/57/93/381025793.db2.gz OBEAGNRGQNQIOG-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO C[NH+](C)CC1(NC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000341507508 381054813 /nfs/dbraw/zinc/05/48/13/381054813.db2.gz DFSDHFVHFOEZEY-YVMONPNESA-N 1 1 289.379 2.682 20 5 CFBDMO COCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347347319 381087534 /nfs/dbraw/zinc/08/75/34/381087534.db2.gz WUYVIOZCUCFALK-FMIVXFBMSA-N 1 1 264.325 2.576 20 5 CFBDMO CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295818526 381095018 /nfs/dbraw/zinc/09/50/18/381095018.db2.gz CBNCABKUTFCFNI-OAHLLOKOSA-N 1 1 292.379 2.884 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000347442148 381154480 /nfs/dbraw/zinc/15/44/80/381154480.db2.gz DQBNIVKBESLXJO-UHFFFAOYSA-N 1 1 294.351 2.603 20 5 CFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000182642788 381126420 /nfs/dbraw/zinc/12/64/20/381126420.db2.gz GGLJQNNCCNWLBM-LLVKDONJSA-N 1 1 294.351 2.677 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000295968041 381187968 /nfs/dbraw/zinc/18/79/68/381187968.db2.gz IEYOCOYLWKWTCI-JTQLQIEISA-N 1 1 292.314 2.801 20 5 CFBDMO CCc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000341726001 381191968 /nfs/dbraw/zinc/19/19/68/381191968.db2.gz GEUOXORFLRNQPT-NSHDSACASA-N 1 1 286.335 2.851 20 5 CFBDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616374 381257500 /nfs/dbraw/zinc/25/75/00/381257500.db2.gz LSZODEWKAJQYEB-QWHCGFSZSA-N 1 1 294.399 2.938 20 5 CFBDMO COc1cncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000289935063 381224299 /nfs/dbraw/zinc/22/42/99/381224299.db2.gz OMJHEKGNEWMBHC-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093500 381295852 /nfs/dbraw/zinc/29/58/52/381295852.db2.gz HNPQVJPLKRCFCN-CHWSQXEVSA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093500 381295854 /nfs/dbraw/zinc/29/58/54/381295854.db2.gz HNPQVJPLKRCFCN-CHWSQXEVSA-N 1 1 279.384 2.974 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000195196093 270250993 /nfs/dbraw/zinc/25/09/93/270250993.db2.gz IOBDVZMQLMOIRF-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](SC)C1 ZINC000296204279 381301280 /nfs/dbraw/zinc/30/12/80/381301280.db2.gz JKNMWGIONJVQOC-GFCCVEGCSA-N 1 1 282.365 2.541 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](CO)C1 ZINC000370071538 381376752 /nfs/dbraw/zinc/37/67/52/381376752.db2.gz TXHYFHOXIUZQRX-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO Cc1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000370271003 381417544 /nfs/dbraw/zinc/41/75/44/381417544.db2.gz ONUAOVBREZHSIF-JTQLQIEISA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000370271003 381417547 /nfs/dbraw/zinc/41/75/47/381417547.db2.gz ONUAOVBREZHSIF-JTQLQIEISA-N 1 1 272.308 2.596 20 5 CFBDMO C[C@H]1COCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370181545 381399325 /nfs/dbraw/zinc/39/93/25/381399325.db2.gz GYYRECARWJVTKP-DIECRNLCSA-N 1 1 276.336 2.576 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000354744993 381433127 /nfs/dbraw/zinc/43/31/27/381433127.db2.gz IVVDUSHQMJCNGF-QSOAKEGCSA-N 1 1 290.363 2.845 20 5 CFBDMO COc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342611414 381433618 /nfs/dbraw/zinc/43/36/18/381433618.db2.gz XRAQFBAICXCGLV-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000342590798 381419435 /nfs/dbraw/zinc/41/94/35/381419435.db2.gz NKSVNRBUQLWHFI-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO COc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501063 381453870 /nfs/dbraw/zinc/45/38/70/381453870.db2.gz AROJGQSYQATHPX-GHMZBOCLSA-N 1 1 291.351 2.641 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000290646484 381510059 /nfs/dbraw/zinc/51/00/59/381510059.db2.gz IIZJUCUAMOBQCL-GFCCVEGCSA-N 1 1 295.383 2.882 20 5 CFBDMO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000370922222 381515473 /nfs/dbraw/zinc/51/54/73/381515473.db2.gz IGPMHRFEBLDJKI-UHFFFAOYSA-N 1 1 270.354 2.657 20 5 CFBDMO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000370922222 381515476 /nfs/dbraw/zinc/51/54/76/381515476.db2.gz IGPMHRFEBLDJKI-UHFFFAOYSA-N 1 1 270.354 2.657 20 5 CFBDMO COc1cccc(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185181986 381555294 /nfs/dbraw/zinc/55/52/94/381555294.db2.gz AVXFIVQFEQIOMN-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO CC(C)C[C@H](CO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185347389 381605394 /nfs/dbraw/zinc/60/53/94/381605394.db2.gz VWJPFNJCGDYLHY-LLVKDONJSA-N 1 1 284.331 2.573 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185347389 381605396 /nfs/dbraw/zinc/60/53/96/381605396.db2.gz VWJPFNJCGDYLHY-LLVKDONJSA-N 1 1 284.331 2.573 20 5 CFBDMO Cc1c(CN2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569560 381639250 /nfs/dbraw/zinc/63/92/50/381639250.db2.gz GVOPNEHBVCCOQQ-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+]2CCN(C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569560 381639255 /nfs/dbraw/zinc/63/92/55/381639255.db2.gz GVOPNEHBVCCOQQ-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569560 381639259 /nfs/dbraw/zinc/63/92/59/381639259.db2.gz GVOPNEHBVCCOQQ-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(CN2CC[N@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569559 381639404 /nfs/dbraw/zinc/63/94/04/381639404.db2.gz GVOPNEHBVCCOQQ-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+]2CCN(C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569559 381639412 /nfs/dbraw/zinc/63/94/12/381639412.db2.gz GVOPNEHBVCCOQQ-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+]2CCN(C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569559 381639417 /nfs/dbraw/zinc/63/94/17/381639417.db2.gz GVOPNEHBVCCOQQ-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000348705733 381676132 /nfs/dbraw/zinc/67/61/32/381676132.db2.gz GHYIVJSERFIWBU-LBPRGKRZSA-N 1 1 280.368 2.921 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000298581400 381678784 /nfs/dbraw/zinc/67/87/84/381678784.db2.gz VGXLLLUBTRHHQA-NWDGAFQWSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000355213500 381683278 /nfs/dbraw/zinc/68/32/78/381683278.db2.gz RCZYGTJXBCLWAD-OLZOCXBDSA-N 1 1 296.392 2.905 20 5 CFBDMO Cc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)c(F)cc1[N+](=O)[O-] ZINC000359970274 381704924 /nfs/dbraw/zinc/70/49/24/381704924.db2.gz YNAKDKFRUSXABL-VIFPVBQESA-N 1 1 290.298 2.735 20 5 CFBDMO Cc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000359970274 381704936 /nfs/dbraw/zinc/70/49/36/381704936.db2.gz YNAKDKFRUSXABL-VIFPVBQESA-N 1 1 290.298 2.735 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000360047433 381748846 /nfs/dbraw/zinc/74/88/46/381748846.db2.gz LHCMDKLLJLSVGN-NEPJUHHUSA-N 1 1 295.358 2.961 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN)C1CCCC1 ZINC000415071993 381755627 /nfs/dbraw/zinc/75/56/27/381755627.db2.gz XGYLPTJTIAPPCA-HNNXBMFYSA-N 1 1 277.368 2.510 20 5 CFBDMO NC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071573 381755933 /nfs/dbraw/zinc/75/59/33/381755933.db2.gz WOYFIDXKKMJZMF-HMZQOCAUSA-N 1 1 289.379 2.715 20 5 CFBDMO CCC[C@@H](C)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271860 381783391 /nfs/dbraw/zinc/78/33/91/381783391.db2.gz DWYRRWRUIDXUAL-OLZOCXBDSA-N 1 1 280.372 2.864 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000292028433 381787264 /nfs/dbraw/zinc/78/72/64/381787264.db2.gz YVMIRAUIQNUWIJ-LBPRGKRZSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343518666 381767508 /nfs/dbraw/zinc/76/75/08/381767508.db2.gz MHVSYWNBRUVASX-ZWNOBZJWSA-N 1 1 291.351 2.692 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000299098712 381823237 /nfs/dbraw/zinc/82/32/37/381823237.db2.gz YWOOJWYQNZVPOY-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292376341 381801426 /nfs/dbraw/zinc/80/14/26/381801426.db2.gz SIMMXPNOSLIZLK-CYBMUJFWSA-N 1 1 289.379 2.905 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000299208254 381860329 /nfs/dbraw/zinc/86/03/29/381860329.db2.gz RSOXQOPIMLSCBE-JTQLQIEISA-N 1 1 252.339 2.705 20 5 CFBDMO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000349246422 381863931 /nfs/dbraw/zinc/86/39/31/381863931.db2.gz XEYTWSUZNJRCCQ-LBPRGKRZSA-N 1 1 295.770 2.921 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373279307 381967566 /nfs/dbraw/zinc/96/75/66/381967566.db2.gz SJBUFZXARQHQLO-XHDPSFHLSA-N 1 1 276.336 2.503 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000186735063 381996924 /nfs/dbraw/zinc/99/69/24/381996924.db2.gz GSLFIHPZWKAKAU-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)ccc1Cl ZINC000373298907 381974261 /nfs/dbraw/zinc/97/42/61/381974261.db2.gz LBWLGLYOTWRRPL-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO CC(C)CC1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000343992819 382054597 /nfs/dbraw/zinc/05/45/97/382054597.db2.gz NXOBFEFBDVUGRR-UHFFFAOYSA-N 1 1 294.399 2.977 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273699 382057705 /nfs/dbraw/zinc/05/77/05/382057705.db2.gz CLUBNEURJXVIPQ-NWDGAFQWSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273699 382057715 /nfs/dbraw/zinc/05/77/15/382057715.db2.gz CLUBNEURJXVIPQ-NWDGAFQWSA-N 1 1 294.399 2.558 20 5 CFBDMO CN(C)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297706 382034141 /nfs/dbraw/zinc/03/41/41/382034141.db2.gz JHKZQOPHGBWMSA-INIZCTEOSA-N 1 1 291.395 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362446834 382073673 /nfs/dbraw/zinc/07/36/73/382073673.db2.gz AWSUTUWOQHSUGV-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293354717 382091839 /nfs/dbraw/zinc/09/18/39/382091839.db2.gz HCWUQXSMLMGZMA-QMMMGPOBSA-N 1 1 278.337 2.606 20 5 CFBDMO C[C@@H]1C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352015715 382130846 /nfs/dbraw/zinc/13/08/46/382130846.db2.gz RPGKZYYIGCPCOO-RKDXNWHRSA-N 1 1 270.279 2.961 20 5 CFBDMO CCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301274450 382131417 /nfs/dbraw/zinc/13/14/17/382131417.db2.gz LIBFZXAHNRSFQR-UHFFFAOYSA-N 1 1 298.774 2.565 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301295442 382139820 /nfs/dbraw/zinc/13/98/20/382139820.db2.gz XDGLZSOARAIURH-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO C[N@@H+](CCc1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000344230826 382216476 /nfs/dbraw/zinc/21/64/76/382216476.db2.gz YHNQZSNWLFKVFU-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO Cc1nc(N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363449417 382233547 /nfs/dbraw/zinc/23/35/47/382233547.db2.gz KNEMXCMCTLHDEG-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000302689311 382292033 /nfs/dbraw/zinc/29/20/33/382292033.db2.gz UVRWPDAQNVFQNX-LBPRGKRZSA-N 1 1 286.335 2.835 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419334515 382289964 /nfs/dbraw/zinc/28/99/64/382289964.db2.gz VOOAEPGGDPRXPU-CHWSQXEVSA-N 1 1 294.399 2.938 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000377700095 382325451 /nfs/dbraw/zinc/32/54/51/382325451.db2.gz JJMNXOAVHVFRCH-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOC(C)(C)C1 ZINC000377700095 382325456 /nfs/dbraw/zinc/32/54/56/382325456.db2.gz JJMNXOAVHVFRCH-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc(C[N@@H+](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000352424284 382326097 /nfs/dbraw/zinc/32/60/97/382326097.db2.gz DXGWIDHBOIFZSV-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000302825972 382329300 /nfs/dbraw/zinc/32/93/00/382329300.db2.gz ZRDGHMPGIWEDOL-NSHDSACASA-N 1 1 290.298 2.666 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000419353590 382294857 /nfs/dbraw/zinc/29/48/57/382294857.db2.gz LLXLUMGIHCZXSE-GMTAPVOTSA-N 1 1 288.351 2.947 20 5 CFBDMO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000346590402 382426883 /nfs/dbraw/zinc/42/68/83/382426883.db2.gz FBQZXNKGEZHGGD-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000346616790 382439967 /nfs/dbraw/zinc/43/99/67/382439967.db2.gz PFFASESVROSJDN-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CC[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000420415769 382403278 /nfs/dbraw/zinc/40/32/78/382403278.db2.gz VFRKJXDBEFWNDS-WFASDCNBSA-N 1 1 277.368 2.635 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000378162173 382409097 /nfs/dbraw/zinc/40/90/97/382409097.db2.gz RCQGOMUSRQCGCL-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352608818 382414637 /nfs/dbraw/zinc/41/46/37/382414637.db2.gz OUURYFBJSOULQF-WCQYABFASA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CF ZINC000294183100 382449015 /nfs/dbraw/zinc/44/90/15/382449015.db2.gz XAJPWIYNXOOZAB-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CF ZINC000294183100 382449021 /nfs/dbraw/zinc/44/90/21/382449021.db2.gz XAJPWIYNXOOZAB-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346693379 382478063 /nfs/dbraw/zinc/47/80/63/382478063.db2.gz MRZAASLRAXXNNB-PMGBHYCQSA-N 1 1 291.395 2.913 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000346693911 382478279 /nfs/dbraw/zinc/47/82/79/382478279.db2.gz QNAYBJHSTOZEKJ-VURMDHGXSA-N 1 1 277.368 2.525 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]12CCOC2 ZINC000421399978 382518236 /nfs/dbraw/zinc/51/82/36/382518236.db2.gz JDDXKVVFBODUFG-OVHOFWQVSA-N 1 1 288.347 2.863 20 5 CFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791489 382576431 /nfs/dbraw/zinc/57/64/31/382576431.db2.gz NMQVWRXHWXFCGZ-FZMZJTMJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000192454469 382709201 /nfs/dbraw/zinc/70/92/01/382709201.db2.gz KCKJHSDOPCQRTC-JTQLQIEISA-N 1 1 284.385 2.728 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C4CCC3CC4)nc2c1 ZINC000575082478 382726545 /nfs/dbraw/zinc/72/65/45/382726545.db2.gz JGBXDZYMCSUGIO-UHFFFAOYSA-N 1 1 272.308 2.598 20 5 CFBDMO Cc1cc(NCC[NH+]2CCSCC2)c(F)cc1[N+](=O)[O-] ZINC000336832497 382727004 /nfs/dbraw/zinc/72/70/04/382727004.db2.gz FNQAJCOAAUUIHJ-UHFFFAOYSA-N 1 1 299.371 2.503 20 5 CFBDMO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000227889652 382842032 /nfs/dbraw/zinc/84/20/32/382842032.db2.gz GQHBOBPOXZUAEB-QMMMGPOBSA-N 1 1 285.294 2.768 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000441343660 382909111 /nfs/dbraw/zinc/90/91/11/382909111.db2.gz WJXFGGDKQKWRIY-DGCLKSJQSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577579438 382863533 /nfs/dbraw/zinc/86/35/33/382863533.db2.gz MTIQTQWPOUCPFH-HZSPNIEDSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cccc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000337802239 382866254 /nfs/dbraw/zinc/86/62/54/382866254.db2.gz IXNYNCLLZYVBAK-UHFFFAOYSA-N 1 1 271.320 2.977 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231730016 382867232 /nfs/dbraw/zinc/86/72/32/382867232.db2.gz GLRBXRUNCQIJMO-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224403 382972568 /nfs/dbraw/zinc/97/25/68/382972568.db2.gz MLVAWHUOWABFCK-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772555 382979791 /nfs/dbraw/zinc/97/97/91/382979791.db2.gz FZCFHMIGMHPTRC-OLZOCXBDSA-N 1 1 290.363 2.768 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754378 382980239 /nfs/dbraw/zinc/98/02/39/382980239.db2.gz CEAXKFPZDSAUJQ-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000447810023 383009890 /nfs/dbraw/zinc/00/98/90/383009890.db2.gz FSCDYCSKLCDHDJ-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447817075 383011408 /nfs/dbraw/zinc/01/14/08/383011408.db2.gz OGZISLOWAUFEJC-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000338378167 383012399 /nfs/dbraw/zinc/01/23/99/383012399.db2.gz ICYGPLAOONMTMX-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000448355216 383056156 /nfs/dbraw/zinc/05/61/56/383056156.db2.gz MXJJYAFLONVDLS-OAHLLOKOSA-N 1 1 292.379 2.921 20 5 CFBDMO CC[C@@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246252744 383069718 /nfs/dbraw/zinc/06/97/18/383069718.db2.gz PNDRVALWYDRUFF-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO COC[C@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449389922 383258298 /nfs/dbraw/zinc/25/82/98/383258298.db2.gz FBAGHPBUGJPRCY-GFCCVEGCSA-N 1 1 270.354 2.515 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449389922 383258303 /nfs/dbraw/zinc/25/83/03/383258303.db2.gz FBAGHPBUGJPRCY-GFCCVEGCSA-N 1 1 270.354 2.515 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1C ZINC000339617338 383263890 /nfs/dbraw/zinc/26/38/90/383263890.db2.gz RZCOJLJPGGEACO-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1noc(C)c1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000339647823 383273467 /nfs/dbraw/zinc/27/34/67/383273467.db2.gz NJPDZFQXDWXSFO-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1noc(C)c1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000339647823 383273472 /nfs/dbraw/zinc/27/34/72/383273472.db2.gz NJPDZFQXDWXSFO-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449491950 383330719 /nfs/dbraw/zinc/33/07/19/383330719.db2.gz ICPPZQMVMTTZMZ-SWLSCSKDSA-N 1 1 278.352 2.842 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)CO ZINC000449430292 383290216 /nfs/dbraw/zinc/29/02/16/383290216.db2.gz VUXOSIHQHKINNB-MDWZMJQESA-N 1 1 292.379 2.948 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000524619873 383376867 /nfs/dbraw/zinc/37/68/67/383376867.db2.gz MIKORHVDUVQGMA-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000425420919 383378051 /nfs/dbraw/zinc/37/80/51/383378051.db2.gz NDWBGMJVJBQCIL-INIZCTEOSA-N 1 1 290.363 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250791813 383380068 /nfs/dbraw/zinc/38/00/68/383380068.db2.gz SAEPOZRSVAQEKG-MNOVXSKESA-N 1 1 279.315 2.773 20 5 CFBDMO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251338662 383386937 /nfs/dbraw/zinc/38/69/37/383386937.db2.gz PROVUIDREKXPSV-DOMZBBRYSA-N 1 1 279.384 2.961 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567698 383546122 /nfs/dbraw/zinc/54/61/22/383546122.db2.gz YALJLKJSVUSUHJ-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000255719510 383486266 /nfs/dbraw/zinc/48/62/66/383486266.db2.gz GBGJHCOOEOWVIG-XQRVVYSFSA-N 1 1 290.363 2.966 20 5 CFBDMO CC(C)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488098688 383495385 /nfs/dbraw/zinc/49/53/85/383495385.db2.gz WKFZQTIYJISRLY-BBRMVZONSA-N 1 1 291.395 2.928 20 5 CFBDMO CCC(=O)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931644 383555886 /nfs/dbraw/zinc/55/58/86/383555886.db2.gz AYMDJLNZABGWQI-UHFFFAOYSA-N 1 1 278.352 2.828 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451540287 383639089 /nfs/dbraw/zinc/63/90/89/383639089.db2.gz GLLZJGOFQSELNP-NHYWBVRUSA-N 1 1 278.352 2.760 20 5 CFBDMO Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489897995 383641941 /nfs/dbraw/zinc/64/19/41/383641941.db2.gz RDOAXOKIAOIZAD-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548459 383642898 /nfs/dbraw/zinc/64/28/98/383642898.db2.gz NKNNUBLAWCWLEV-GOEBONIOSA-N 1 1 292.379 2.935 20 5 CFBDMO CC1(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000432844030 383750774 /nfs/dbraw/zinc/75/07/74/383750774.db2.gz VGNRXYAKCDDEOH-UHFFFAOYSA-N 1 1 261.325 2.538 20 5 CFBDMO CC1(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000432844030 383750776 /nfs/dbraw/zinc/75/07/76/383750776.db2.gz VGNRXYAKCDDEOH-UHFFFAOYSA-N 1 1 261.325 2.538 20 5 CFBDMO CCOc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1[N+](=O)[O-] ZINC000572961847 383846196 /nfs/dbraw/zinc/84/61/96/383846196.db2.gz MAIQENTUTAWBLL-RYUDHWBXSA-N 1 1 294.376 2.683 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc1[N+](=O)[O-] ZINC000572961847 383846200 /nfs/dbraw/zinc/84/62/00/383846200.db2.gz MAIQENTUTAWBLL-RYUDHWBXSA-N 1 1 294.376 2.683 20 5 CFBDMO Cc1nc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000531599711 383893987 /nfs/dbraw/zinc/89/39/87/383893987.db2.gz DEMHWJYQKJBWKF-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO CCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000532232618 383998786 /nfs/dbraw/zinc/99/87/86/383998786.db2.gz QTVNUTMVSWGXRP-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO COC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266564308 384198491 /nfs/dbraw/zinc/19/84/91/384198491.db2.gz ZCNXVFKUZNSZGK-NEPJUHHUSA-N 1 1 292.335 2.541 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000267075215 384293236 /nfs/dbraw/zinc/29/32/36/384293236.db2.gz WURBBBCBICGTIF-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO CC(C)[N@@H+](CCC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267461092 384396420 /nfs/dbraw/zinc/39/64/20/384396420.db2.gz SXPSLAXEUQIPDT-UHFFFAOYSA-N 1 1 280.368 2.966 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000277778881 384403167 /nfs/dbraw/zinc/40/31/67/384403167.db2.gz NQOGSYDDKJDDON-OAHLLOKOSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289383848 197322712 /nfs/dbraw/zinc/32/27/12/197322712.db2.gz CXQDHFAMAIIRTO-NSHDSACASA-N 1 1 290.319 2.667 20 5 CFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268287077 384591874 /nfs/dbraw/zinc/59/18/74/384591874.db2.gz AQZKHFGCKABSMC-UHFFFAOYSA-N 1 1 284.381 2.639 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000279444285 384640286 /nfs/dbraw/zinc/64/02/86/384640286.db2.gz YWGPRKWMTVYCEC-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843029 384880005 /nfs/dbraw/zinc/88/00/05/384880005.db2.gz RUHIHWLOOCOUFB-ZYHUDNBSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000280271570 384955156 /nfs/dbraw/zinc/95/51/56/384955156.db2.gz CTSVZMKQDDDJRG-JTQLQIEISA-N 1 1 284.381 2.639 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000280707562 385122710 /nfs/dbraw/zinc/12/27/10/385122710.db2.gz WWPUDXAYGAGRFP-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000280707560 385122808 /nfs/dbraw/zinc/12/28/08/385122808.db2.gz WWPUDXAYGAGRFP-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000270589487 385156587 /nfs/dbraw/zinc/15/65/87/385156587.db2.gz DXRFWJWFUNIVDY-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000270589487 385156589 /nfs/dbraw/zinc/15/65/89/385156589.db2.gz DXRFWJWFUNIVDY-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N1CCC[N@H+](C2CC2)CC1 ZINC000368389548 285154909 /nfs/dbraw/zinc/15/49/09/285154909.db2.gz XKAKQODSRFQVLF-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270761824 385215280 /nfs/dbraw/zinc/21/52/80/385215280.db2.gz XYVOQIOCTYIVSM-NSHDSACASA-N 1 1 266.341 2.749 20 5 CFBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270761821 385216528 /nfs/dbraw/zinc/21/65/28/385216528.db2.gz XYVOQIOCTYIVSM-LLVKDONJSA-N 1 1 266.341 2.749 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000301992509 285170364 /nfs/dbraw/zinc/17/03/64/285170364.db2.gz NWAKTDFYDRSMIH-NXEZZACHSA-N 1 1 267.354 2.695 20 5 CFBDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n(C)n1 ZINC000284109377 385536322 /nfs/dbraw/zinc/53/63/22/385536322.db2.gz WUPNBHAXTXYCEO-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272365742 385519780 /nfs/dbraw/zinc/51/97/80/385519780.db2.gz SWRYJTGPQACFLO-HIFRSBDPSA-N 1 1 292.379 2.824 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000288819471 197172512 /nfs/dbraw/zinc/17/25/12/197172512.db2.gz MZVCJQOVNGPRHH-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288564594 197113572 /nfs/dbraw/zinc/11/35/72/197113572.db2.gz ASRTZYWESPZYLX-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288564594 197113574 /nfs/dbraw/zinc/11/35/74/197113574.db2.gz ASRTZYWESPZYLX-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@H+]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877572 130104155 /nfs/dbraw/zinc/10/41/55/130104155.db2.gz PFDFNTLUQLZKQW-OBJOEFQTSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877572 130104157 /nfs/dbraw/zinc/10/41/57/130104157.db2.gz PFDFNTLUQLZKQW-OBJOEFQTSA-N 1 1 277.368 2.586 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342032563 130248171 /nfs/dbraw/zinc/24/81/71/130248171.db2.gz MPONQCPOQFVRKO-CQSZACIVSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@H]1CCSCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191812302 130308133 /nfs/dbraw/zinc/30/81/33/130308133.db2.gz BDDWBIUCZQDMJH-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192169919 130386014 /nfs/dbraw/zinc/38/60/14/130386014.db2.gz XQJWXHLAFYTGIR-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248367199 131114466 /nfs/dbraw/zinc/11/44/66/131114466.db2.gz TUKLRUZXSIWZEA-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C1 ZINC000263708972 131313279 /nfs/dbraw/zinc/31/32/79/131313279.db2.gz MSHYLZWVSFPLCP-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccnc(NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265291912 131573314 /nfs/dbraw/zinc/57/33/14/131573314.db2.gz XZYZKVMLJNSNEW-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177913325 413054044 /nfs/dbraw/zinc/05/40/44/413054044.db2.gz FXNPNDRCBFOKOO-WDEREUQCSA-N 1 1 292.335 2.692 20 5 CFBDMO COc1ccc(C[NH2+][C@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000268877725 132081502 /nfs/dbraw/zinc/08/15/02/132081502.db2.gz ZDJTVIOAIXQJTQ-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000378269786 393544271 /nfs/dbraw/zinc/54/42/71/393544271.db2.gz ISVKDKSVYGJIIG-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000375345009 393507577 /nfs/dbraw/zinc/50/75/77/393507577.db2.gz KAIIJWWRLVOUNY-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045628 393560270 /nfs/dbraw/zinc/56/02/70/393560270.db2.gz LPABCJZBNQPZGV-MNOVXSKESA-N 1 1 292.335 2.692 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000411682636 393738144 /nfs/dbraw/zinc/73/81/44/393738144.db2.gz GDXFGQZHTPKZJU-CYBMUJFWSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000084726446 393750016 /nfs/dbraw/zinc/75/00/16/393750016.db2.gz FYKBLZCXLDYSTE-TZMCWYRMSA-N 1 1 275.352 2.942 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214571 393686362 /nfs/dbraw/zinc/68/63/62/393686362.db2.gz GAKPLSRPJWFMKN-ZDUSSCGKSA-N 1 1 291.351 2.798 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000227052946 393771750 /nfs/dbraw/zinc/77/17/50/393771750.db2.gz MDRYQDIQLJJSHN-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCC[C@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245610400 393818549 /nfs/dbraw/zinc/81/85/49/393818549.db2.gz BACGSCCETAHBIW-QWHCGFSZSA-N 1 1 292.383 2.912 20 5 CFBDMO CO[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118961660 393912788 /nfs/dbraw/zinc/91/27/88/393912788.db2.gz YFCKYUSNWHHMFI-JTQLQIEISA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118961660 393912792 /nfs/dbraw/zinc/91/27/92/393912792.db2.gz YFCKYUSNWHHMFI-JTQLQIEISA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118961560 393912863 /nfs/dbraw/zinc/91/28/63/393912863.db2.gz YFCKYUSNWHHMFI-SNVBAGLBSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118961560 393912869 /nfs/dbraw/zinc/91/28/69/393912869.db2.gz YFCKYUSNWHHMFI-SNVBAGLBSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687801 393861705 /nfs/dbraw/zinc/86/17/05/393861705.db2.gz BCLYYILFDFVDPU-JTQLQIEISA-N 1 1 280.324 2.692 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119498165 393920261 /nfs/dbraw/zinc/92/02/61/393920261.db2.gz MIFMGGYGCARDRE-QWRGUYRKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119498165 393920267 /nfs/dbraw/zinc/92/02/67/393920267.db2.gz MIFMGGYGCARDRE-QWRGUYRKSA-N 1 1 298.770 2.984 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1CC1 ZINC000430211234 393968974 /nfs/dbraw/zinc/96/89/74/393968974.db2.gz XDVVTFWGPCYWDA-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265853681 393977423 /nfs/dbraw/zinc/97/74/23/393977423.db2.gz IQTZCDKASDNHHK-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO CC(C)[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269666790 394005169 /nfs/dbraw/zinc/00/51/69/394005169.db2.gz WAEBOZLJLAJGSB-UHFFFAOYSA-N 1 1 299.321 2.794 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000439094999 394098483 /nfs/dbraw/zinc/09/84/83/394098483.db2.gz JWLUIBRRBRUZSU-CQSZACIVSA-N 1 1 292.383 2.912 20 5 CFBDMO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000286012936 394179501 /nfs/dbraw/zinc/17/95/01/394179501.db2.gz FDNGOYJIIMUGCQ-VXGBXAGGSA-N 1 1 292.383 2.709 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132113614 394147410 /nfs/dbraw/zinc/14/74/10/394147410.db2.gz CANPSVPJJIBNLU-CYBMUJFWSA-N 1 1 278.352 2.939 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421040992 394167864 /nfs/dbraw/zinc/16/78/64/394167864.db2.gz OEFCDAKCAYQCNG-ZDUSSCGKSA-N 1 1 278.352 2.579 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289689792 394221347 /nfs/dbraw/zinc/22/13/47/394221347.db2.gz IBPZCYFVCLHUJA-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289689792 394221349 /nfs/dbraw/zinc/22/13/49/394221349.db2.gz IBPZCYFVCLHUJA-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000136839137 394236209 /nfs/dbraw/zinc/23/62/09/394236209.db2.gz BVIQPIQDFFKLTR-ZDSVCRJJSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158174645 394354999 /nfs/dbraw/zinc/35/49/99/394354999.db2.gz DKERQGRKQQGHCD-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000158174645 394355004 /nfs/dbraw/zinc/35/50/04/394355004.db2.gz DKERQGRKQQGHCD-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308760 394369721 /nfs/dbraw/zinc/36/97/21/394369721.db2.gz UJIRTFZIOFBGBM-SGMGOOAPSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308760 394369723 /nfs/dbraw/zinc/36/97/23/394369723.db2.gz UJIRTFZIOFBGBM-SGMGOOAPSA-N 1 1 289.379 2.871 20 5 CFBDMO Cc1ccc([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176210327 394381258 /nfs/dbraw/zinc/38/12/58/394381258.db2.gz LUTGXIKSPXMTLV-CYBMUJFWSA-N 1 1 288.351 2.793 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000535851018 394548763 /nfs/dbraw/zinc/54/87/63/394548763.db2.gz ABANWJVJWLPWID-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000556083105 394989243 /nfs/dbraw/zinc/98/92/43/394989243.db2.gz IPAMSGQZACYLRB-GFCCVEGCSA-N 1 1 277.368 2.682 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000575600594 395091270 /nfs/dbraw/zinc/09/12/70/395091270.db2.gz XLVMVKBRWCYCTM-CQSZACIVSA-N 1 1 291.395 2.723 20 5 CFBDMO CC(C)C[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903123 155132560 /nfs/dbraw/zinc/13/25/60/155132560.db2.gz CHXOFKAQCSIPHQ-OLZOCXBDSA-N 1 1 292.383 2.911 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cncc2C1 ZINC000356279089 155207364 /nfs/dbraw/zinc/20/73/64/155207364.db2.gz IRDSMTLEVRSUTD-NTUHNPAUSA-N 1 1 298.346 2.710 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cncc2C1 ZINC000356279089 155207369 /nfs/dbraw/zinc/20/73/69/155207369.db2.gz IRDSMTLEVRSUTD-NTUHNPAUSA-N 1 1 298.346 2.710 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000348166158 154346390 /nfs/dbraw/zinc/34/63/90/154346390.db2.gz FUMRVZFHERPPDG-OLZOCXBDSA-N 1 1 292.383 2.607 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348183429 154352132 /nfs/dbraw/zinc/35/21/32/154352132.db2.gz ZAPWQRYGKCEDRT-HNNXBMFYSA-N 1 1 289.379 2.572 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354354981 154685301 /nfs/dbraw/zinc/68/53/01/154685301.db2.gz SHIBQLXPVDFYIN-STQMWFEESA-N 1 1 277.368 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367065817 156275247 /nfs/dbraw/zinc/27/52/47/156275247.db2.gz HDUDFPOLYFDQBH-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO C[C@@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375243598 157210537 /nfs/dbraw/zinc/21/05/37/157210537.db2.gz ZJKMTPRRWYSDTN-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC000375325505 157228228 /nfs/dbraw/zinc/22/82/28/157228228.db2.gz DZZHFRPPKOWDCT-OAHLLOKOSA-N 1 1 276.336 2.658 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000375326812 157228570 /nfs/dbraw/zinc/22/85/70/157228570.db2.gz MHOFVWAVRRFVKV-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000375326812 157228575 /nfs/dbraw/zinc/22/85/75/157228575.db2.gz MHOFVWAVRRFVKV-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375801581 157287318 /nfs/dbraw/zinc/28/73/18/157287318.db2.gz LYOURIGMBOJKPL-JYJNAYRXSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375801581 157287320 /nfs/dbraw/zinc/28/73/20/157287320.db2.gz LYOURIGMBOJKPL-JYJNAYRXSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000344423450 162040315 /nfs/dbraw/zinc/04/03/15/162040315.db2.gz RTVDMRSPQPMKGY-UHFFFAOYSA-N 1 1 278.356 2.666 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000345102376 162179802 /nfs/dbraw/zinc/17/98/02/162179802.db2.gz ZXAFSAMNVBMNEF-UHFFFAOYSA-N 1 1 260.293 2.862 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)cs1 ZINC000353021885 163287667 /nfs/dbraw/zinc/28/76/67/163287667.db2.gz KTOXNFRAVVVPJK-QMMMGPOBSA-N 1 1 292.307 2.717 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](COC(F)F)C2)cs1 ZINC000353021885 163287669 /nfs/dbraw/zinc/28/76/69/163287669.db2.gz KTOXNFRAVVVPJK-QMMMGPOBSA-N 1 1 292.307 2.717 20 5 CFBDMO Cn1ccnc1[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353040944 163294496 /nfs/dbraw/zinc/29/44/96/163294496.db2.gz WFJMYBUHUVQSPB-AWEZNQCLSA-N 1 1 286.335 2.569 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000284297216 196024239 /nfs/dbraw/zinc/02/42/39/196024239.db2.gz RLDYDDIRTDXFHU-LLVKDONJSA-N 1 1 281.381 2.956 20 5 CFBDMO CC(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000020200970 171064637 /nfs/dbraw/zinc/06/46/37/171064637.db2.gz POHFPGDPSNMYFI-MRXNPFEDSA-N 1 1 291.395 2.805 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000284753904 196124588 /nfs/dbraw/zinc/12/45/88/196124588.db2.gz LPVKBYODRSUPFP-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000037539302 173260031 /nfs/dbraw/zinc/26/00/31/173260031.db2.gz SRZQLNQIRIVBNO-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1ccc(CNC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000038028991 174018537 /nfs/dbraw/zinc/01/85/37/174018537.db2.gz AYOUDRVWILBSSZ-AWEZNQCLSA-N 1 1 291.395 2.867 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040437578 174262745 /nfs/dbraw/zinc/26/27/45/174262745.db2.gz FBSZMSPIUUGFJE-UHFFFAOYSA-N 1 1 286.287 2.613 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040623935 174355394 /nfs/dbraw/zinc/35/53/94/174355394.db2.gz XPBZFLPULRPYCX-NSHDSACASA-N 1 1 281.331 2.876 20 5 CFBDMO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000040676176 174373759 /nfs/dbraw/zinc/37/37/59/174373759.db2.gz FFCBXRIYIDJCEM-UHFFFAOYSA-N 1 1 272.308 2.656 20 5 CFBDMO C[N@H+]1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044534073 175197936 /nfs/dbraw/zinc/19/79/36/175197936.db2.gz XHCQMNBRSUUJNB-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533985 175198053 /nfs/dbraw/zinc/19/80/53/175198053.db2.gz RDRTUFWWYROPOS-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533985 175198057 /nfs/dbraw/zinc/19/80/57/175198057.db2.gz RDRTUFWWYROPOS-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000044537741 175199547 /nfs/dbraw/zinc/19/95/47/175199547.db2.gz UYYWRTZAGDXIJF-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000077897108 177307586 /nfs/dbraw/zinc/30/75/86/177307586.db2.gz VFMIZLJLWAALAG-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO COCCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000397370536 270317885 /nfs/dbraw/zinc/31/78/85/270317885.db2.gz QNAFOPKYFBMWTP-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423216086 275037868 /nfs/dbraw/zinc/03/78/68/275037868.db2.gz RKMLPDPEDSTABE-WBMJQRKESA-N 1 1 289.379 2.561 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000225997940 275039387 /nfs/dbraw/zinc/03/93/87/275039387.db2.gz LMBHRYDCUTUZLT-INIZCTEOSA-N 1 1 284.315 2.956 20 5 CFBDMO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000316939603 275041843 /nfs/dbraw/zinc/04/18/43/275041843.db2.gz AZJJBMLDSVZGAJ-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000346166010 276242070 /nfs/dbraw/zinc/24/20/70/276242070.db2.gz ARKYBXPSDICJLX-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO CSC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000347780075 278124302 /nfs/dbraw/zinc/12/43/02/278124302.db2.gz KWOVFYZGOVNREV-UHFFFAOYSA-N 1 1 278.377 2.849 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000135457610 278140078 /nfs/dbraw/zinc/14/00/78/278140078.db2.gz NOXKCCWEDOKTGX-GFCCVEGCSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459799153 278379094 /nfs/dbraw/zinc/37/90/94/278379094.db2.gz VAIVBRRFPCCXIU-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247407929 281011111 /nfs/dbraw/zinc/01/11/11/281011111.db2.gz CADQYSHSJIYTRT-NWDGAFQWSA-N 1 1 293.367 2.900 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249633681 281064646 /nfs/dbraw/zinc/06/46/46/281064646.db2.gz VYUAEDDOEACNJI-UWVGGRQHSA-N 1 1 284.385 2.584 20 5 CFBDMO C[N@H+](CCc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289582676 281134653 /nfs/dbraw/zinc/13/46/53/281134653.db2.gz HMUQYDBPPURKAQ-UHFFFAOYSA-N 1 1 294.742 2.646 20 5 CFBDMO C[N@@H+](CCc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289582676 281134657 /nfs/dbraw/zinc/13/46/57/281134657.db2.gz HMUQYDBPPURKAQ-UHFFFAOYSA-N 1 1 294.742 2.646 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296259598 281142399 /nfs/dbraw/zinc/14/23/99/281142399.db2.gz LUBPFICKPPMKGT-GFCCVEGCSA-N 1 1 266.366 2.841 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000526989510 281322438 /nfs/dbraw/zinc/32/24/38/281322438.db2.gz MJDKUNWMZSNEQS-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000526989510 281322440 /nfs/dbraw/zinc/32/24/40/281322440.db2.gz MJDKUNWMZSNEQS-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000559096870 282001257 /nfs/dbraw/zinc/00/12/57/282001257.db2.gz DDHHTHMJBMVFGC-FHMRSRPSSA-N 1 1 298.289 2.922 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000559096870 282001259 /nfs/dbraw/zinc/00/12/59/282001259.db2.gz DDHHTHMJBMVFGC-FHMRSRPSSA-N 1 1 298.289 2.922 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccco1 ZINC000563820349 290176959 /nfs/dbraw/zinc/17/69/59/290176959.db2.gz FXPGESDILDVFGJ-CYBMUJFWSA-N 1 1 258.277 2.965 20 5 CFBDMO Cc1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000565218811 290283774 /nfs/dbraw/zinc/28/37/74/290283774.db2.gz PEANHDCIYHCQQQ-CYBMUJFWSA-N 1 1 273.292 2.668 20 5 CFBDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214122 290358491 /nfs/dbraw/zinc/35/84/91/290358491.db2.gz DOWULOFUTQBTPN-VXGBXAGGSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214122 290358493 /nfs/dbraw/zinc/35/84/93/290358493.db2.gz DOWULOFUTQBTPN-VXGBXAGGSA-N 1 1 296.392 2.720 20 5 CFBDMO CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474191 290390601 /nfs/dbraw/zinc/39/06/01/290390601.db2.gz FPYQCQRQTWTXPF-OAHLLOKOSA-N 1 1 289.379 2.656 20 5 CFBDMO C[NH+](C)[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735761 325230494 /nfs/dbraw/zinc/23/04/94/325230494.db2.gz NNVICQPJCWUOPI-GDBMZVCRSA-N 1 1 289.379 2.512 20 5 CFBDMO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253601 533896990 /nfs/dbraw/zinc/89/69/90/533896990.db2.gz ZCEWJQRILJYFBI-LRDDRELGSA-N 1 1 285.347 2.945 20 5 CFBDMO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245284 533898378 /nfs/dbraw/zinc/89/83/78/533898378.db2.gz OLQWOYHBAFKBKV-LRDDRELGSA-N 1 1 285.347 2.945 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652957 519835923 /nfs/dbraw/zinc/83/59/23/519835923.db2.gz HCRIOXQCPUBKSU-JSGCOSHPSA-N 1 1 292.379 2.778 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114892 519854763 /nfs/dbraw/zinc/85/47/63/519854763.db2.gz CRBBHUFYPMQQTD-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114892 519854764 /nfs/dbraw/zinc/85/47/64/519854764.db2.gz CRBBHUFYPMQQTD-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO CCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458485 519910919 /nfs/dbraw/zinc/91/09/19/519910919.db2.gz NLMVXFXYRDKARR-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000195527273 520360215 /nfs/dbraw/zinc/36/02/15/520360215.db2.gz CMVICRVUIFDZFX-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000068853418 520536105 /nfs/dbraw/zinc/53/61/05/520536105.db2.gz QEPOMGLHAMRBJE-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458494 520677939 /nfs/dbraw/zinc/67/79/39/520677939.db2.gz HMUPDEVRQAMRPN-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000070015395 521149996 /nfs/dbraw/zinc/14/99/96/521149996.db2.gz YDDLMALNLKYKRY-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000063755612 521485184 /nfs/dbraw/zinc/48/51/84/521485184.db2.gz BFEDKAOPLXRWIL-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480551 521514462 /nfs/dbraw/zinc/51/44/62/521514462.db2.gz BOSMVGTUZHLPLV-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO CCN1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248641 521562717 /nfs/dbraw/zinc/56/27/17/521562717.db2.gz BIRPNMKEUOCELQ-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO CC[NH+]1CCC(N(C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248641 521562740 /nfs/dbraw/zinc/56/27/40/521562740.db2.gz BIRPNMKEUOCELQ-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000357563412 522940670 /nfs/dbraw/zinc/94/06/70/522940670.db2.gz IIZJUCUAMOBQCL-LBPRGKRZSA-N 1 1 295.383 2.882 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340690262 523108175 /nfs/dbraw/zinc/10/81/75/523108175.db2.gz KLVWHNWLVOXOKO-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340690818 523267304 /nfs/dbraw/zinc/26/73/04/523267304.db2.gz MSTPHNRRJYRXTK-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313457114 523288822 /nfs/dbraw/zinc/28/88/22/523288822.db2.gz CTUNHXPRQWLKCZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313457114 523288835 /nfs/dbraw/zinc/28/88/35/523288835.db2.gz CTUNHXPRQWLKCZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000339434092 523835905 /nfs/dbraw/zinc/83/59/05/523835905.db2.gz PQGLTAWLANNMMT-CQSZACIVSA-N 1 1 295.408 2.574 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000061555326 524037023 /nfs/dbraw/zinc/03/70/23/524037023.db2.gz NYYOBPBZQTXQFP-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000335175771 524478334 /nfs/dbraw/zinc/47/83/34/524478334.db2.gz YTVOOLMOAPCIRB-RYUDHWBXSA-N 1 1 264.350 2.593 20 5 CFBDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000335175771 524478340 /nfs/dbraw/zinc/47/83/40/524478340.db2.gz YTVOOLMOAPCIRB-RYUDHWBXSA-N 1 1 264.350 2.593 20 5 CFBDMO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000361155518 524918955 /nfs/dbraw/zinc/91/89/55/524918955.db2.gz UJNUEFITCQXQMN-RNUUNTDPSA-N 1 1 289.379 2.632 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H](CO)C2)ccc1Cl ZINC000360876203 527329081 /nfs/dbraw/zinc/32/90/81/527329081.db2.gz ZDBAPKYZHZVVKI-GFCCVEGCSA-N 1 1 298.770 2.843 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000363427747 527489198 /nfs/dbraw/zinc/48/91/98/527489198.db2.gz YTCUNKSRVSBSJZ-UHFFFAOYSA-N 1 1 292.383 2.875 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000425989118 527502301 /nfs/dbraw/zinc/50/23/01/527502301.db2.gz JDSIVZRRRLRQDS-MKGJVGOLSA-N 1 1 290.363 2.701 20 5 CFBDMO CCC[C@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423335670 528215021 /nfs/dbraw/zinc/21/50/21/528215021.db2.gz UBTAYPAZKMEGAM-LBPRGKRZSA-N 1 1 287.310 2.620 20 5 CFBDMO CCCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173454039 528348676 /nfs/dbraw/zinc/34/86/76/528348676.db2.gz JBIUTXWJVPVOIJ-UHFFFAOYSA-N 1 1 282.340 2.714 20 5 CFBDMO CCCC[C@@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811093 528818941 /nfs/dbraw/zinc/81/89/41/528818941.db2.gz IVBHJWSICJPSKC-QPBFKRLHSA-N 1 1 277.368 2.715 20 5 CFBDMO CC(C)(O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269086381 535283489 /nfs/dbraw/zinc/28/34/89/535283489.db2.gz IGLRPMXCSGOIFE-UHFFFAOYSA-N 1 1 278.352 2.720 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000444759560 535767597 /nfs/dbraw/zinc/76/75/97/535767597.db2.gz GNKURDCDSVIVDN-MRXNPFEDSA-N 1 1 292.379 2.764 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cncs1 ZINC000268901344 536956114 /nfs/dbraw/zinc/95/61/14/536956114.db2.gz MICMIGMPKREUPQ-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755919141 574197785 /nfs/dbraw/zinc/19/77/85/574197785.db2.gz HYMCWIYMGINPFE-ZDUSSCGKSA-N 1 1 288.351 2.880 20 5 CFBDMO NC(CC1CC1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747836741 574215007 /nfs/dbraw/zinc/21/50/07/574215007.db2.gz ZKOKUPWYZNUJRK-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO CC[N@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207136 574319076 /nfs/dbraw/zinc/31/90/76/574319076.db2.gz QZRJCOPCAIBAOS-DZGCQCFKSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207136 574319080 /nfs/dbraw/zinc/31/90/80/574319080.db2.gz QZRJCOPCAIBAOS-DZGCQCFKSA-N 1 1 291.395 2.723 20 5 CFBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000750093814 574324166 /nfs/dbraw/zinc/32/41/66/574324166.db2.gz VGSKYZVTQXDZBN-HNNXBMFYSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])s2)[nH+]1 ZINC000750172007 574329140 /nfs/dbraw/zinc/32/91/40/574329140.db2.gz UQXXVWVOHQPPKD-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO CCC[N@@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000750602983 574349132 /nfs/dbraw/zinc/34/91/32/574349132.db2.gz KCAPEJAEGCEUEF-UHFFFAOYSA-N 1 1 262.313 2.634 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCO[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000932338799 617662538 /nfs/dbraw/zinc/66/25/38/617662538.db2.gz GSUCFGURXHUDDP-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCO[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000932338799 617662541 /nfs/dbraw/zinc/66/25/41/617662541.db2.gz GSUCFGURXHUDDP-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CN(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308636669 617715222 /nfs/dbraw/zinc/71/52/22/617715222.db2.gz NOCLAUWUPZFZOZ-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820869 617824460 /nfs/dbraw/zinc/82/44/60/617824460.db2.gz WYPWJCUEKXGLSY-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820869 617824463 /nfs/dbraw/zinc/82/44/63/617824463.db2.gz WYPWJCUEKXGLSY-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934303837 617992981 /nfs/dbraw/zinc/99/29/81/617992981.db2.gz OPWHZYROPIWLAI-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000934775403 618128148 /nfs/dbraw/zinc/12/81/48/618128148.db2.gz KBMPHWIYYCVBKG-OCCSQVGLSA-N 1 1 278.377 2.780 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000895114557 618316514 /nfs/dbraw/zinc/31/65/14/618316514.db2.gz CURZWCVYVOJFFA-UHFFFAOYSA-N 1 1 268.313 2.539 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000894149874 618400064 /nfs/dbraw/zinc/40/00/64/618400064.db2.gz WFFMRRKAZYKKLO-NSHDSACASA-N 1 1 296.754 2.717 20 5 CFBDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931257385 618472304 /nfs/dbraw/zinc/47/23/04/618472304.db2.gz DAJPFYOQWMIJMB-ZDUSSCGKSA-N 1 1 266.316 2.670 20 5 CFBDMO C[C@@H](N)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516134 618855249 /nfs/dbraw/zinc/85/52/49/618855249.db2.gz VOZQLPZZYGCFQW-CXAGYDPISA-N 1 1 299.374 2.815 20 5 CFBDMO CC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582028 618931012 /nfs/dbraw/zinc/93/10/12/618931012.db2.gz OPFIKUIUKYPZCY-JSGCOSHPSA-N 1 1 264.325 2.503 20 5 CFBDMO CCCc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070424174 625314678 /nfs/dbraw/zinc/31/46/78/625314678.db2.gz WAAINGGWHURLFT-UHFFFAOYSA-N 1 1 263.272 2.931 20 5 CFBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841694946 619168841 /nfs/dbraw/zinc/16/88/41/619168841.db2.gz YRGYRWYEAITYCN-STQMWFEESA-N 1 1 280.372 2.895 20 5 CFBDMO C[N@H+]1C[C@@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894796899 619468600 /nfs/dbraw/zinc/46/86/00/619468600.db2.gz HDFLJPPMTWFAJA-GASCZTMLSA-N 1 1 293.342 2.512 20 5 CFBDMO C[N@H+]1C[C@@]2(C)CN(c3c(F)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894801917 619469902 /nfs/dbraw/zinc/46/99/02/619469902.db2.gz KQAGJMVSPSHLRD-GASCZTMLSA-N 1 1 293.342 2.512 20 5 CFBDMO C[C@@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000895739071 619593492 /nfs/dbraw/zinc/59/34/92/619593492.db2.gz AUGGPRBHLCQMGR-SCZZXKLOSA-N 1 1 292.364 2.709 20 5 CFBDMO Cc1cc(NC[C@@H]2CC[N@@H+]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000895769345 619602589 /nfs/dbraw/zinc/60/25/89/619602589.db2.gz BUQFOPDAVLDFHW-NSHDSACASA-N 1 1 286.335 2.567 20 5 CFBDMO COCC1C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895971289 619646543 /nfs/dbraw/zinc/64/65/43/619646543.db2.gz LFXYHUZNNOLNSI-UHFFFAOYSA-N 1 1 278.352 2.796 20 5 CFBDMO N[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333899 619843405 /nfs/dbraw/zinc/84/34/05/619843405.db2.gz SSDCJNVNYUOZGR-DLBZAZTESA-N 1 1 297.358 2.872 20 5 CFBDMO [NH3+][C@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000262333899 619843411 /nfs/dbraw/zinc/84/34/11/619843411.db2.gz SSDCJNVNYUOZGR-DLBZAZTESA-N 1 1 297.358 2.872 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832605644 625424258 /nfs/dbraw/zinc/42/42/58/625424258.db2.gz IISPEYILYSHTOZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832605644 625424261 /nfs/dbraw/zinc/42/42/61/625424261.db2.gz IISPEYILYSHTOZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)c1 ZINC000899912916 620612606 /nfs/dbraw/zinc/61/26/06/620612606.db2.gz SWMMRSQFVBKBEX-HZPDHXFCSA-N 1 1 290.363 2.893 20 5 CFBDMO CCn1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000902653885 621144744 /nfs/dbraw/zinc/14/47/44/621144744.db2.gz SQJWKDKKSVENQW-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902978780 621216568 /nfs/dbraw/zinc/21/65/68/621216568.db2.gz DPJJHSOTMJEJBH-CYBMUJFWSA-N 1 1 295.314 2.545 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902978780 621216570 /nfs/dbraw/zinc/21/65/70/621216570.db2.gz DPJJHSOTMJEJBH-CYBMUJFWSA-N 1 1 295.314 2.545 20 5 CFBDMO CC(C)c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903965124 621496199 /nfs/dbraw/zinc/49/61/99/621496199.db2.gz WHCPOVOVUXUYQE-OCCSQVGLSA-N 1 1 291.395 2.663 20 5 CFBDMO O=[N+]([O-])CC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000905420221 621764697 /nfs/dbraw/zinc/76/46/97/621764697.db2.gz QTMWYOAOSPASRI-UHFFFAOYSA-N 1 1 299.124 2.562 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116119 622997773 /nfs/dbraw/zinc/99/77/73/622997773.db2.gz NSWIAUXZTRSCDL-SCRDCRAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116119 622997775 /nfs/dbraw/zinc/99/77/75/622997775.db2.gz NSWIAUXZTRSCDL-SCRDCRAPSA-N 1 1 277.368 2.728 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156658 623265732 /nfs/dbraw/zinc/26/57/32/623265732.db2.gz RDSLBJCXQUYKKC-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261393 623268756 /nfs/dbraw/zinc/26/87/56/623268756.db2.gz XDZICSVLFVCVLG-AWEZNQCLSA-N 1 1 282.315 2.735 20 5 CFBDMO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000172350390 623277730 /nfs/dbraw/zinc/27/77/30/623277730.db2.gz NBRKGMRXSPDCFK-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000172850568 623312420 /nfs/dbraw/zinc/31/24/20/623312420.db2.gz UPIXHYQWBYDWQR-RISCZKNCSA-N 1 1 295.358 2.648 20 5 CFBDMO CCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172894229 623315929 /nfs/dbraw/zinc/31/59/29/623315929.db2.gz NVGDRXDPHKUHFI-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173440637 623350085 /nfs/dbraw/zinc/35/00/85/623350085.db2.gz OICVZYZERPMNQX-UHFFFAOYSA-N 1 1 278.356 2.632 20 5 CFBDMO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173440637 623350096 /nfs/dbraw/zinc/35/00/96/623350096.db2.gz OICVZYZERPMNQX-UHFFFAOYSA-N 1 1 278.356 2.632 20 5 CFBDMO Cc1nn(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000089231907 623674931 /nfs/dbraw/zinc/67/49/31/623674931.db2.gz ZUVFARHBKOVLNR-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CCCO)C2)ccc1Cl ZINC000825336959 623675829 /nfs/dbraw/zinc/67/58/29/623675829.db2.gz BDVMBCNHZCDVAM-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252181579 623859329 /nfs/dbraw/zinc/85/93/29/623859329.db2.gz SYLXFDFNAHACKO-TYNCELHUSA-N 1 1 278.352 2.606 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827279990 623980198 /nfs/dbraw/zinc/98/01/98/623980198.db2.gz CNSVKIJWEUNTCK-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1OCC[C@H]1CCCC[N@H+]1C ZINC000915667924 624093765 /nfs/dbraw/zinc/09/37/65/624093765.db2.gz YHXPWOFVIJRHOH-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO C[N@H+]1CCC[C@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000917419169 624339695 /nfs/dbraw/zinc/33/96/95/624339695.db2.gz KHWPFVDGEPYSBZ-HNNXBMFYSA-N 1 1 286.335 2.553 20 5 CFBDMO C[N@@H+](CCC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829937139 624585901 /nfs/dbraw/zinc/58/59/01/624585901.db2.gz HQIJXABMIURZLM-CQSZACIVSA-N 1 1 280.368 2.996 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000830546486 624776992 /nfs/dbraw/zinc/77/69/92/624776992.db2.gz ZBYNGLWAQJXWMN-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000174950593 624915696 /nfs/dbraw/zinc/91/56/96/624915696.db2.gz UALZFVDYFRZRJA-WDEREUQCSA-N 1 1 274.324 2.632 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068449967 624999337 /nfs/dbraw/zinc/99/93/37/624999337.db2.gz GPGCHCCDGXYSEO-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527670 625042197 /nfs/dbraw/zinc/04/21/97/625042197.db2.gz GRRHHZPBEXGWEA-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831533857 625044433 /nfs/dbraw/zinc/04/44/33/625044433.db2.gz LCHQRTRLPSOOSZ-CQSZACIVSA-N 1 1 276.336 2.753 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000831539881 625048005 /nfs/dbraw/zinc/04/80/05/625048005.db2.gz ZYJUJHXMLCTYQN-LBPRGKRZSA-N 1 1 252.289 2.744 20 5 CFBDMO COc1ccc(C[N@@H+](CC[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000929333124 626406621 /nfs/dbraw/zinc/40/66/21/626406621.db2.gz VWLMBBVHQJPWEO-LBPRGKRZSA-N 1 1 278.352 2.572 20 5 CFBDMO CCc1onc(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922987444 626439898 /nfs/dbraw/zinc/43/98/98/626439898.db2.gz JENFNASGADVZBZ-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000749321203 626540651 /nfs/dbraw/zinc/54/06/51/626540651.db2.gz GZTQXTKCTNASNT-VIFPVBQESA-N 1 1 285.294 2.769 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669293 626551664 /nfs/dbraw/zinc/55/16/64/626551664.db2.gz NPVKDCWFPNFDMC-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669293 626551665 /nfs/dbraw/zinc/55/16/65/626551665.db2.gz NPVKDCWFPNFDMC-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761096327 626803325 /nfs/dbraw/zinc/80/33/25/626803325.db2.gz RDOZVOOBZUEXMD-GZMMTYOYSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761096327 626803327 /nfs/dbraw/zinc/80/33/27/626803327.db2.gz RDOZVOOBZUEXMD-GZMMTYOYSA-N 1 1 252.701 2.842 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289359 626821851 /nfs/dbraw/zinc/82/18/51/626821851.db2.gz GJODUITUYTXYBN-JTQLQIEISA-N 1 1 274.324 2.552 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000851805485 634540036 /nfs/dbraw/zinc/54/00/36/634540036.db2.gz CAWVXFNRTWNKQG-CYBMUJFWSA-N 1 1 287.319 2.708 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000851805485 634540040 /nfs/dbraw/zinc/54/00/40/634540040.db2.gz CAWVXFNRTWNKQG-CYBMUJFWSA-N 1 1 287.319 2.708 20 5 CFBDMO COC(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000851816420 634545264 /nfs/dbraw/zinc/54/52/64/634545264.db2.gz GLIKDAGJYUTLCK-UHFFFAOYSA-N 1 1 294.351 2.568 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026009 627113953 /nfs/dbraw/zinc/11/39/53/627113953.db2.gz BXDCIBWTTWGBPE-GHMZBOCLSA-N 1 1 288.351 2.941 20 5 CFBDMO Cc1nn(C[N@H+]2CCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765039191 627115082 /nfs/dbraw/zinc/11/50/82/627115082.db2.gz RBYHKYJAVVGHRX-UHFFFAOYSA-N 1 1 288.351 2.942 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062307 627116919 /nfs/dbraw/zinc/11/69/19/627116919.db2.gz RDWQQCYBUFZVHH-JQWIXIFHSA-N 1 1 288.351 2.941 20 5 CFBDMO CC[N@@H+]1C[C@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636628 627151789 /nfs/dbraw/zinc/15/17/89/627151789.db2.gz SJKODPWEIBXCSX-UWVGGRQHSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636628 627151790 /nfs/dbraw/zinc/15/17/90/627151790.db2.gz SJKODPWEIBXCSX-UWVGGRQHSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765644633 627152372 /nfs/dbraw/zinc/15/23/72/627152372.db2.gz YKLHNNGMLLHXKZ-QWHCGFSZSA-N 1 1 277.368 2.822 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000851869555 634565360 /nfs/dbraw/zinc/56/53/60/634565360.db2.gz KJDLPJQTWAZIOY-UBSAEIQESA-N 1 1 272.348 2.999 20 5 CFBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290224 627590871 /nfs/dbraw/zinc/59/08/71/627590871.db2.gz SUTWQZOALRVRLT-VHSXEESVSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290224 627590873 /nfs/dbraw/zinc/59/08/73/627590873.db2.gz SUTWQZOALRVRLT-VHSXEESVSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000771459419 627605790 /nfs/dbraw/zinc/60/57/90/627605790.db2.gz JYIMWWCIQBNBIR-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627691 627943335 /nfs/dbraw/zinc/94/33/35/627943335.db2.gz RMMNTFXYPCYCAL-VIFPVBQESA-N 1 1 294.742 2.897 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627691 627943338 /nfs/dbraw/zinc/94/33/38/627943338.db2.gz RMMNTFXYPCYCAL-VIFPVBQESA-N 1 1 294.742 2.897 20 5 CFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782466 628067455 /nfs/dbraw/zinc/06/74/55/628067455.db2.gz IDVBSGKKOHZIRO-GLQYFDAESA-N 1 1 278.352 2.749 20 5 CFBDMO CO[C@@H]1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018524 634628973 /nfs/dbraw/zinc/62/89/73/634628973.db2.gz NYGATSRJYOYWAK-DZGCQCFKSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274991 628124809 /nfs/dbraw/zinc/12/48/09/628124809.db2.gz FDUMUNAUFGRJQW-SMDDNHRTSA-N 1 1 266.341 2.605 20 5 CFBDMO CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279931 628126104 /nfs/dbraw/zinc/12/61/04/628126104.db2.gz VBULHOQUHDRFIP-HUUCEWRRSA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578647 628160248 /nfs/dbraw/zinc/16/02/48/628160248.db2.gz HZTKLAWBKNGFBK-CQSZACIVSA-N 1 1 264.325 2.501 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579528 628160769 /nfs/dbraw/zinc/16/07/69/628160769.db2.gz MOAWOBQTATZVPG-FZMZJTMJSA-N 1 1 290.319 2.914 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000776579484 628160792 /nfs/dbraw/zinc/16/07/92/628160792.db2.gz LSAANNVIVOJOHC-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590123 628162025 /nfs/dbraw/zinc/16/20/25/628162025.db2.gz YJIDZABNYRCGRK-UXIGCNINSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776598574 628164220 /nfs/dbraw/zinc/16/42/20/628164220.db2.gz RNJVUYKIGQOCLL-XUJVJEKNSA-N 1 1 278.352 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC=CCC3)c2)cc1 ZINC000778577055 628317193 /nfs/dbraw/zinc/31/71/93/628317193.db2.gz QNJKKDUKGMVETB-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC=CCC3)c2)cc1 ZINC000778577055 628317195 /nfs/dbraw/zinc/31/71/95/628317195.db2.gz QNJKKDUKGMVETB-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO Cc1nn(C[N@@H+](C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000779859430 628415004 /nfs/dbraw/zinc/41/50/04/628415004.db2.gz LCAIZUMVPIGNTM-LBPRGKRZSA-N 1 1 288.351 2.793 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000779859430 628415007 /nfs/dbraw/zinc/41/50/07/628415007.db2.gz LCAIZUMVPIGNTM-LBPRGKRZSA-N 1 1 288.351 2.793 20 5 CFBDMO CC(C)CC(N)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000782321267 628628264 /nfs/dbraw/zinc/62/82/64/628628264.db2.gz OIRLAWYXWJQTIS-UHFFFAOYSA-N 1 1 281.312 2.518 20 5 CFBDMO C[C@@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783570876 628721707 /nfs/dbraw/zinc/72/17/07/628721707.db2.gz HWTJEGODQNWGHF-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783570876 628721709 /nfs/dbraw/zinc/72/17/09/628721709.db2.gz HWTJEGODQNWGHF-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654745 628731875 /nfs/dbraw/zinc/73/18/75/628731875.db2.gz CJZJQWUIMIUTSX-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@@H]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654745 628731879 /nfs/dbraw/zinc/73/18/79/628731879.db2.gz CJZJQWUIMIUTSX-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034288 628767048 /nfs/dbraw/zinc/76/70/48/628767048.db2.gz VHVMJQAYVKDLAL-LBPRGKRZSA-N 1 1 280.372 2.734 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352438 628808599 /nfs/dbraw/zinc/80/85/99/628808599.db2.gz NXIGTWVWAVMROG-WFASDCNBSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000785728536 628907886 /nfs/dbraw/zinc/90/78/86/628907886.db2.gz IHPWIKCXFXLOEW-RYUDHWBXSA-N 1 1 292.335 2.511 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000786217071 628942882 /nfs/dbraw/zinc/94/28/82/628942882.db2.gz GWRSWMGZYZVTIN-CQSZACIVSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450739 629157774 /nfs/dbraw/zinc/15/77/74/629157774.db2.gz PMEYRXDBMDBIAQ-LMOYCYGVSA-N 1 1 292.379 2.995 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000791052452 629283843 /nfs/dbraw/zinc/28/38/43/629283843.db2.gz OFJWCKJQQZQVBS-OLZOCXBDSA-N 1 1 298.408 2.693 20 5 CFBDMO CC1=C(C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000794890256 629699822 /nfs/dbraw/zinc/69/98/22/629699822.db2.gz PWGOTHHQBRDEJL-UHFFFAOYSA-N 1 1 286.335 2.944 20 5 CFBDMO Cc1ccoc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169337 629741655 /nfs/dbraw/zinc/74/16/55/629741655.db2.gz NIDJCGQFBOGVBX-AWEZNQCLSA-N 1 1 290.319 2.662 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745444 629829190 /nfs/dbraw/zinc/82/91/90/629829190.db2.gz PGROMFWSOJGEGX-DOMZBBRYSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745444 629829192 /nfs/dbraw/zinc/82/91/92/629829192.db2.gz PGROMFWSOJGEGX-DOMZBBRYSA-N 1 1 286.335 2.832 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000796315710 629902254 /nfs/dbraw/zinc/90/22/54/629902254.db2.gz KUZZWJMKNIOJIR-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000852533698 634772939 /nfs/dbraw/zinc/77/29/39/634772939.db2.gz XJIAJNSVLYIIEM-IUODEOHRSA-N 1 1 296.342 2.700 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC=C(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797823476 630108329 /nfs/dbraw/zinc/10/83/29/630108329.db2.gz ZLWNLDDNWQOVNT-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO Cc1nn(C[N@H+]2CCC=C(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797823476 630108332 /nfs/dbraw/zinc/10/83/32/630108332.db2.gz ZLWNLDDNWQOVNT-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852700685 634810517 /nfs/dbraw/zinc/81/05/17/634810517.db2.gz QKZWMJFXIPUUOA-UJMBOELQSA-N 1 1 290.363 2.891 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800869802 630413166 /nfs/dbraw/zinc/41/31/66/630413166.db2.gz DVHPMSQIJSAYSO-CQSZACIVSA-N 1 1 292.383 2.709 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801526332 630453482 /nfs/dbraw/zinc/45/34/82/630453482.db2.gz LAUCMWURRVVYGK-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCCCC1 ZINC000801600273 630461976 /nfs/dbraw/zinc/46/19/76/630461976.db2.gz MZJQLQRKOKSEPA-UHFFFAOYSA-N 1 1 292.379 2.764 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[Si](C)(C)C ZINC000801601347 630462118 /nfs/dbraw/zinc/46/21/18/630462118.db2.gz FGZXTDYOVIKADK-UHFFFAOYSA-N 1 1 266.417 2.947 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)nc1 ZINC000802658203 630536438 /nfs/dbraw/zinc/53/64/38/630536438.db2.gz OCJFBPQFKFXAKD-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CCC[N@@H+](CC)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804531773 630690264 /nfs/dbraw/zinc/69/02/64/630690264.db2.gz SISPKVMJKNPOGI-UHFFFAOYSA-N 1 1 296.327 2.647 20 5 CFBDMO CC(C)(C)C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840150964 631060100 /nfs/dbraw/zinc/06/01/00/631060100.db2.gz ZVWOLMVGTMFHQZ-LLVKDONJSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)(C)C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840150964 631060106 /nfs/dbraw/zinc/06/01/06/631060106.db2.gz ZVWOLMVGTMFHQZ-LLVKDONJSA-N 1 1 266.345 2.507 20 5 CFBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841057097 631324300 /nfs/dbraw/zinc/32/43/00/631324300.db2.gz HYMMIUABERACRS-GHMZBOCLSA-N 1 1 283.759 2.608 20 5 CFBDMO CCCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842647971 631691384 /nfs/dbraw/zinc/69/13/84/631691384.db2.gz JEFZBMIFXQUZRL-UHFFFAOYSA-N 1 1 269.276 2.923 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000845579720 632469686 /nfs/dbraw/zinc/46/96/86/632469686.db2.gz XGGAMUUXTOLYSF-UHFFFAOYSA-N 1 1 280.372 2.567 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845737468 632543209 /nfs/dbraw/zinc/54/32/09/632543209.db2.gz HXMXDDYQEIVARG-CYBMUJFWSA-N 1 1 292.335 2.624 20 5 CFBDMO C[C@H]([NH2+]Cc1cn(C)nc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000856789627 635860001 /nfs/dbraw/zinc/86/00/01/635860001.db2.gz LYVWCVNWAOHIHL-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579866 635041615 /nfs/dbraw/zinc/04/16/15/635041615.db2.gz ZYZRLDJGZLZWMU-VXGBXAGGSA-N 1 1 286.335 2.552 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+](C1CC1)C1CC1 ZINC000859621966 636625249 /nfs/dbraw/zinc/62/52/49/636625249.db2.gz ASGPQGSCNUNRRR-UHFFFAOYSA-N 1 1 250.273 2.861 20 5 CFBDMO C[C@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000863315376 637624286 /nfs/dbraw/zinc/62/42/86/637624286.db2.gz VDNAMXJMBLWURM-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO Cc1ccc(CO[C@@H](C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000865362415 638283631 /nfs/dbraw/zinc/28/36/31/638283631.db2.gz UTORIUFBLVYHDH-NSHDSACASA-N 1 1 275.308 2.774 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249604 638779998 /nfs/dbraw/zinc/77/99/98/638779998.db2.gz LWSAMKWRPSLWPN-VXGBXAGGSA-N 1 1 297.374 2.595 20 5 CFBDMO C[C@@H]([NH2+]CCN1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020421 641550496 /nfs/dbraw/zinc/55/04/96/641550496.db2.gz HOCAKEAGECXOLA-GFCCVEGCSA-N 1 1 295.358 2.870 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872031690 641562085 /nfs/dbraw/zinc/56/20/85/641562085.db2.gz SVTXZGQCEZMICV-NSHDSACASA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040617 641574508 /nfs/dbraw/zinc/57/45/08/641574508.db2.gz ZISPHGRDWJTZKP-RYUDHWBXSA-N 1 1 295.358 2.869 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029533 641989029 /nfs/dbraw/zinc/98/90/29/641989029.db2.gz JUEABOHPZQOXLY-CQSZACIVSA-N 1 1 291.395 2.725 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@H+](C)C1CC1 ZINC000873046012 641995060 /nfs/dbraw/zinc/99/50/60/641995060.db2.gz NITVPACRMGGPPS-LBPRGKRZSA-N 1 1 291.395 2.784 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@@H+](C)C1CC1 ZINC000873046012 641995063 /nfs/dbraw/zinc/99/50/63/641995063.db2.gz NITVPACRMGGPPS-LBPRGKRZSA-N 1 1 291.395 2.784 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000873060296 641998741 /nfs/dbraw/zinc/99/87/41/641998741.db2.gz HOXQDKBHVXQYRA-OCCSQVGLSA-N 1 1 291.395 2.784 20 5 CFBDMO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000873297331 642128037 /nfs/dbraw/zinc/12/80/37/642128037.db2.gz WJVCEARTPRKKGH-WOPDTQHZSA-N 1 1 263.341 2.515 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877441059 643273837 /nfs/dbraw/zinc/27/38/37/643273837.db2.gz UYUULCGTZIOTBY-HNNXBMFYSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000877554647 643355960 /nfs/dbraw/zinc/35/59/60/643355960.db2.gz LAUDYLPYJARGRT-CQSZACIVSA-N 1 1 292.379 2.806 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877752043 643528767 /nfs/dbraw/zinc/52/87/67/643528767.db2.gz LWHMQPAZFIMVLI-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877752043 643528769 /nfs/dbraw/zinc/52/87/69/643528769.db2.gz LWHMQPAZFIMVLI-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CCC[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001914 643688779 /nfs/dbraw/zinc/68/87/79/643688779.db2.gz HBSYLKNHVACHHH-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000878325898 643840851 /nfs/dbraw/zinc/84/08/51/643840851.db2.gz KKKIMJDMYTUEPN-AKAXFMLLSA-N 1 1 290.363 2.984 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319534 644224133 /nfs/dbraw/zinc/22/41/33/644224133.db2.gz WVKOSPILLGKECX-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322526 644228300 /nfs/dbraw/zinc/22/83/00/644228300.db2.gz WLFSFIMLBBNETE-YPMHNXCESA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619659 644349697 /nfs/dbraw/zinc/34/96/97/644349697.db2.gz YYDCCYIHSUMWDW-VXGBXAGGSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880231979 644591765 /nfs/dbraw/zinc/59/17/65/644591765.db2.gz CKHNWOKTHDNACI-GFCCVEGCSA-N 1 1 282.315 2.785 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880232248 644593297 /nfs/dbraw/zinc/59/32/97/644593297.db2.gz JPOZAHZGBIJZFV-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880232248 644593299 /nfs/dbraw/zinc/59/32/99/644593299.db2.gz JPOZAHZGBIJZFV-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000880233990 644594878 /nfs/dbraw/zinc/59/48/78/644594878.db2.gz GJMMMAZNVSKDDU-GFCCVEGCSA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880237415 644600266 /nfs/dbraw/zinc/60/02/66/644600266.db2.gz BSAKPMQAWUQAPQ-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237415 644600269 /nfs/dbraw/zinc/60/02/69/644600269.db2.gz BSAKPMQAWUQAPQ-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(F)CC1 ZINC000880239196 644602174 /nfs/dbraw/zinc/60/21/74/644602174.db2.gz BMZTXSVZTSCKPJ-UHFFFAOYSA-N 1 1 268.288 2.537 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CF)C1 ZINC000880291165 644630151 /nfs/dbraw/zinc/63/01/51/644630151.db2.gz CIJTUSNROXOOAN-MNOVXSKESA-N 1 1 252.289 2.947 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000880293868 644633006 /nfs/dbraw/zinc/63/30/06/644633006.db2.gz PCWVCCSVMCIQRV-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](CF)C1 ZINC000880293868 644633010 /nfs/dbraw/zinc/63/30/10/644633010.db2.gz PCWVCCSVMCIQRV-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CF)C3)nc2c1 ZINC000880295406 644634536 /nfs/dbraw/zinc/63/45/36/644634536.db2.gz SSUZGFUTKRSIDF-SECBINFHSA-N 1 1 279.271 2.527 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CF)C3)nc2c1 ZINC000880295406 644634539 /nfs/dbraw/zinc/63/45/39/644634539.db2.gz SSUZGFUTKRSIDF-SECBINFHSA-N 1 1 279.271 2.527 20 5 CFBDMO Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c([N+](=O)[O-])n1 ZINC000880537448 644755773 /nfs/dbraw/zinc/75/57/73/644755773.db2.gz FFZQENYAVIBECM-NHYWBVRUSA-N 1 1 298.346 2.763 20 5 CFBDMO Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c([N+](=O)[O-])n1 ZINC000880537448 644755776 /nfs/dbraw/zinc/75/57/76/644755776.db2.gz FFZQENYAVIBECM-NHYWBVRUSA-N 1 1 298.346 2.763 20 5 CFBDMO CC(=O)c1c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016736 645177264 /nfs/dbraw/zinc/17/72/64/645177264.db2.gz AMYSMECTDMMHMV-PWSUYJOCSA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](CF)C3)c2c1 ZINC000882838207 645474200 /nfs/dbraw/zinc/47/42/00/645474200.db2.gz APPQGZVHPXADIM-JTQLQIEISA-N 1 1 275.283 2.939 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252922225 651029800 /nfs/dbraw/zinc/02/98/00/651029800.db2.gz IECRYQQWVWBCPA-TZMCWYRMSA-N 1 1 298.770 2.984 20 5 CFBDMO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885969501 646789123 /nfs/dbraw/zinc/78/91/23/646789123.db2.gz UKTNJBQEZQCTPY-UHFFFAOYSA-N 1 1 251.330 2.858 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000886005475 646810116 /nfs/dbraw/zinc/81/01/16/646810116.db2.gz BRYPMIJCJUCQER-LLVKDONJSA-N 1 1 273.292 2.572 20 5 CFBDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886073369 646856122 /nfs/dbraw/zinc/85/61/22/646856122.db2.gz UEKZTLZQDLDVSX-LLVKDONJSA-N 1 1 283.397 2.953 20 5 CFBDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886123138 646882524 /nfs/dbraw/zinc/88/25/24/646882524.db2.gz RVFVGQLBNIGKLZ-LLVKDONJSA-N 1 1 286.335 2.798 20 5 CFBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181780 646911318 /nfs/dbraw/zinc/91/13/18/646911318.db2.gz TZVWLXFMDPQDHW-WCBMZHEXSA-N 1 1 289.257 2.763 20 5 CFBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181780 646911320 /nfs/dbraw/zinc/91/13/20/646911320.db2.gz TZVWLXFMDPQDHW-WCBMZHEXSA-N 1 1 289.257 2.763 20 5 CFBDMO CSC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215109 646923712 /nfs/dbraw/zinc/92/37/12/646923712.db2.gz DKSBWVTUDLGKLN-NSHDSACASA-N 1 1 281.381 2.565 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000886268899 646942239 /nfs/dbraw/zinc/94/22/39/646942239.db2.gz FHYBPKPQAQMDSJ-LBPRGKRZSA-N 1 1 283.278 2.611 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cs1 ZINC000886832046 647155979 /nfs/dbraw/zinc/15/59/79/647155979.db2.gz ABCLUBPUNFWRQY-VXGBXAGGSA-N 1 1 282.365 2.657 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000886924347 647177345 /nfs/dbraw/zinc/17/73/45/647177345.db2.gz WZMMSOAVTIOVBE-AWEZNQCLSA-N 1 1 287.294 2.906 20 5 CFBDMO CCOc1cc(C[N@@H+](C)CCCF)ccc1[N+](=O)[O-] ZINC000887141153 647228724 /nfs/dbraw/zinc/22/87/24/647228724.db2.gz HUHIPLBHJYPNOV-UHFFFAOYSA-N 1 1 270.304 2.785 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924093280 647921671 /nfs/dbraw/zinc/92/16/71/647921671.db2.gz QBDRBAZLLDWFHH-VIFPVBQESA-N 1 1 292.295 2.783 20 5 CFBDMO C[C@H](N)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000925631707 648251154 /nfs/dbraw/zinc/25/11/54/648251154.db2.gz WRUIRXFTHLNMKG-SUMWQHHRSA-N 1 1 299.374 2.815 20 5 CFBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OC(F)F ZINC000930201820 649205922 /nfs/dbraw/zinc/20/59/22/649205922.db2.gz UDOGFWWJAJKMHH-JTQLQIEISA-N 1 1 274.267 2.605 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000930825892 649332813 /nfs/dbraw/zinc/33/28/13/649332813.db2.gz ONYXUBQMJGRBQZ-AWEZNQCLSA-N 1 1 258.321 2.656 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000930825892 649332815 /nfs/dbraw/zinc/33/28/15/649332815.db2.gz ONYXUBQMJGRBQZ-AWEZNQCLSA-N 1 1 258.321 2.656 20 5 CFBDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC[N+](=O)[O-] ZINC000931555990 649453805 /nfs/dbraw/zinc/45/38/05/649453805.db2.gz YXAXFJGDGLRAPR-GFCCVEGCSA-N 1 1 266.316 2.670 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000931923483 649511940 /nfs/dbraw/zinc/51/19/40/649511940.db2.gz OSLBWZNBETYZLZ-XJKSGUPXSA-N 1 1 299.330 2.665 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000931923483 649511944 /nfs/dbraw/zinc/51/19/44/649511944.db2.gz OSLBWZNBETYZLZ-XJKSGUPXSA-N 1 1 299.330 2.665 20 5 CFBDMO CCc1nocc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178995 649559706 /nfs/dbraw/zinc/55/97/06/649559706.db2.gz VDZSQHUTNBAVDM-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO CSCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000932585191 649623678 /nfs/dbraw/zinc/62/36/78/649623678.db2.gz IISZKRCOLKKPBI-UHFFFAOYSA-N 1 1 281.381 2.565 20 5 CFBDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000933762852 649719670 /nfs/dbraw/zinc/71/96/70/649719670.db2.gz ICTLZNYZKBUVPQ-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1cccc(C)c1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000933762852 649719672 /nfs/dbraw/zinc/71/96/72/649719672.db2.gz ICTLZNYZKBUVPQ-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108055 649750353 /nfs/dbraw/zinc/75/03/53/649750353.db2.gz ZBEVCHZMOWWOPI-AAEUAGOBSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108055 649750356 /nfs/dbraw/zinc/75/03/56/649750356.db2.gz ZBEVCHZMOWWOPI-AAEUAGOBSA-N 1 1 284.743 2.857 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934298030 649769678 /nfs/dbraw/zinc/76/96/78/649769678.db2.gz RTTJIVGGZFBPIG-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@]1(C2CC2)COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934480083 649793271 /nfs/dbraw/zinc/79/32/71/649793271.db2.gz BFSXDJGLRGQYQM-MRXNPFEDSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934699190 649816727 /nfs/dbraw/zinc/81/67/27/649816727.db2.gz VEMTUFJDYPJTQB-AWEZNQCLSA-N 1 1 284.319 2.626 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000404375204 773226457 /nfs/dbraw/zinc/22/64/57/773226457.db2.gz VVGFCJSEQLAFKT-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO CC[N@@H+]1CCC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432794 775454438 /nfs/dbraw/zinc/45/44/38/775454438.db2.gz GFOBHNSWUHEPLI-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432794 775454443 /nfs/dbraw/zinc/45/44/43/775454443.db2.gz GFOBHNSWUHEPLI-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO COc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001225440876 775458820 /nfs/dbraw/zinc/45/88/20/775458820.db2.gz JCGKGCQEHGYWEM-CYBMUJFWSA-N 1 1 294.351 2.855 20 5 CFBDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694697612 775549834 /nfs/dbraw/zinc/54/98/34/775549834.db2.gz HKEGAULMUZOSKU-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694697612 775549840 /nfs/dbraw/zinc/54/98/40/775549840.db2.gz HKEGAULMUZOSKU-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(C)CO ZINC000694709173 775552570 /nfs/dbraw/zinc/55/25/70/775552570.db2.gz ZZMUFRSZYSUVMC-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(C)CO ZINC000694709173 775552576 /nfs/dbraw/zinc/55/25/76/775552576.db2.gz ZZMUFRSZYSUVMC-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913847 775632349 /nfs/dbraw/zinc/63/23/49/775632349.db2.gz WWALQLSMBGQTTP-JTQLQIEISA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225914950 775634117 /nfs/dbraw/zinc/63/41/17/775634117.db2.gz DAUFNRQUQBXIBY-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225959144 775648644 /nfs/dbraw/zinc/64/86/44/775648644.db2.gz KOIGSUAKFKBRGN-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001226191478 775732754 /nfs/dbraw/zinc/73/27/54/775732754.db2.gz NLVJKNXENYIILG-ILWJIGKKSA-N 1 1 298.289 2.877 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364844 775790924 /nfs/dbraw/zinc/79/09/24/775790924.db2.gz UFPQCJGQEGRHFL-VIFPVBQESA-N 1 1 285.731 2.505 20 5 CFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226712262 775934009 /nfs/dbraw/zinc/93/40/09/775934009.db2.gz JUYJPZRGAKLZGK-IMRBUKKESA-N 1 1 291.351 2.772 20 5 CFBDMO Cc1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226951143 776031368 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C[C@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000027132809 346268143 /nfs/dbraw/zinc/26/81/43/346268143.db2.gz OESXZHYLMUUDMX-NSHDSACASA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1c(NC(=O)CC[N@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065962733 346744986 /nfs/dbraw/zinc/74/49/86/346744986.db2.gz OUJPAUFPSLFSRV-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076157137 347126429 /nfs/dbraw/zinc/12/64/29/347126429.db2.gz IXKCXOCOZQEOEE-UHFFFAOYSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000128456846 187372275 /nfs/dbraw/zinc/37/22/75/187372275.db2.gz CUULYMQIIRZWIM-ZBFHGGJFSA-N 1 1 290.363 2.722 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332715 347241817 /nfs/dbraw/zinc/24/18/17/347241817.db2.gz CIXZAPZFEUHBMD-OLZOCXBDSA-N 1 1 277.368 2.761 20 5 CFBDMO Cc1c(C[NH2+]C(C)(C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000308632579 232647080 /nfs/dbraw/zinc/64/70/80/232647080.db2.gz HEFJBQHSNZQVTF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1cnc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078653868 347267102 /nfs/dbraw/zinc/26/71/02/347267102.db2.gz GJRPAACPZZBCIX-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC23CCC3)cc1 ZINC000081516037 347423391 /nfs/dbraw/zinc/42/33/91/347423391.db2.gz KCRILGGHGZVCBD-UHFFFAOYSA-N 1 1 262.309 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000088721476 347507852 /nfs/dbraw/zinc/50/78/52/347507852.db2.gz LSXJANJGEFNFDF-ZDUSSCGKSA-N 1 1 275.352 2.799 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000092626568 347636049 /nfs/dbraw/zinc/63/60/49/347636049.db2.gz RBKBLVGMIUCGGZ-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000093143670 347663144 /nfs/dbraw/zinc/66/31/44/347663144.db2.gz HKBWEBZKQYDBGH-CFNZNRNTSA-N 1 1 278.352 2.699 20 5 CFBDMO O=[N+]([O-])c1ccccc1NCCNc1[nH]c2ccccc2[nH+]1 ZINC000096638679 347702955 /nfs/dbraw/zinc/70/29/55/347702955.db2.gz RLJGQJIWLGHMND-UHFFFAOYSA-N 1 1 297.318 2.995 20 5 CFBDMO Cc1ccc(C[N@@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000093383108 347672164 /nfs/dbraw/zinc/67/21/64/347672164.db2.gz LESCUHIMORAYLM-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777910 348002423 /nfs/dbraw/zinc/00/24/23/348002423.db2.gz NLVZJEUETWZWOT-IUODEOHRSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777910 348002425 /nfs/dbraw/zinc/00/24/25/348002425.db2.gz NLVZJEUETWZWOT-IUODEOHRSA-N 1 1 289.379 2.730 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000198627011 348150426 /nfs/dbraw/zinc/15/04/26/348150426.db2.gz QTSZXGFHAIJUPS-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000198627011 348150429 /nfs/dbraw/zinc/15/04/29/348150429.db2.gz QTSZXGFHAIJUPS-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CO)CC1 ZINC000293256231 348361912 /nfs/dbraw/zinc/36/19/12/348361912.db2.gz UEYVYQJWRAKRQM-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000311419871 348413159 /nfs/dbraw/zinc/41/31/59/348413159.db2.gz KLIQVEOAEFQLGM-JTQLQIEISA-N 1 1 269.320 2.875 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413044828 233010723 /nfs/dbraw/zinc/01/07/23/233010723.db2.gz XNAKPNYTFDMPIW-LLVKDONJSA-N 1 1 296.346 2.805 20 5 CFBDMO COc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000312661167 348420381 /nfs/dbraw/zinc/42/03/81/348420381.db2.gz AJTQVGKXDQIHDF-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO Cn1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000316177956 348431455 /nfs/dbraw/zinc/43/14/55/348431455.db2.gz WQXAOAOMCHQPDM-UHFFFAOYSA-N 1 1 296.330 2.771 20 5 CFBDMO CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328205501 348440712 /nfs/dbraw/zinc/44/07/12/348440712.db2.gz TXIOXHOQLILOIY-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404444382 348592643 /nfs/dbraw/zinc/59/26/43/348592643.db2.gz WJUJHJLWKXZCNN-WFASDCNBSA-N 1 1 277.368 2.544 20 5 CFBDMO Cc1cnc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413343224 233056061 /nfs/dbraw/zinc/05/60/61/233056061.db2.gz AKMMZSMAZRLEPX-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589957 348681159 /nfs/dbraw/zinc/68/11/59/348681159.db2.gz CXYIIZUHWUQYIT-BXUZGUMPSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589957 348681163 /nfs/dbraw/zinc/68/11/63/348681163.db2.gz CXYIIZUHWUQYIT-BXUZGUMPSA-N 1 1 296.392 2.720 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC1CCC1)CC2 ZINC000588202009 348779044 /nfs/dbraw/zinc/77/90/44/348779044.db2.gz DMUJKFPLQSKKBQ-UHFFFAOYSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC1CCC1)CC2 ZINC000588202009 348779047 /nfs/dbraw/zinc/77/90/47/348779047.db2.gz DMUJKFPLQSKKBQ-UHFFFAOYSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000587973646 348763117 /nfs/dbraw/zinc/76/31/17/348763117.db2.gz BTSGEYYKXAHUTD-LLVKDONJSA-N 1 1 279.315 2.630 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589198198 348819225 /nfs/dbraw/zinc/81/92/25/348819225.db2.gz QRTKKVIFWCECPB-INIZCTEOSA-N 1 1 292.379 2.921 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000589501622 348836243 /nfs/dbraw/zinc/83/62/43/348836243.db2.gz TUKWAWOHPCIQAL-WDEREUQCSA-N 1 1 292.335 2.612 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000589494960 348836379 /nfs/dbraw/zinc/83/63/79/348836379.db2.gz DOUAUHILCOLMTA-LLVKDONJSA-N 1 1 294.351 2.858 20 5 CFBDMO Cc1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584232 348839345 /nfs/dbraw/zinc/83/93/45/348839345.db2.gz LAWSBIQZFOANQY-NEPJUHHUSA-N 1 1 275.352 2.940 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000589742346 348854207 /nfs/dbraw/zinc/85/42/07/348854207.db2.gz LBEOBJGDDDZPGW-DOTOQJQBSA-N 1 1 295.342 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000589737410 348854811 /nfs/dbraw/zinc/85/48/11/348854811.db2.gz ORIDWMSFRPCPQL-OMVNSRBRSA-N 1 1 298.346 2.752 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591850151 349051258 /nfs/dbraw/zinc/05/12/58/349051258.db2.gz VZMPTFLWAJCHPZ-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000591578351 349031545 /nfs/dbraw/zinc/03/15/45/349031545.db2.gz VQQMGEPITTZOQX-BBRMVZONSA-N 1 1 289.379 2.704 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000591578353 349032288 /nfs/dbraw/zinc/03/22/88/349032288.db2.gz VQQMGEPITTZOQX-CZUORRHYSA-N 1 1 289.379 2.704 20 5 CFBDMO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1F ZINC000592200157 349099038 /nfs/dbraw/zinc/09/90/38/349099038.db2.gz LZHILGOILBZTEG-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1F ZINC000592200157 349099040 /nfs/dbraw/zinc/09/90/40/349099040.db2.gz LZHILGOILBZTEG-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000592520760 349131193 /nfs/dbraw/zinc/13/11/93/349131193.db2.gz QRTMRZBSPHRDJU-CQSZACIVSA-N 1 1 295.358 2.650 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CCO ZINC000593110738 349210870 /nfs/dbraw/zinc/21/08/70/349210870.db2.gz ZVFWPWAUAJCENS-GFCCVEGCSA-N 1 1 296.367 2.585 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC34CCCC4)nc2c1 ZINC000593039451 349192608 /nfs/dbraw/zinc/19/26/08/349192608.db2.gz SOZYIBZUYWLNIC-UHFFFAOYSA-N 1 1 286.335 2.990 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC34CCCC4)nc2c1 ZINC000593039451 349192611 /nfs/dbraw/zinc/19/26/11/349192611.db2.gz SOZYIBZUYWLNIC-UHFFFAOYSA-N 1 1 286.335 2.990 20 5 CFBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593063853 349199208 /nfs/dbraw/zinc/19/92/08/349199208.db2.gz PLKWTEWSTYPDEK-WFASDCNBSA-N 1 1 278.352 2.637 20 5 CFBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593068151 349200317 /nfs/dbraw/zinc/20/03/17/349200317.db2.gz MULJXINZCGRUJC-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000593481142 349279363 /nfs/dbraw/zinc/27/93/63/349279363.db2.gz XDXRRERKKUWZKK-UHFFFAOYSA-N 1 1 298.362 2.706 20 5 CFBDMO COC[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271207533 191000052 /nfs/dbraw/zinc/00/00/52/191000052.db2.gz WMQGTNINTUXVDJ-BPJJOFIESA-N 1 1 276.336 2.576 20 5 CFBDMO C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C1CC1 ZINC000105488297 186061410 /nfs/dbraw/zinc/06/14/10/186061410.db2.gz BXKPZKKDMAUWBD-JTQLQIEISA-N 1 1 297.786 2.821 20 5 CFBDMO CO[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091772322 180249291 /nfs/dbraw/zinc/24/92/91/180249291.db2.gz VSYPCYHFNRVHRN-GBXSZLQWSA-N 1 1 276.336 2.719 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000091859803 180275795 /nfs/dbraw/zinc/27/57/95/180275795.db2.gz AGBXNFNDTCRBDJ-GHMZBOCLSA-N 1 1 294.351 2.842 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000598466650 350273001 /nfs/dbraw/zinc/27/30/01/350273001.db2.gz RSQGFEJPRARACY-UHFFFAOYSA-N 1 1 299.396 2.507 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598649292 350302645 /nfs/dbraw/zinc/30/26/45/350302645.db2.gz SXTNHJDYPWOWOR-AWEZNQCLSA-N 1 1 278.352 2.578 20 5 CFBDMO COc1ccc(C[NH+]2CC(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598679194 350309487 /nfs/dbraw/zinc/30/94/87/350309487.db2.gz ZQYPDHOYHVJFBY-UHFFFAOYSA-N 1 1 276.336 2.835 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956117 350348972 /nfs/dbraw/zinc/34/89/72/350348972.db2.gz XKWKHUGSNSHZQK-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070037 350370251 /nfs/dbraw/zinc/37/02/51/350370251.db2.gz JOZKRORIJBJQFN-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO CCO[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599411762 350431763 /nfs/dbraw/zinc/43/17/63/350431763.db2.gz DFYRCFLZOKIOFX-MRXNPFEDSA-N 1 1 292.379 2.884 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1 ZINC000600196660 350537041 /nfs/dbraw/zinc/53/70/41/350537041.db2.gz DJXWDYWSOQNPAM-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(Cn2cc[nH+]c2C2CC2)c(F)c1 ZINC000600612251 350580432 /nfs/dbraw/zinc/58/04/32/350580432.db2.gz ZXBPNNRLYRQCBY-UHFFFAOYSA-N 1 1 279.246 2.995 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)cs1 ZINC000109796212 186272506 /nfs/dbraw/zinc/27/25/06/186272506.db2.gz ZJWWCXHSIQGVLL-UHFFFAOYSA-N 1 1 292.364 2.690 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601128868 350676798 /nfs/dbraw/zinc/67/67/98/350676798.db2.gz FODYKUJZAHITCN-NSHDSACASA-N 1 1 296.346 2.519 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CCO4)CC3)c2c1 ZINC000601162484 350686103 /nfs/dbraw/zinc/68/61/03/350686103.db2.gz PUJSFFZVLSRPBT-UHFFFAOYSA-N 1 1 299.330 2.902 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](F)C3)c2c1 ZINC000601171846 350687853 /nfs/dbraw/zinc/68/78/53/350687853.db2.gz RIOQDGODOKDAMG-VIFPVBQESA-N 1 1 261.256 2.691 20 5 CFBDMO CCOc1cc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000111049928 186348119 /nfs/dbraw/zinc/34/81/19/186348119.db2.gz OJXGGYBHGOFINX-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000271416375 191125704 /nfs/dbraw/zinc/12/57/04/191125704.db2.gz BFOHYRQHMYUKEM-OAHLLOKOSA-N 1 1 286.335 2.934 20 5 CFBDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483878 350901893 /nfs/dbraw/zinc/90/18/93/350901893.db2.gz JMQMJBICVFJHQN-GFCCVEGCSA-N 1 1 280.372 2.586 20 5 CFBDMO CC(C)(C)OCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602525119 350914308 /nfs/dbraw/zinc/91/43/08/350914308.db2.gz QZEIYWGOWLJRHK-UHFFFAOYSA-N 1 1 293.323 2.641 20 5 CFBDMO CCC[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651627 350962263 /nfs/dbraw/zinc/96/22/63/350962263.db2.gz TZZMMDKTWROAIS-AWEZNQCLSA-N 1 1 280.368 2.884 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000602708868 350992140 /nfs/dbraw/zinc/99/21/40/350992140.db2.gz YWHDASHCHVZDCI-GFCCVEGCSA-N 1 1 252.289 2.571 20 5 CFBDMO CC[C@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781046 351022834 /nfs/dbraw/zinc/02/28/34/351022834.db2.gz GOFSIWHBWDTYKD-CQSZACIVSA-N 1 1 280.372 2.612 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC12CCCCC2 ZINC000602797484 351029107 /nfs/dbraw/zinc/02/91/07/351029107.db2.gz WVCWWPYXSGDPOH-UHFFFAOYSA-N 1 1 292.383 2.898 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2cnccn2)C2CC2)cc1 ZINC000602799252 351029120 /nfs/dbraw/zinc/02/91/20/351029120.db2.gz MRNKTNORAWGQIO-UHFFFAOYSA-N 1 1 298.346 2.592 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000602804812 351033004 /nfs/dbraw/zinc/03/30/04/351033004.db2.gz LNJBJTZHGMAUHD-IUODEOHRSA-N 1 1 292.383 2.612 20 5 CFBDMO Cn1cc(C[N@H+](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602826984 351038687 /nfs/dbraw/zinc/03/86/87/351038687.db2.gz MXUAPXNHYSYOAD-UHFFFAOYSA-N 1 1 288.351 2.695 20 5 CFBDMO Cn1cc(C[N@@H+](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602826984 351038690 /nfs/dbraw/zinc/03/86/90/351038690.db2.gz MXUAPXNHYSYOAD-UHFFFAOYSA-N 1 1 288.351 2.695 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000602831963 351039743 /nfs/dbraw/zinc/03/97/43/351039743.db2.gz MVTGPTRHNQZFLK-OLZOCXBDSA-N 1 1 292.383 2.610 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602883072 351056959 /nfs/dbraw/zinc/05/69/59/351056959.db2.gz WAYXVOMOEZFCNP-AWEZNQCLSA-N 1 1 272.308 2.655 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602883072 351056964 /nfs/dbraw/zinc/05/69/64/351056964.db2.gz WAYXVOMOEZFCNP-AWEZNQCLSA-N 1 1 272.308 2.655 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602883537 351057590 /nfs/dbraw/zinc/05/75/90/351057590.db2.gz NRDPRSDBOANIPC-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO Cn1cc(C2=CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000602889391 351058176 /nfs/dbraw/zinc/05/81/76/351058176.db2.gz VRRHNHQFYLNFDT-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1CCCCC1 ZINC000602755240 351014956 /nfs/dbraw/zinc/01/49/56/351014956.db2.gz BYLBLFIEPZDCCZ-UHFFFAOYSA-N 1 1 280.372 2.612 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982246 351083538 /nfs/dbraw/zinc/08/35/38/351083538.db2.gz PMTSZOUVKJCMDI-IUODEOHRSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997667 351088073 /nfs/dbraw/zinc/08/80/73/351088073.db2.gz OPTZLXAQQMBLEN-PMPSAXMXSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997050 351088466 /nfs/dbraw/zinc/08/84/66/351088466.db2.gz BESQLPADJXSFJO-KBMXLJTQSA-N 1 1 290.363 2.720 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000609560661 351507146 /nfs/dbraw/zinc/50/71/46/351507146.db2.gz FYVMFRGOYIXNSU-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133299 351535704 /nfs/dbraw/zinc/53/57/04/351535704.db2.gz BOSMICVGOUJZAO-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000610762795 351605444 /nfs/dbraw/zinc/60/54/44/351605444.db2.gz WXXRSLIFLIRATH-NEPJUHHUSA-N 1 1 262.309 2.588 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOC3)CC2)cs1 ZINC000611177807 351647571 /nfs/dbraw/zinc/64/75/71/351647571.db2.gz LYLCBLWTGLZNCT-UHFFFAOYSA-N 1 1 282.365 2.659 20 5 CFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000611202983 351651381 /nfs/dbraw/zinc/65/13/81/351651381.db2.gz XBTGOOILEHKGQI-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000611256566 351659261 /nfs/dbraw/zinc/65/92/61/351659261.db2.gz GPJBXPQMTHWCKK-AWEZNQCLSA-N 1 1 278.352 2.762 20 5 CFBDMO O=[N+]([O-])c1sccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000611370600 351676773 /nfs/dbraw/zinc/67/67/73/351676773.db2.gz YBPGKQLTRULYAG-SECBINFHSA-N 1 1 278.337 2.763 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412736 351686207 /nfs/dbraw/zinc/68/62/07/351686207.db2.gz HYNYSCIWQYRGFE-LBPRGKRZSA-N 1 1 295.408 2.824 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000611515573 351702814 /nfs/dbraw/zinc/70/28/14/351702814.db2.gz FGHQLPGLZMPFQT-CYBMUJFWSA-N 1 1 276.336 2.978 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611792870 351741170 /nfs/dbraw/zinc/74/11/70/351741170.db2.gz RKEKUJLBIRALCF-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576775 351710907 /nfs/dbraw/zinc/71/09/07/351710907.db2.gz DNLYYNBPIMODLX-NSHDSACASA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576775 351710909 /nfs/dbraw/zinc/71/09/09/351710909.db2.gz DNLYYNBPIMODLX-NSHDSACASA-N 1 1 286.278 2.798 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122708088 187047135 /nfs/dbraw/zinc/04/71/35/187047135.db2.gz RDAXKOJEQYCRMH-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123807285 187109956 /nfs/dbraw/zinc/10/99/56/187109956.db2.gz AVGOURUPFDPWLP-OCCSQVGLSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561409 191212011 /nfs/dbraw/zinc/21/20/11/191212011.db2.gz PTBAXYRFTJRYKP-RYUDHWBXSA-N 1 1 291.351 2.796 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292311256 198239604 /nfs/dbraw/zinc/23/96/04/198239604.db2.gz DSANCSMNVCRHRN-ONGXEEELSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292311256 198239606 /nfs/dbraw/zinc/23/96/06/198239606.db2.gz DSANCSMNVCRHRN-ONGXEEELSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000153818985 188105072 /nfs/dbraw/zinc/10/50/72/188105072.db2.gz CIDOCVJCXGQAFC-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000295166206 199382569 /nfs/dbraw/zinc/38/25/69/199382569.db2.gz NTWKNTJUTWUTEC-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO CC1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154265160 188132537 /nfs/dbraw/zinc/13/25/37/188132537.db2.gz OWFIKCBRSTYPMH-AWEZNQCLSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000157600286 188327354 /nfs/dbraw/zinc/32/73/54/188327354.db2.gz MVQRWIYWGAVIID-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000157811666 188340283 /nfs/dbraw/zinc/34/02/83/188340283.db2.gz ORMXAJRBIFBMMA-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000157811666 188340285 /nfs/dbraw/zinc/34/02/85/188340285.db2.gz ORMXAJRBIFBMMA-UHFFFAOYSA-N 1 1 295.339 2.865 20 5 CFBDMO CCCc1[nH+]ccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000158020845 188352675 /nfs/dbraw/zinc/35/26/75/188352675.db2.gz RIXROEAWCXBKOB-UHFFFAOYSA-N 1 1 286.291 2.933 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422560815 237103943 /nfs/dbraw/zinc/10/39/43/237103943.db2.gz HRQFFFYSXGTTAC-WHOFXGATSA-N 1 1 291.395 2.708 20 5 CFBDMO [NH3+][C@H]1C[C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778566 237195747 /nfs/dbraw/zinc/19/57/47/237195747.db2.gz ASMWFIKXXCVFNM-JKSUJKDBSA-N 1 1 297.358 2.872 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000297711112 200266506 /nfs/dbraw/zinc/26/65/06/200266506.db2.gz BJFHXHKFAIIMHO-ZDUSSCGKSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000297711112 200266508 /nfs/dbraw/zinc/26/65/08/200266508.db2.gz BJFHXHKFAIIMHO-ZDUSSCGKSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C)CC1 ZINC000297711112 200266509 /nfs/dbraw/zinc/26/65/09/200266509.db2.gz BJFHXHKFAIIMHO-ZDUSSCGKSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000177907691 189078504 /nfs/dbraw/zinc/07/85/04/189078504.db2.gz NYXSHNAERDONJO-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000301424565 201003150 /nfs/dbraw/zinc/00/31/50/201003150.db2.gz OOZUUUPPLRLYID-FZMZJTMJSA-N 1 1 295.358 2.900 20 5 CFBDMO CCOCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183090419 189346355 /nfs/dbraw/zinc/34/63/55/189346355.db2.gz UWDBJSXXSSREQY-GFCCVEGCSA-N 1 1 266.341 2.933 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000183219142 189350855 /nfs/dbraw/zinc/35/08/55/189350855.db2.gz XBNMRJPFIUKBAP-RYUDHWBXSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184515150 189388490 /nfs/dbraw/zinc/38/84/90/189388490.db2.gz MBESGMMALSFSDK-ZDUSSCGKSA-N 1 1 290.319 2.710 20 5 CFBDMO CC[N@@H+](C)CCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302047537 201318203 /nfs/dbraw/zinc/31/82/03/201318203.db2.gz YWTKXEVKJNXVLL-UHFFFAOYSA-N 1 1 288.351 2.815 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC=C(C)CC1 ZINC000302144552 201363080 /nfs/dbraw/zinc/36/30/80/201363080.db2.gz IQNFCZDOAKEBQH-UHFFFAOYSA-N 1 1 275.352 2.967 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426461166 239225276 /nfs/dbraw/zinc/22/52/76/239225276.db2.gz PJAKPOIAVIBFCB-STQMWFEESA-N 1 1 276.336 2.848 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000443942619 241097368 /nfs/dbraw/zinc/09/73/68/241097368.db2.gz DDMOZMZYCGREMU-UHFFFAOYSA-N 1 1 278.356 2.524 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000275894944 193157210 /nfs/dbraw/zinc/15/72/10/193157210.db2.gz QTNNZOFNVAVRJE-HDJSIYSDSA-N 1 1 278.352 2.639 20 5 CFBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275974462 193177750 /nfs/dbraw/zinc/17/77/50/193177750.db2.gz MAJXFSABONEWND-KEDPEKRHSA-N 1 1 290.363 2.701 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000452045965 243024008 /nfs/dbraw/zinc/02/40/08/243024008.db2.gz XUIYNFVRNATCOD-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614982 203040947 /nfs/dbraw/zinc/04/09/47/203040947.db2.gz UATVQIIBKWCKKB-KBPBESRZSA-N 1 1 292.379 2.884 20 5 CFBDMO C[NH+](C)CC(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000453597807 243613804 /nfs/dbraw/zinc/61/38/04/243613804.db2.gz MYNWQIMRMRSIAI-VQHVLOKHSA-N 1 1 277.368 2.538 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276473003 193345224 /nfs/dbraw/zinc/34/52/24/193345224.db2.gz QSYFQUMHSKWEAM-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO CCC[C@H]([NH2+]CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091903 372229241 /nfs/dbraw/zinc/22/92/41/372229241.db2.gz BXJRGYVUFJRAEI-HNNXBMFYSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023991737 372268268 /nfs/dbraw/zinc/26/82/68/372268268.db2.gz HUQPEEHUBVJDCR-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000034369401 372507670 /nfs/dbraw/zinc/50/76/70/372507670.db2.gz CIEYFYJYDRPVNE-UHFFFAOYSA-N 1 1 286.331 2.589 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccnc1 ZINC000035125517 372542973 /nfs/dbraw/zinc/54/29/73/372542973.db2.gz VIEFLBLUKGAMRH-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000037756838 372699781 /nfs/dbraw/zinc/69/97/81/372699781.db2.gz VHYLEVAVYFJXPU-UHFFFAOYSA-N 1 1 258.281 2.614 20 5 CFBDMO CC[N@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037644324 372681232 /nfs/dbraw/zinc/68/12/32/372681232.db2.gz SCNIPCIXVAKVMT-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO Cc1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000037988455 372749534 /nfs/dbraw/zinc/74/95/34/372749534.db2.gz SRWPHVJZCVNJIF-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO CC[C@H]([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000041014869 372802880 /nfs/dbraw/zinc/80/28/80/372802880.db2.gz DUDDSDQGCRTVHX-ZDUSSCGKSA-N 1 1 260.297 2.559 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000047934465 373133131 /nfs/dbraw/zinc/13/31/31/373133131.db2.gz YSAYZAJTEZVZBP-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000047934465 373133142 /nfs/dbraw/zinc/13/31/42/373133142.db2.gz YSAYZAJTEZVZBP-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048947801 373235444 /nfs/dbraw/zinc/23/54/44/373235444.db2.gz LYKUMFFCOGSXRQ-LLVKDONJSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049937515 373331814 /nfs/dbraw/zinc/33/18/14/373331814.db2.gz IYRPDCNTNZZHPF-UHFFFAOYSA-N 1 1 291.273 2.977 20 5 CFBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000051740884 373408898 /nfs/dbraw/zinc/40/88/98/373408898.db2.gz SVJAEZXFNQJOLQ-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO COCCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051455067 373398214 /nfs/dbraw/zinc/39/82/14/373398214.db2.gz CHUWOPFGUYFHGP-LLVKDONJSA-N 1 1 252.314 2.624 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054128049 373499453 /nfs/dbraw/zinc/49/94/53/373499453.db2.gz VUJAZBXEQRPGHU-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO COc1ccc(C[N@@H+](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000061164243 373713411 /nfs/dbraw/zinc/71/34/11/373713411.db2.gz QPPCZVBODOUXKN-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO Cc1noc(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000063550159 373809390 /nfs/dbraw/zinc/80/93/90/373809390.db2.gz GVEDDCKCEFBOAX-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000289539483 197395342 /nfs/dbraw/zinc/39/53/42/197395342.db2.gz QKEFNKANLZQEAE-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000067948943 374017093 /nfs/dbraw/zinc/01/70/93/374017093.db2.gz SPYQHEAZZMKVEF-LLVKDONJSA-N 1 1 267.304 2.630 20 5 CFBDMO CCCC[N@@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000068853046 374040981 /nfs/dbraw/zinc/04/09/81/374040981.db2.gz LEOGCSWPMOOYEO-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000070445060 374175233 /nfs/dbraw/zinc/17/52/33/374175233.db2.gz MKUVVVQTQMJFIT-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C ZINC000072874412 374297624 /nfs/dbraw/zinc/29/76/24/374297624.db2.gz VRKFCGXGISXWGI-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287516 374411645 /nfs/dbraw/zinc/41/16/45/374411645.db2.gz CPKCEYZBNYPJOH-CVEARBPZSA-N 1 1 292.379 2.763 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCSCC2)cc1 ZINC000089985592 374982651 /nfs/dbraw/zinc/98/26/51/374982651.db2.gz OVRDNIMCTTXGLG-UHFFFAOYSA-N 1 1 266.366 2.576 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092623054 375131193 /nfs/dbraw/zinc/13/11/93/375131193.db2.gz AJOQLADCACLKRQ-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000093214813 375198157 /nfs/dbraw/zinc/19/81/57/375198157.db2.gz HWODEEVOLQUFFW-DRZSPHRISA-N 1 1 263.341 2.515 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093337603 375215024 /nfs/dbraw/zinc/21/50/24/375215024.db2.gz QCAGSBCREHBACK-AWEZNQCLSA-N 1 1 278.352 2.762 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510140572 247195881 /nfs/dbraw/zinc/19/58/81/247195881.db2.gz SRFYFJFQXYAMQC-OKILXGFUSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1[nH+]cn(CCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000112980502 375980498 /nfs/dbraw/zinc/98/04/98/375980498.db2.gz NPOLEGKLLBEAKW-UHFFFAOYSA-N 1 1 275.308 2.877 20 5 CFBDMO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118842505 376319143 /nfs/dbraw/zinc/31/91/43/376319143.db2.gz GKYCXYICIJBVAK-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000118415435 376296001 /nfs/dbraw/zinc/29/60/01/376296001.db2.gz XHVNYGDVJSNQFP-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118415435 376296004 /nfs/dbraw/zinc/29/60/04/376296004.db2.gz XHVNYGDVJSNQFP-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000120071167 376541548 /nfs/dbraw/zinc/54/15/48/376541548.db2.gz WLIGBIUHQYIQHF-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000120071167 376541555 /nfs/dbraw/zinc/54/15/55/376541555.db2.gz WLIGBIUHQYIQHF-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO C[N@@H+](CCC1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000120624172 376653855 /nfs/dbraw/zinc/65/38/55/376653855.db2.gz OPJZXXKMXOHETB-UHFFFAOYSA-N 1 1 278.352 2.843 20 5 CFBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900527 376720191 /nfs/dbraw/zinc/72/01/91/376720191.db2.gz YFUBGVMOICRPAW-GXTWGEPZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123606247 376961550 /nfs/dbraw/zinc/96/15/50/376961550.db2.gz ZNXXPJCGUUGXDV-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000129636791 377454033 /nfs/dbraw/zinc/45/40/33/377454033.db2.gz BDUHQGMWPRSZFF-CYBMUJFWSA-N 1 1 292.383 2.688 20 5 CFBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000130801624 377614073 /nfs/dbraw/zinc/61/40/73/377614073.db2.gz POJZJEBDEYRLHB-NSHDSACASA-N 1 1 290.319 2.667 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)(C)C ZINC000134435055 378015425 /nfs/dbraw/zinc/01/54/25/378015425.db2.gz UKIIYOAWAPNARU-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336949 378120083 /nfs/dbraw/zinc/12/00/83/378120083.db2.gz TVLKDGYZLFLEQT-QWHCGFSZSA-N 1 1 280.372 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152791797 378448676 /nfs/dbraw/zinc/44/86/76/378448676.db2.gz ROSHUNWWTLZEIR-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO CC(C)OCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073843 378471908 /nfs/dbraw/zinc/47/19/08/378471908.db2.gz VVDOYFUTLPOWDH-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330498925 378571276 /nfs/dbraw/zinc/57/12/76/378571276.db2.gz FDSBUUNIOJZZJY-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330511207 378574598 /nfs/dbraw/zinc/57/45/98/378574598.db2.gz JTJSWFMJXMCKPG-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330511207 378574603 /nfs/dbraw/zinc/57/46/03/378574603.db2.gz JTJSWFMJXMCKPG-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331109986 378634686 /nfs/dbraw/zinc/63/46/86/378634686.db2.gz BGWANCKAVHYZSA-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331109986 378634689 /nfs/dbraw/zinc/63/46/89/378634689.db2.gz BGWANCKAVHYZSA-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280712 378662922 /nfs/dbraw/zinc/66/29/22/378662922.db2.gz IENSNNQDXICSKR-CKYFFXLPSA-N 1 1 284.381 2.638 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280712 378662925 /nfs/dbraw/zinc/66/29/25/378662925.db2.gz IENSNNQDXICSKR-CKYFFXLPSA-N 1 1 284.381 2.638 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160754539 378796751 /nfs/dbraw/zinc/79/67/51/378796751.db2.gz WEQJSGLLYOPVIN-ZBFHGGJFSA-N 1 1 290.363 2.722 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000161925395 378880604 /nfs/dbraw/zinc/88/06/04/378880604.db2.gz NSBSNYWKKLSACL-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000161925395 378880610 /nfs/dbraw/zinc/88/06/10/378880610.db2.gz NSBSNYWKKLSACL-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000161925535 378881054 /nfs/dbraw/zinc/88/10/54/378881054.db2.gz NSBSNYWKKLSACL-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000161925535 378881057 /nfs/dbraw/zinc/88/10/57/378881057.db2.gz NSBSNYWKKLSACL-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)[N@@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000171145789 379245154 /nfs/dbraw/zinc/24/51/54/379245154.db2.gz ZJADTHSJBNNABN-UHFFFAOYSA-N 1 1 280.368 2.968 20 5 CFBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000171682099 379371212 /nfs/dbraw/zinc/37/12/12/379371212.db2.gz HXXWRNLEPVQOIG-UHFFFAOYSA-N 1 1 292.335 2.836 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC000174808998 379945208 /nfs/dbraw/zinc/94/52/08/379945208.db2.gz SEZKOSRXUALREN-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174866136 379953038 /nfs/dbraw/zinc/95/30/38/379953038.db2.gz BADYLNFAULLCNJ-ZDUSSCGKSA-N 1 1 294.399 2.940 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000175106077 379998236 /nfs/dbraw/zinc/99/82/36/379998236.db2.gz MDDQMCVGQFJOFJ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000175106077 379998240 /nfs/dbraw/zinc/99/82/40/379998240.db2.gz MDDQMCVGQFJOFJ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](c1ccccc1F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211749 380196145 /nfs/dbraw/zinc/19/61/45/380196145.db2.gz BSCCKULIEZGVDV-LLVKDONJSA-N 1 1 292.314 2.623 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC(C)(C)C1 ZINC000177523743 380349842 /nfs/dbraw/zinc/34/98/42/380349842.db2.gz CXTZTBPSSACNBF-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC(C)(C)C1 ZINC000177523743 380349846 /nfs/dbraw/zinc/34/98/46/380349846.db2.gz CXTZTBPSSACNBF-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000179395027 380539631 /nfs/dbraw/zinc/53/96/31/380539631.db2.gz HMHWXKIOJPIKMA-LVDDQXARSA-N 1 1 276.336 2.719 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452115824 383747526 /nfs/dbraw/zinc/74/75/26/383747526.db2.gz MFNNIXQTDWGLFC-MRXNPFEDSA-N 1 1 291.395 2.552 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC(=O)CC1 ZINC000295342105 380798855 /nfs/dbraw/zinc/79/88/55/380798855.db2.gz NDMNSXQBMDUUFX-UHFFFAOYSA-N 1 1 290.363 2.828 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000182070116 380982147 /nfs/dbraw/zinc/98/21/47/380982147.db2.gz DPQLEGPBQJVICD-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000182070116 380982154 /nfs/dbraw/zinc/98/21/54/380982154.db2.gz DPQLEGPBQJVICD-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC23CCCCCC3)c1 ZINC000368404060 381014065 /nfs/dbraw/zinc/01/40/65/381014065.db2.gz UGPAQYLWDSFEJD-UHFFFAOYSA-N 1 1 292.383 2.980 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000289609987 381065494 /nfs/dbraw/zinc/06/54/94/381065494.db2.gz VRLUMEJHTWWBOV-UHFFFAOYSA-N 1 1 260.293 2.862 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000182228003 381032678 /nfs/dbraw/zinc/03/26/78/381032678.db2.gz ZGHAMHYTMYSFSY-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO CC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295795039 381080676 /nfs/dbraw/zinc/08/06/76/381080676.db2.gz BVSJSSXFQHADCX-SMDDNHRTSA-N 1 1 288.351 2.806 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000341555470 381084130 /nfs/dbraw/zinc/08/41/30/381084130.db2.gz AQZZKAICDCEHOB-AWEZNQCLSA-N 1 1 288.278 2.957 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC2(CC2)C1 ZINC000341566808 381092748 /nfs/dbraw/zinc/09/27/48/381092748.db2.gz QCHGJVKQAILGBN-HWKANZROSA-N 1 1 288.347 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOCC2(CC2)C1 ZINC000341566808 381092752 /nfs/dbraw/zinc/09/27/52/381092752.db2.gz QCHGJVKQAILGBN-HWKANZROSA-N 1 1 288.347 2.720 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@@H](C)O ZINC000347383687 381113295 /nfs/dbraw/zinc/11/32/95/381113295.db2.gz YSZPGPNVAYWOBM-KIWPFMIBSA-N 1 1 278.352 2.701 20 5 CFBDMO CC(C)OCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000354206629 381142210 /nfs/dbraw/zinc/14/22/10/381142210.db2.gz TZGZITGHMJUHJV-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000354206629 381142219 /nfs/dbraw/zinc/14/22/19/381142219.db2.gz TZGZITGHMJUHJV-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092484 381158121 /nfs/dbraw/zinc/15/81/21/381158121.db2.gz RDHPJRVIZCHICZ-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092484 381158126 /nfs/dbraw/zinc/15/81/26/381158126.db2.gz RDHPJRVIZCHICZ-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)s1 ZINC000347550922 381216613 /nfs/dbraw/zinc/21/66/13/381216613.db2.gz FTKSOPOICZIKIK-SECBINFHSA-N 1 1 294.380 2.857 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000290009421 381259334 /nfs/dbraw/zinc/25/93/34/381259334.db2.gz ZNHPUEVZILXIFM-CABCVRRESA-N 1 1 290.363 2.984 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296079522 381245597 /nfs/dbraw/zinc/24/55/97/381245597.db2.gz SLFLCDQAYDSSOM-YHWZYXNKSA-N 1 1 275.352 2.940 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342419738 381322873 /nfs/dbraw/zinc/32/28/73/381322873.db2.gz MQHCZLJVRSWIGX-LBPRGKRZSA-N 1 1 297.374 2.944 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342602295 381428036 /nfs/dbraw/zinc/42/80/36/381428036.db2.gz LXEBQALGWUDOCL-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000290622363 381501654 /nfs/dbraw/zinc/50/16/54/381501654.db2.gz XJGAKHMLEZKPAD-CQSZACIVSA-N 1 1 280.368 2.742 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000290760479 381541906 /nfs/dbraw/zinc/54/19/06/381541906.db2.gz UGNBVCCUYSHTAP-LLVKDONJSA-N 1 1 251.330 2.735 20 5 CFBDMO C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290811628 381560388 /nfs/dbraw/zinc/56/03/88/381560388.db2.gz REHYAPKFXFLKQA-UWVGGRQHSA-N 1 1 279.315 2.771 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355193808 381668828 /nfs/dbraw/zinc/66/88/28/381668828.db2.gz FIQMGLSOIOLJMF-CJNGLKHVSA-N 1 1 292.379 2.921 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355203325 381674424 /nfs/dbraw/zinc/67/44/24/381674424.db2.gz DUDNOLFIRJESDV-ZFWWWQNUSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348712073 381680664 /nfs/dbraw/zinc/68/06/64/381680664.db2.gz HIKUVLWMIOXEGE-YQCJOKCJSA-N 1 1 278.352 2.701 20 5 CFBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000291139703 381680684 /nfs/dbraw/zinc/68/06/84/381680684.db2.gz CSITXKRJQILUPC-UHFFFAOYSA-N 1 1 293.367 2.562 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000355232461 381693510 /nfs/dbraw/zinc/69/35/10/381693510.db2.gz CUEFURHLYWYSAU-CABCVRRESA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291280949 381735224 /nfs/dbraw/zinc/73/52/24/381735224.db2.gz ORIDWMSFRPCPQL-YFCVBGDOSA-N 1 1 298.346 2.752 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291322248 381747980 /nfs/dbraw/zinc/74/79/80/381747980.db2.gz STZHKAFYNMWQKV-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000360047435 381749335 /nfs/dbraw/zinc/74/93/35/381749335.db2.gz LHCMDKLLJLSVGN-RYUDHWBXSA-N 1 1 295.358 2.961 20 5 CFBDMO NC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071571 381756560 /nfs/dbraw/zinc/75/65/60/381756560.db2.gz WOYFIDXKKMJZMF-FUVBFXSKSA-N 1 1 289.379 2.715 20 5 CFBDMO CC(C)(C)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372334149 381790912 /nfs/dbraw/zinc/79/09/12/381790912.db2.gz ZEVGFAHZRBEFOJ-LBPRGKRZSA-N 1 1 280.372 2.864 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C4CC4)C3)nc2c1 ZINC000372337201 381793503 /nfs/dbraw/zinc/79/35/03/381793503.db2.gz BOQQSNYEKRHCSO-NSHDSACASA-N 1 1 287.319 2.968 20 5 CFBDMO CC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343518662 381767621 /nfs/dbraw/zinc/76/76/21/381767621.db2.gz MHVSYWNBRUVASX-GXFFZTMASA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1Cl ZINC000292904008 381895718 /nfs/dbraw/zinc/89/57/18/381895718.db2.gz AQFMLUNIWORDMT-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1Cl ZINC000292904008 381895726 /nfs/dbraw/zinc/89/57/26/381895726.db2.gz AQFMLUNIWORDMT-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC23CCC3)c1 ZINC000373100220 381926014 /nfs/dbraw/zinc/92/60/14/381926014.db2.gz QQUBRYJESOMIER-AWEZNQCLSA-N 1 1 276.336 2.647 20 5 CFBDMO Cc1nocc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293027938 381957555 /nfs/dbraw/zinc/95/75/55/381957555.db2.gz RIMBXWYMSNSVCA-UHFFFAOYSA-N 1 1 275.308 2.916 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1Cn1cc[nH+]c1C(C)C ZINC000362338872 382014311 /nfs/dbraw/zinc/01/43/11/382014311.db2.gz HEMDVIVPIPMFBM-UHFFFAOYSA-N 1 1 275.308 2.972 20 5 CFBDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357030522 381975949 /nfs/dbraw/zinc/97/59/49/381975949.db2.gz DWUKICUUTZWVSQ-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000344015894 382070133 /nfs/dbraw/zinc/07/01/33/382070133.db2.gz YOFDCYWLKQQIEF-LLVKDONJSA-N 1 1 264.300 2.966 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000344021711 382072600 /nfs/dbraw/zinc/07/26/00/382072600.db2.gz QJBVUAQJWZUYBI-ZDUSSCGKSA-N 1 1 276.336 2.706 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000344026845 382076882 /nfs/dbraw/zinc/07/68/82/382076882.db2.gz JECPEFRCYLQKLL-AWEZNQCLSA-N 1 1 260.337 2.869 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301087807 382079940 /nfs/dbraw/zinc/07/99/40/382079940.db2.gz KDPSFVQVLBUZBD-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000301554749 382175448 /nfs/dbraw/zinc/17/54/48/382175448.db2.gz IETAMMJYAKCBQM-OAHLLOKOSA-N 1 1 277.368 2.680 20 5 CFBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301604427 382180535 /nfs/dbraw/zinc/18/05/35/382180535.db2.gz LUUANWIGOJOQMH-CYBMUJFWSA-N 1 1 277.368 2.985 20 5 CFBDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222790 382209043 /nfs/dbraw/zinc/20/90/43/382209043.db2.gz UWAMKKAWACQVIA-HNNXBMFYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222790 382209056 /nfs/dbraw/zinc/20/90/56/382209056.db2.gz UWAMKKAWACQVIA-HNNXBMFYSA-N 1 1 291.351 2.655 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177416 382209457 /nfs/dbraw/zinc/20/94/57/382209457.db2.gz BKSOCGCWPOOHHF-ZDUSSCGKSA-N 1 1 295.314 2.547 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419332513 382289881 /nfs/dbraw/zinc/28/98/81/382289881.db2.gz SQLSZASRBJSCAF-RYUDHWBXSA-N 1 1 294.399 2.975 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000377652615 382312454 /nfs/dbraw/zinc/31/24/54/382312454.db2.gz OCVMDUKDDSQEDB-MRXNPFEDSA-N 1 1 292.379 2.744 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000352414613 382319774 /nfs/dbraw/zinc/31/97/74/382319774.db2.gz UMSIPRIPIVJIHE-UONOGXRCSA-N 1 1 298.289 2.530 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817558 382324895 /nfs/dbraw/zinc/32/48/95/382324895.db2.gz MQZNIRAXWALJOB-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352424306 382325574 /nfs/dbraw/zinc/32/55/74/382325574.db2.gz FAXYXHCXWOMKKL-LBPRGKRZSA-N 1 1 294.351 2.849 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187918517 382295908 /nfs/dbraw/zinc/29/59/08/382295908.db2.gz GEDIOYFVSRSUAY-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000378164219 382411271 /nfs/dbraw/zinc/41/12/71/382411271.db2.gz LVKOEXLFIHQVTA-BTKRWWFXSA-N 1 1 298.346 2.998 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701979 382449322 /nfs/dbraw/zinc/44/93/22/382449322.db2.gz WYWLOWNEXKBAFK-LERXQTSPSA-N 1 1 264.325 2.501 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]12CCOC2 ZINC000421399979 382517598 /nfs/dbraw/zinc/51/75/98/382517598.db2.gz JDDXKVVFBODUFG-RCBBPTIPSA-N 1 1 288.347 2.863 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421401558 382519078 /nfs/dbraw/zinc/51/90/78/382519078.db2.gz CPDHGGUMAHHRKI-SBJJXXPASA-N 1 1 289.379 2.634 20 5 CFBDMO Cc1[nH+]c2c(n1CC(=O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000317964522 382531486 /nfs/dbraw/zinc/53/14/86/382531486.db2.gz SJKYYKCVFNUROW-UHFFFAOYSA-N 1 1 299.330 2.861 20 5 CFBDMO Cc1c(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000191274636 382697446 /nfs/dbraw/zinc/69/74/46/382697446.db2.gz NRYXVYJKWNUNBO-BVUQATHDSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191651882 382701756 /nfs/dbraw/zinc/70/17/56/382701756.db2.gz DODCKIAIKRUMLW-INIZCTEOSA-N 1 1 292.379 2.968 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000192469507 382709294 /nfs/dbraw/zinc/70/92/94/382709294.db2.gz IMUUGTPXMNZAOO-NSHDSACASA-N 1 1 296.396 2.728 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000193952505 382730768 /nfs/dbraw/zinc/73/07/68/382730768.db2.gz MLROGZYVMCZQDW-UHFFFAOYSA-N 1 1 279.296 2.735 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000217363788 382785912 /nfs/dbraw/zinc/78/59/12/382785912.db2.gz ZIWATRNRFCKESX-ZFWWWQNUSA-N 1 1 275.352 2.942 20 5 CFBDMO CC(C)[C@H]1CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337050462 382756031 /nfs/dbraw/zinc/75/60/31/382756031.db2.gz RFCLHNZIEGXWKZ-CYBMUJFWSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317698 382846615 /nfs/dbraw/zinc/84/66/15/382846615.db2.gz IPXFBSXSZPMZRJ-YWPYICTPSA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317698 382846622 /nfs/dbraw/zinc/84/66/22/382846622.db2.gz IPXFBSXSZPMZRJ-YWPYICTPSA-N 1 1 291.395 2.722 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231398 382852714 /nfs/dbraw/zinc/85/27/14/382852714.db2.gz JXVPZBYRQIRFFR-HNNXBMFYSA-N 1 1 291.395 2.904 20 5 CFBDMO CCCN(CC)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231398 382852716 /nfs/dbraw/zinc/85/27/16/382852716.db2.gz JXVPZBYRQIRFFR-HNNXBMFYSA-N 1 1 291.395 2.904 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000227685408 382839523 /nfs/dbraw/zinc/83/95/23/382839523.db2.gz MSRUMTVZHYJLEN-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000227685408 382839524 /nfs/dbraw/zinc/83/95/24/382839524.db2.gz MSRUMTVZHYJLEN-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000441343659 382908994 /nfs/dbraw/zinc/90/89/94/382908994.db2.gz WJXFGGDKQKWRIY-AAEUAGOBSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441345252 382909018 /nfs/dbraw/zinc/90/90/18/382909018.db2.gz GLQOOTRGLZPIJY-BXUZGUMPSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[C@H](F)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363331 383005671 /nfs/dbraw/zinc/00/56/71/383005671.db2.gz UBNUVAVNKKIXLK-LBPRGKRZSA-N 1 1 254.305 2.817 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447817076 383011610 /nfs/dbraw/zinc/01/16/10/383011610.db2.gz OGZISLOWAUFEJC-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO [NH3+][C@@H]1C[C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017760 383014232 /nfs/dbraw/zinc/01/42/32/383014232.db2.gz XAVCHFYMDYZJRM-SJORKVTESA-N 1 1 297.358 2.872 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC=CCC1 ZINC000338709643 383029621 /nfs/dbraw/zinc/02/96/21/383029621.db2.gz FAMBLNBCJFRQKK-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CCOc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338795456 383053909 /nfs/dbraw/zinc/05/39/09/383053909.db2.gz PLSPFCYSYFYJNU-TXEJJXNPSA-N 1 1 293.367 2.522 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002255 383121784 /nfs/dbraw/zinc/12/17/84/383121784.db2.gz YFYKVWQFKZWBSH-YVARQFDVSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@@H]1CCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002255 383121787 /nfs/dbraw/zinc/12/17/87/383121787.db2.gz YFYKVWQFKZWBSH-YVARQFDVSA-N 1 1 289.379 2.539 20 5 CFBDMO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2F)c([N+](=O)[O-])cc1OC ZINC000339587718 383255689 /nfs/dbraw/zinc/25/56/89/383255689.db2.gz SDSNHNVQPQDRTF-WDEREUQCSA-N 1 1 298.314 2.592 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000567487277 383281612 /nfs/dbraw/zinc/28/16/12/383281612.db2.gz IHNMVTIOVSSGGY-UHFFFAOYSA-N 1 1 275.283 2.858 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](O)CC1 ZINC000339780251 383315803 /nfs/dbraw/zinc/31/58/03/383315803.db2.gz QWFXNKIBPGGAOF-JTQLQIEISA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000339780251 383315805 /nfs/dbraw/zinc/31/58/05/383315805.db2.gz QWFXNKIBPGGAOF-JTQLQIEISA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000252443104 383408212 /nfs/dbraw/zinc/40/82/12/383408212.db2.gz PJGZETOIVFOVJW-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000252443104 383408217 /nfs/dbraw/zinc/40/82/17/383408217.db2.gz PJGZETOIVFOVJW-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674578 383427795 /nfs/dbraw/zinc/42/77/95/383427795.db2.gz SJFHPLCHIYPGSX-QWRGUYRKSA-N 1 1 279.315 2.773 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000255024701 383474130 /nfs/dbraw/zinc/47/41/30/383474130.db2.gz YNCCAVMSIWKZJZ-AGLBCWCQSA-N 1 1 276.336 2.576 20 5 CFBDMO CC(C)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487046741 383476907 /nfs/dbraw/zinc/47/69/07/383476907.db2.gz NGSPYABNZPGCOR-CQSZACIVSA-N 1 1 281.331 2.510 20 5 CFBDMO Cc1c(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488002907 383486996 /nfs/dbraw/zinc/48/69/96/383486996.db2.gz CPCYBONKWXKFCT-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450953012 383566413 /nfs/dbraw/zinc/56/64/13/383566413.db2.gz WIMMEUMQCPCTKY-GFCCVEGCSA-N 1 1 281.331 2.653 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489850794 383639589 /nfs/dbraw/zinc/63/95/89/383639589.db2.gz XLQUXAUIRZMVNN-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3(O)CCC3)C2)cc1 ZINC000451552714 383644776 /nfs/dbraw/zinc/64/47/76/383644776.db2.gz XDRVKARILFHUGA-AWEZNQCLSA-N 1 1 290.363 2.689 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(O)CCC3)C2)cc1 ZINC000451552716 383645427 /nfs/dbraw/zinc/64/54/27/383645427.db2.gz XDRVKARILFHUGA-CQSZACIVSA-N 1 1 290.363 2.689 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000453225378 383808017 /nfs/dbraw/zinc/80/80/17/383808017.db2.gz OBRUPDPGDQQJNF-WDEREUQCSA-N 1 1 272.308 2.797 20 5 CFBDMO CCCC[N@@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436395886 383811709 /nfs/dbraw/zinc/81/17/09/383811709.db2.gz YFNVRWVJHUFPCO-UHFFFAOYSA-N 1 1 292.383 2.707 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000531381598 383858839 /nfs/dbraw/zinc/85/88/39/383858839.db2.gz QQKKNRZMWQFNRY-RDBSUJKOSA-N 1 1 292.383 2.692 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000573353880 383916101 /nfs/dbraw/zinc/91/61/01/383916101.db2.gz GFCCPFPJMBUFOF-LBPRGKRZSA-N 1 1 290.367 2.503 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265366256 383902763 /nfs/dbraw/zinc/90/27/63/383902763.db2.gz HLRXETVGBOPXDK-UHFFFAOYSA-N 1 1 297.786 2.776 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265896167 384026768 /nfs/dbraw/zinc/02/67/68/384026768.db2.gz SWKOMKJPCRKWRM-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598015 384110501 /nfs/dbraw/zinc/11/05/01/384110501.db2.gz MTGSIUXXVSQRMI-ISVAXAHUSA-N 1 1 297.305 2.768 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000574884377 384160385 /nfs/dbraw/zinc/16/03/85/384160385.db2.gz OQJBOFYXVOYZQM-UHFFFAOYSA-N 1 1 278.352 2.903 20 5 CFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000266939478 384266051 /nfs/dbraw/zinc/26/60/51/384266051.db2.gz VZIRMLPDRABALO-UHFFFAOYSA-N 1 1 294.380 2.763 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267085869 384297173 /nfs/dbraw/zinc/29/71/73/384297173.db2.gz ZHUNYIJDCLZIMA-UHFFFAOYSA-N 1 1 295.358 2.650 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000355141878 285112669 /nfs/dbraw/zinc/11/26/69/285112669.db2.gz YSRRSTIFYQPXCK-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO Cn1cccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289389144 197325031 /nfs/dbraw/zinc/32/50/31/197325031.db2.gz NIBYJAQSXHTSRY-UHFFFAOYSA-N 1 1 273.336 2.608 20 5 CFBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289385025 197322901 /nfs/dbraw/zinc/32/29/01/197322901.db2.gz DAJGKNMOXBQUOP-LLVKDONJSA-N 1 1 290.319 2.667 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143469 384542941 /nfs/dbraw/zinc/54/29/41/384542941.db2.gz LDKFIUMXYXIEOH-YMTOWFKASA-N 1 1 279.315 2.629 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000289337455 197302393 /nfs/dbraw/zinc/30/23/93/197302393.db2.gz HLNLCFZVSIRTMY-OKILXGFUSA-N 1 1 264.325 2.512 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662460 384825214 /nfs/dbraw/zinc/82/52/14/384825214.db2.gz KPEPEULEBSFPLS-FZMZJTMJSA-N 1 1 266.341 2.605 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692320 384837696 /nfs/dbraw/zinc/83/76/96/384837696.db2.gz VMBJPYDLRAHVRZ-GJZGRUSLSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269628704 384810484 /nfs/dbraw/zinc/81/04/84/384810484.db2.gz KLFWPPGGHNBXLM-SNVBAGLBSA-N 1 1 299.321 2.651 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628059 384810984 /nfs/dbraw/zinc/81/09/84/384810984.db2.gz DFHKKXUMJCEMLP-TYNCELHUSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628055 384811019 /nfs/dbraw/zinc/81/10/19/384811019.db2.gz DFHKKXUMJCEMLP-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000088606096 285142019 /nfs/dbraw/zinc/14/20/19/285142019.db2.gz NRTRMMSKHHQAAI-HNNXBMFYSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000088606096 285142021 /nfs/dbraw/zinc/14/20/21/285142021.db2.gz NRTRMMSKHHQAAI-HNNXBMFYSA-N 1 1 276.336 2.522 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000280725023 385128795 /nfs/dbraw/zinc/12/87/95/385128795.db2.gz YKNHXYCFWPDACE-WBMJQRKESA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000280725023 385128800 /nfs/dbraw/zinc/12/88/00/385128800.db2.gz YKNHXYCFWPDACE-WBMJQRKESA-N 1 1 290.363 2.903 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949006 285153370 /nfs/dbraw/zinc/15/33/70/285153370.db2.gz QEJOXYJAEJFJAN-DLBZAZTESA-N 1 1 298.342 2.903 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000282193946 385243907 /nfs/dbraw/zinc/24/39/07/385243907.db2.gz HNJSENWGBYAHNP-CYBMUJFWSA-N 1 1 290.367 2.606 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282363746 385293729 /nfs/dbraw/zinc/29/37/29/385293729.db2.gz NMIWUJMQNUZKAI-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282363746 385293735 /nfs/dbraw/zinc/29/37/35/385293735.db2.gz NMIWUJMQNUZKAI-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282402329 385301943 /nfs/dbraw/zinc/30/19/43/385301943.db2.gz FJNQKDGMZKIMHL-LBPRGKRZSA-N 1 1 284.331 2.573 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283238758 385448793 /nfs/dbraw/zinc/44/87/93/385448793.db2.gz UPNRTUGWYOVOOY-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])n(C)n1 ZINC000283962582 385517860 /nfs/dbraw/zinc/51/78/60/385517860.db2.gz NFJVZESSTSDSDX-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272365744 385519829 /nfs/dbraw/zinc/51/98/29/385519829.db2.gz SWRYJTGPQACFLO-UKRRQHHQSA-N 1 1 292.379 2.824 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1=CCCCC1)CC2 ZINC000450694339 285184002 /nfs/dbraw/zinc/18/40/02/285184002.db2.gz OEMUIGYVYFMBNB-UHFFFAOYSA-N 1 1 273.336 2.848 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000272597315 385571864 /nfs/dbraw/zinc/57/18/64/385571864.db2.gz UOBTWGWMIKLMJU-ZBFHGGJFSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000272900513 385647777 /nfs/dbraw/zinc/64/77/77/385647777.db2.gz IPNIVDMHEOZYRQ-SNVBAGLBSA-N 1 1 279.315 2.796 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000287116829 385783778 /nfs/dbraw/zinc/78/37/78/385783778.db2.gz YVFAOKVSQQBILE-UHFFFAOYSA-N 1 1 294.351 2.603 20 5 CFBDMO COCC1=CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275031839 385916041 /nfs/dbraw/zinc/91/60/41/385916041.db2.gz WIPJTDOWFJSSSG-LBPRGKRZSA-N 1 1 276.336 2.934 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276892586 386072398 /nfs/dbraw/zinc/07/23/98/386072398.db2.gz GOVCYQUIKTUPPR-NSHDSACASA-N 1 1 299.330 2.815 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976063 386098026 /nfs/dbraw/zinc/09/80/26/386098026.db2.gz XQBDHKQPQXVCKV-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000276984361 386098888 /nfs/dbraw/zinc/09/88/88/386098888.db2.gz YXAKPNAIORULNO-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426459377 533219513 /nfs/dbraw/zinc/21/95/13/533219513.db2.gz KKNHXJFPPDBXOI-SMDDNHRTSA-N 1 1 276.336 2.978 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281703265 195344386 /nfs/dbraw/zinc/34/43/86/195344386.db2.gz NXYDVMWNEWCJFD-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)on1 ZINC000282535378 195638259 /nfs/dbraw/zinc/63/82/59/195638259.db2.gz VLDRLULIEKZAEJ-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000426483214 533570157 /nfs/dbraw/zinc/57/01/57/533570157.db2.gz OGWCDHAUDQHIPO-OLZOCXBDSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000192173309 130386334 /nfs/dbraw/zinc/38/63/34/130386334.db2.gz POEJUHSIIDSHEO-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192183118 130390917 /nfs/dbraw/zinc/39/09/17/130390917.db2.gz NDLSIZFOIHOKSP-LBPRGKRZSA-N 1 1 280.393 2.965 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)CC1 ZINC000192192497 130392071 /nfs/dbraw/zinc/39/20/71/130392071.db2.gz ZEYPPZYNOUSDCS-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248347921 131114326 /nfs/dbraw/zinc/11/43/26/131114326.db2.gz NYXSHNAERDONJO-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344575 131115165 /nfs/dbraw/zinc/11/51/65/131115165.db2.gz LTUUSSNXXIEVOH-GRYCIOLGSA-N 1 1 291.351 2.652 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370153 131121332 /nfs/dbraw/zinc/12/13/32/131121332.db2.gz ADUDLOGLTKLQOT-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370153 131121335 /nfs/dbraw/zinc/12/13/35/131121335.db2.gz ADUDLOGLTKLQOT-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000269070662 132107834 /nfs/dbraw/zinc/10/78/34/132107834.db2.gz ZXXARTKZAGRDHM-WCQYABFASA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726919 393477257 /nfs/dbraw/zinc/47/72/57/393477257.db2.gz VMOSMAJLTHTQBS-KBPBESRZSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000374990976 393504389 /nfs/dbraw/zinc/50/43/89/393504389.db2.gz VZMMFDXGRNKZLV-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000378269788 393544585 /nfs/dbraw/zinc/54/45/85/393544585.db2.gz ISVKDKSVYGJIIG-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996371 393526762 /nfs/dbraw/zinc/52/67/62/393526762.db2.gz LXDZQASNPCSFGC-APHBMKBZSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996371 393526764 /nfs/dbraw/zinc/52/67/64/393526764.db2.gz LXDZQASNPCSFGC-APHBMKBZSA-N 1 1 289.379 2.872 20 5 CFBDMO CC(C)C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C ZINC000037562657 393532341 /nfs/dbraw/zinc/53/23/41/393532341.db2.gz LZMIZBJDVRSTAK-LBPRGKRZSA-N 1 1 285.413 2.722 20 5 CFBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377710906 393534709 /nfs/dbraw/zinc/53/47/09/393534709.db2.gz XDKKJQLPRMYBPN-UHFFFAOYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200912 393554824 /nfs/dbraw/zinc/55/48/24/393554824.db2.gz VIBPWTIPVDDWLS-OCCSQVGLSA-N 1 1 278.352 2.578 20 5 CFBDMO CN(C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593185 393627039 /nfs/dbraw/zinc/62/70/39/393627039.db2.gz YOOPFBICHRQZJH-HNNXBMFYSA-N 1 1 277.368 2.514 20 5 CFBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083415328 393743512 /nfs/dbraw/zinc/74/35/12/393743512.db2.gz KGCCJPICHLFTEU-UHFFFAOYSA-N 1 1 280.393 2.965 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411280024 393693621 /nfs/dbraw/zinc/69/36/21/393693621.db2.gz DDMLESRLVMNDCY-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470201641 393898879 /nfs/dbraw/zinc/89/88/79/393898879.db2.gz IPYWKDHZZYNSEF-RCBBPTIPSA-N 1 1 290.363 2.845 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805143 393917186 /nfs/dbraw/zinc/91/71/86/393917186.db2.gz PQSNGQQNHDWWFV-DGCLKSJQSA-N 1 1 278.352 2.673 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430130529 393961018 /nfs/dbraw/zinc/96/10/18/393961018.db2.gz KEUCOENPVIJWDN-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000430194758 393966291 /nfs/dbraw/zinc/96/62/91/393966291.db2.gz KSSCGXLYPYLFMF-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000430236563 393971273 /nfs/dbraw/zinc/97/12/73/393971273.db2.gz NTHHYNJMUQCSAW-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1=C[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430269116 393976161 /nfs/dbraw/zinc/97/61/61/393976161.db2.gz MSRCKFRYQGROTO-JTQLQIEISA-N 1 1 286.335 2.869 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430269116 393976165 /nfs/dbraw/zinc/97/61/65/393976165.db2.gz MSRCKFRYQGROTO-JTQLQIEISA-N 1 1 286.335 2.869 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123557682 393983946 /nfs/dbraw/zinc/98/39/46/393983946.db2.gz GBMNUPLUSIDMCR-CYBMUJFWSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996965 393999180 /nfs/dbraw/zinc/99/91/80/393999180.db2.gz ICZMUSOUUHCTFD-WQGACYEGSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996965 393999185 /nfs/dbraw/zinc/99/91/85/393999185.db2.gz ICZMUSOUUHCTFD-WQGACYEGSA-N 1 1 289.379 2.728 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000439490188 394120536 /nfs/dbraw/zinc/12/05/36/394120536.db2.gz GPBRCDBGUPVNGA-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCCC2)c1 ZINC000131318703 394130091 /nfs/dbraw/zinc/13/00/91/394130091.db2.gz WSQYOHCRYJVQAW-UHFFFAOYSA-N 1 1 272.251 2.792 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821783 394151295 /nfs/dbraw/zinc/15/12/95/394151295.db2.gz VOJSTYFZSSFFPU-MNOVXSKESA-N 1 1 252.314 2.623 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421005901 394154425 /nfs/dbraw/zinc/15/44/25/394154425.db2.gz AQQUEKCDPFOXBD-GFCCVEGCSA-N 1 1 296.342 2.718 20 5 CFBDMO Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363621421 394198130 /nfs/dbraw/zinc/19/81/30/394198130.db2.gz BTLYGSXBZNWRSG-CQSZACIVSA-N 1 1 275.352 2.578 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287763543 394209412 /nfs/dbraw/zinc/20/94/12/394209412.db2.gz MJBXMOKJFXGFIJ-LLVKDONJSA-N 1 1 296.342 2.859 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC1CC1)C1CC1 ZINC000135241209 394214375 /nfs/dbraw/zinc/21/43/75/394214375.db2.gz MHECCDNKCYSLMT-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC1CC1)C1CC1 ZINC000135241209 394214381 /nfs/dbraw/zinc/21/43/81/394214381.db2.gz MHECCDNKCYSLMT-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1cc(N[C@H]2C[N@H+](C)Cc3ccccc32)ncc1[N+](=O)[O-] ZINC000363449712 394195836 /nfs/dbraw/zinc/19/58/36/394195836.db2.gz MPTUOWMUZRJZCZ-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105599 394267596 /nfs/dbraw/zinc/26/75/96/394267596.db2.gz UNGBEMAHXUZUDS-JQWIXIFHSA-N 1 1 286.335 2.526 20 5 CFBDMO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604366 394275365 /nfs/dbraw/zinc/27/53/65/394275365.db2.gz MMURYRNEKGXLQV-NHYWBVRUSA-N 1 1 293.342 2.573 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153586805 394286642 /nfs/dbraw/zinc/28/66/42/394286642.db2.gz ILPLGLRRXFRRBR-SNVBAGLBSA-N 1 1 298.774 2.930 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581389 394335661 /nfs/dbraw/zinc/33/56/61/394335661.db2.gz NSWIAUXZTRSCDL-DYEKYZERSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581389 394335664 /nfs/dbraw/zinc/33/56/64/394335664.db2.gz NSWIAUXZTRSCDL-DYEKYZERSA-N 1 1 277.368 2.728 20 5 CFBDMO Cn1cccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000156779612 394338568 /nfs/dbraw/zinc/33/85/68/394338568.db2.gz CCZWLHCSQQTBCT-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO Cn1cccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000156779612 394338569 /nfs/dbraw/zinc/33/85/69/394338569.db2.gz CCZWLHCSQQTBCT-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO CCc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453371562 394391894 /nfs/dbraw/zinc/39/18/94/394391894.db2.gz NQHZVCYIISMTAM-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO C[C@]1(F)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451123149 394360865 /nfs/dbraw/zinc/36/08/65/394360865.db2.gz UMUOYBFGABDQEZ-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@]1(F)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451123149 394360866 /nfs/dbraw/zinc/36/08/66/394360866.db2.gz UMUOYBFGABDQEZ-AWEZNQCLSA-N 1 1 282.315 2.798 20 5 CFBDMO COC[C@@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451204326 394368388 /nfs/dbraw/zinc/36/83/88/394368388.db2.gz WLNVXGBUCJNEJA-AWEZNQCLSA-N 1 1 282.315 2.592 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451204326 394368389 /nfs/dbraw/zinc/36/83/89/394368389.db2.gz WLNVXGBUCJNEJA-AWEZNQCLSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514176834 394369031 /nfs/dbraw/zinc/36/90/31/394369031.db2.gz WOOOGNRSSWVIFC-FZMZJTMJSA-N 1 1 275.352 2.798 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000177892189 394385218 /nfs/dbraw/zinc/38/52/18/394385218.db2.gz RWWISAYIWSOJIN-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000536357381 394555236 /nfs/dbraw/zinc/55/52/36/394555236.db2.gz ZEJLZFXGLYQXEQ-AVGNSLFASA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000548097831 394911220 /nfs/dbraw/zinc/91/12/20/394911220.db2.gz CQTAKANUFGZKGW-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000548097831 394911226 /nfs/dbraw/zinc/91/12/26/394911226.db2.gz CQTAKANUFGZKGW-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO CC(C)C[C@@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554889719 394962107 /nfs/dbraw/zinc/96/21/07/394962107.db2.gz HSPXXKHLVPRAHM-LYASGUKUSA-N 1 1 292.379 2.947 20 5 CFBDMO COc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000558598520 395065726 /nfs/dbraw/zinc/06/57/26/395065726.db2.gz CYFJNQITGBYJOT-JTQLQIEISA-N 1 1 299.346 2.883 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000307761975 397645371 /nfs/dbraw/zinc/64/53/71/397645371.db2.gz BSKLYUPHHDTADQ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000307761975 397645376 /nfs/dbraw/zinc/64/53/76/397645376.db2.gz BSKLYUPHHDTADQ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000450548181 292286895 /nfs/dbraw/zinc/28/68/95/292286895.db2.gz QOXZFIRATBMMST-CYBMUJFWSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452071783 292296583 /nfs/dbraw/zinc/29/65/83/292296583.db2.gz RZSMUPHHMYBWRD-JKOKRWQUSA-N 1 1 278.352 2.667 20 5 CFBDMO CC[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343266111 154160632 /nfs/dbraw/zinc/16/06/32/154160632.db2.gz QRNMCFWKLCCATA-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343266110 154161081 /nfs/dbraw/zinc/16/10/81/154161081.db2.gz QRNMCFWKLCCATA-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000348166157 154346422 /nfs/dbraw/zinc/34/64/22/154346422.db2.gz FUMRVZFHERPPDG-CHWSQXEVSA-N 1 1 292.383 2.607 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCC1CCCCC1 ZINC000355545806 155036915 /nfs/dbraw/zinc/03/69/15/155036915.db2.gz PHKRVOKMHWXTHT-UHFFFAOYSA-N 1 1 280.372 2.731 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCC1CCCCC1 ZINC000355545806 155036919 /nfs/dbraw/zinc/03/69/19/155036919.db2.gz PHKRVOKMHWXTHT-UHFFFAOYSA-N 1 1 280.372 2.731 20 5 CFBDMO CC(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000355548499 155038207 /nfs/dbraw/zinc/03/82/07/155038207.db2.gz SZOPXEDFHWLPHB-UHFFFAOYSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCCCCF)C2)c1 ZINC000367080785 156278781 /nfs/dbraw/zinc/27/87/81/156278781.db2.gz OATNFYKDGINJJW-LBPRGKRZSA-N 1 1 284.335 2.568 20 5 CFBDMO Cc1c(C[N@@H+]2CCOCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000367655984 156373057 /nfs/dbraw/zinc/37/30/57/156373057.db2.gz FGAVVYOFNVBXDL-NSHDSACASA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCOCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000367699278 156377809 /nfs/dbraw/zinc/37/78/09/156377809.db2.gz HKHGFOJJRODKBV-LBPRGKRZSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408323554 157392198 /nfs/dbraw/zinc/39/21/98/157392198.db2.gz ZMINSPLYFBVEJP-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@H+]2CCOC(C)(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408323554 157392201 /nfs/dbraw/zinc/39/22/01/157392201.db2.gz ZMINSPLYFBVEJP-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000344040801 161922431 /nfs/dbraw/zinc/92/24/31/161922431.db2.gz XGKFKBGMPIAHLG-ZDUSSCGKSA-N 1 1 276.336 2.706 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000344375081 162027919 /nfs/dbraw/zinc/02/79/19/162027919.db2.gz JGVCGUJAMBDBKO-OAHLLOKOSA-N 1 1 290.294 2.557 20 5 CFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344410506 162037962 /nfs/dbraw/zinc/03/79/62/162037962.db2.gz AYMXQMFNCKCYJO-GFCCVEGCSA-N 1 1 292.383 2.912 20 5 CFBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344421816 162040523 /nfs/dbraw/zinc/04/05/23/162040523.db2.gz PRNULPFIEILHJA-UHFFFAOYSA-N 1 1 292.383 2.691 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000344931340 162149799 /nfs/dbraw/zinc/14/97/99/162149799.db2.gz QUTXVFSMQZOGEY-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO Cc1c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000345355455 162234269 /nfs/dbraw/zinc/23/42/69/162234269.db2.gz MCUBRBNBXJMWGR-MFKMUULPSA-N 1 1 286.335 2.895 20 5 CFBDMO CCC[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000346300338 162375718 /nfs/dbraw/zinc/37/57/18/162375718.db2.gz PSYKEKFMYYDQSE-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352676050 163221070 /nfs/dbraw/zinc/22/10/70/163221070.db2.gz SQVMZDUXYWMQQW-HONMWMINSA-N 1 1 264.325 2.501 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352685294 163223039 /nfs/dbraw/zinc/22/30/39/163223039.db2.gz TULOIMVNEHYPMF-CYBMUJFWSA-N 1 1 252.289 2.964 20 5 CFBDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352685294 163223042 /nfs/dbraw/zinc/22/30/42/163223042.db2.gz TULOIMVNEHYPMF-CYBMUJFWSA-N 1 1 252.289 2.964 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353032087 163293155 /nfs/dbraw/zinc/29/31/55/163293155.db2.gz WUVNBLLUJHOOEX-JTQLQIEISA-N 1 1 286.278 2.656 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000353408729 163359794 /nfs/dbraw/zinc/35/97/94/163359794.db2.gz VAPGOPZNGMXGHH-OFQRWUPVSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000353408729 163359796 /nfs/dbraw/zinc/35/97/96/163359796.db2.gz VAPGOPZNGMXGHH-OFQRWUPVSA-N 1 1 289.379 2.557 20 5 CFBDMO Cc1ccncc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353462013 163369509 /nfs/dbraw/zinc/36/95/09/163369509.db2.gz TVLYCNZWZUZVOL-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccncc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353462013 163369512 /nfs/dbraw/zinc/36/95/12/163369512.db2.gz TVLYCNZWZUZVOL-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO C[C@@H](NCC(C)(C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037177064 287016559 /nfs/dbraw/zinc/01/65/59/287016559.db2.gz VPJXPJSREFAVNX-LLVKDONJSA-N 1 1 265.357 2.586 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020089770 170989730 /nfs/dbraw/zinc/98/97/30/170989730.db2.gz NHGBBBKABHLWBR-ZDUSSCGKSA-N 1 1 279.384 2.896 20 5 CFBDMO CC(C)C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000020201784 171066521 /nfs/dbraw/zinc/06/65/21/171066521.db2.gz MASJIZFINKCEFO-CQSZACIVSA-N 1 1 279.384 2.661 20 5 CFBDMO C[C@@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035258927 172091295 /nfs/dbraw/zinc/09/12/95/172091295.db2.gz WEJWUZISIXJDOZ-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000285393900 196271052 /nfs/dbraw/zinc/27/10/52/196271052.db2.gz SQDGRPGOYKSGNS-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO CC[C@@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010516 172868605 /nfs/dbraw/zinc/86/86/05/172868605.db2.gz BRTGIPHQOCSGHL-CQSZACIVSA-N 1 1 279.384 2.976 20 5 CFBDMO CO[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000285634152 196351059 /nfs/dbraw/zinc/35/10/59/196351059.db2.gz KZOKXUQSWAUZDB-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000285634152 196351060 /nfs/dbraw/zinc/35/10/60/196351060.db2.gz KZOKXUQSWAUZDB-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292605 173096608 /nfs/dbraw/zinc/09/66/08/173096608.db2.gz MLODATIOQPKDCH-LSDHHAIUSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292605 173096610 /nfs/dbraw/zinc/09/66/10/173096610.db2.gz MLODATIOQPKDCH-LSDHHAIUSA-N 1 1 289.379 2.620 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790461 196399425 /nfs/dbraw/zinc/39/94/25/196399425.db2.gz TWBGYTOAVBDTIP-VXGBXAGGSA-N 1 1 266.341 2.931 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCCCCC1 ZINC000040767626 174398436 /nfs/dbraw/zinc/39/84/36/174398436.db2.gz LOSGNNXNUSGZFC-UHFFFAOYSA-N 1 1 277.368 2.560 20 5 CFBDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000043569910 175067907 /nfs/dbraw/zinc/06/79/07/175067907.db2.gz AQYFLJSLMUCUOE-AGUYFDCRSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000044537761 175199868 /nfs/dbraw/zinc/19/98/68/175199868.db2.gz NBDLVLBYTIUKLT-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000071954255 176304381 /nfs/dbraw/zinc/30/43/81/176304381.db2.gz MQKYDYQMJVQHQY-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccc([N+](=O)[O-])c1 ZINC000077897924 177308105 /nfs/dbraw/zinc/30/81/05/177308105.db2.gz FSCVBZSPMNDOJS-SNVBAGLBSA-N 1 1 276.292 2.531 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854540 260212913 /nfs/dbraw/zinc/21/29/13/260212913.db2.gz WOLSHGUHNSPVCQ-WDEREUQCSA-N 1 1 281.331 2.937 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223247965 270255941 /nfs/dbraw/zinc/25/59/41/270255941.db2.gz IUSAZAULDHPZAW-NWDGAFQWSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227808691 270257635 /nfs/dbraw/zinc/25/76/35/270257635.db2.gz RKCPXYJXIBEAGJ-NWDGAFQWSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1c(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270848 270316670 /nfs/dbraw/zinc/31/66/70/270316670.db2.gz MUNGQJZXXXAOIX-ZOWXZIJZSA-N 1 1 291.395 2.708 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420935638 270331844 /nfs/dbraw/zinc/33/18/44/270331844.db2.gz HXDYJZLWTAGEON-UBHSHLNASA-N 1 1 292.379 2.915 20 5 CFBDMO C[C@@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280331540 274226901 /nfs/dbraw/zinc/22/69/01/274226901.db2.gz HRWDAHBKJRXYBC-ZDUSSCGKSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645773 274384535 /nfs/dbraw/zinc/38/45/35/274384535.db2.gz XZOUIKOFJYQANA-NXEZZACHSA-N 1 1 274.324 2.701 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250745684 275033608 /nfs/dbraw/zinc/03/36/08/275033608.db2.gz ALWDUXLTXNAYHR-MNOVXSKESA-N 1 1 296.758 2.682 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000267207727 276075187 /nfs/dbraw/zinc/07/51/87/276075187.db2.gz GZAUKCTVIIKDPT-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069411 /nfs/dbraw/zinc/06/94/11/277069411.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 1 1 289.379 2.511 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158016 /nfs/dbraw/zinc/15/80/16/277158016.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 1 1 289.379 2.511 20 5 CFBDMO CO[C@@H](C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000354470870 277276288 /nfs/dbraw/zinc/27/62/88/277276288.db2.gz XIHPJDQHYGHEAW-ZDUSSCGKSA-N 1 1 296.367 2.719 20 5 CFBDMO CO[C@H](C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000354370218 277324021 /nfs/dbraw/zinc/32/40/21/277324021.db2.gz ZFJSQLAVCZRELQ-LLVKDONJSA-N 1 1 284.331 2.979 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000354370218 277324022 /nfs/dbraw/zinc/32/40/22/277324022.db2.gz ZFJSQLAVCZRELQ-LLVKDONJSA-N 1 1 284.331 2.979 20 5 CFBDMO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000037140924 278335443 /nfs/dbraw/zinc/33/54/43/278335443.db2.gz UBEWGNJONKWHBA-GFCCVEGCSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@]1(F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397572 279165753 /nfs/dbraw/zinc/16/57/53/279165753.db2.gz WLCYYTAYZPZMBX-CYBMUJFWSA-N 1 1 252.289 2.571 20 5 CFBDMO Cc1c(CN2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070149476 280225452 /nfs/dbraw/zinc/22/54/52/280225452.db2.gz JBXDERMQLQNNBT-CQSZACIVSA-N 1 1 277.368 2.607 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247407944 281011272 /nfs/dbraw/zinc/01/12/72/281011272.db2.gz CADQYSHSJIYTRT-VXGBXAGGSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1cccc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375345140 281225855 /nfs/dbraw/zinc/22/58/55/281225855.db2.gz LGZBZSMGJMBTCQ-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO Cc1cccc(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000188371206 281226105 /nfs/dbraw/zinc/22/61/05/281226105.db2.gz WFGQHYHBRBPEFJ-UHFFFAOYSA-N 1 1 275.352 2.578 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339354657 281260546 /nfs/dbraw/zinc/26/05/46/281260546.db2.gz AZIWWIJRRPCXMB-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000514844353 281286519 /nfs/dbraw/zinc/28/65/19/281286519.db2.gz XUEIVJZQSBDNSN-UHFFFAOYSA-N 1 1 286.335 2.795 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000514844353 281286520 /nfs/dbraw/zinc/28/65/20/281286520.db2.gz XUEIVJZQSBDNSN-UHFFFAOYSA-N 1 1 286.335 2.795 20 5 CFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000547768492 281753496 /nfs/dbraw/zinc/75/34/96/281753496.db2.gz RCZDRCZEDFBNBX-NXEZZACHSA-N 1 1 288.307 2.628 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817557 290181715 /nfs/dbraw/zinc/18/17/15/290181715.db2.gz MQZNIRAXWALJOB-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@H](SC[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214118 290358661 /nfs/dbraw/zinc/35/86/61/290358661.db2.gz DOWULOFUTQBTPN-NWDGAFQWSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@H](SC[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214118 290358663 /nfs/dbraw/zinc/35/86/63/290358663.db2.gz DOWULOFUTQBTPN-NWDGAFQWSA-N 1 1 296.392 2.720 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000583844878 325313943 /nfs/dbraw/zinc/31/39/43/325313943.db2.gz JRAUWGCJDFSKIT-VXGBXAGGSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000584325448 325346264 /nfs/dbraw/zinc/34/62/64/325346264.db2.gz HNRJEOYWVCLALL-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000584325448 325346266 /nfs/dbraw/zinc/34/62/66/325346266.db2.gz HNRJEOYWVCLALL-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075460 533830452 /nfs/dbraw/zinc/83/04/52/533830452.db2.gz RXPJCAWYAYMJBP-MNOVXSKESA-N 1 1 296.346 2.661 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423332184 534225812 /nfs/dbraw/zinc/22/58/12/534225812.db2.gz PBRGXDLFFUQGLM-XJKSGUPXSA-N 1 1 291.395 2.944 20 5 CFBDMO CCC[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074289950 519851570 /nfs/dbraw/zinc/85/15/70/519851570.db2.gz HGSCOYFKIGRKOM-UHFFFAOYSA-N 1 1 291.395 2.555 20 5 CFBDMO CCOC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072977037 520115430 /nfs/dbraw/zinc/11/54/30/520115430.db2.gz HHLVRXILCCONQH-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072977037 520115439 /nfs/dbraw/zinc/11/54/39/520115439.db2.gz HHLVRXILCCONQH-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081537259 520181481 /nfs/dbraw/zinc/18/14/81/520181481.db2.gz MUDXCOACYIEVFK-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522329 520409883 /nfs/dbraw/zinc/40/98/83/520409883.db2.gz YWWJWSQRQFHERH-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522329 520409890 /nfs/dbraw/zinc/40/98/90/520409890.db2.gz YWWJWSQRQFHERH-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000068853217 520536045 /nfs/dbraw/zinc/53/60/45/520536045.db2.gz WXKHGESHXCEDFO-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO CC[N@@H+](CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])C(C)C ZINC000338717293 521084118 /nfs/dbraw/zinc/08/41/18/521084118.db2.gz JJICPNAVMKLBCF-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@@H](C)OC ZINC000361018603 521281340 /nfs/dbraw/zinc/28/13/40/521281340.db2.gz SXTJSZXMCSBUOR-GFCCVEGCSA-N 1 1 296.367 2.850 20 5 CFBDMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480394 521512791 /nfs/dbraw/zinc/51/27/91/521512791.db2.gz JHUQTDTYSNRLPH-NSHDSACASA-N 1 1 279.340 2.572 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000218863397 522766174 /nfs/dbraw/zinc/76/61/74/522766174.db2.gz UGUBWVORUOPONX-UWVGGRQHSA-N 1 1 297.330 2.637 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000300240636 522766755 /nfs/dbraw/zinc/76/67/55/522766755.db2.gz UGUBWVORUOPONX-ZJUUUORDSA-N 1 1 297.330 2.637 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000076073144 523444885 /nfs/dbraw/zinc/44/48/85/523444885.db2.gz FYGHXJJGGFLGMV-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000156951942 524005612 /nfs/dbraw/zinc/00/56/12/524005612.db2.gz YLHWPDLARKBPGR-UHFFFAOYSA-N 1 1 289.335 2.574 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000156951942 524005617 /nfs/dbraw/zinc/00/56/17/524005617.db2.gz YLHWPDLARKBPGR-UHFFFAOYSA-N 1 1 289.335 2.574 20 5 CFBDMO COc1ccncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340404247 524858416 /nfs/dbraw/zinc/85/84/16/524858416.db2.gz YXRHOMASKWIUMS-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609185 525313723 /nfs/dbraw/zinc/31/37/23/525313723.db2.gz OAHFZFAQZKEBOT-VXGBXAGGSA-N 1 1 275.352 2.940 20 5 CFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1 ZINC000341065516 525429062 /nfs/dbraw/zinc/42/90/62/525429062.db2.gz HUYHEVNVVVRHBJ-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO Cc1ccnc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360263320 525693877 /nfs/dbraw/zinc/69/38/77/525693877.db2.gz BAQQHNFLWLSTMI-QWHCGFSZSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1c([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000166262586 525896952 /nfs/dbraw/zinc/89/69/52/525896952.db2.gz VFSKQLQJCDGFIG-MLGOLLRUSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000084726458 526060387 /nfs/dbraw/zinc/06/03/87/526060387.db2.gz SGGVFWSOWKSSAD-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449760360 536506419 /nfs/dbraw/zinc/50/64/19/536506419.db2.gz NYISFNZFYCWLKB-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193848204 527348804 /nfs/dbraw/zinc/34/88/04/527348804.db2.gz PMYJMYQVUKHTGZ-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000314767659 527367664 /nfs/dbraw/zinc/36/76/64/527367664.db2.gz AAWRFXHUZQKAPB-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC3CCC2CC3)c1 ZINC000361995869 527394073 /nfs/dbraw/zinc/39/40/73/527394073.db2.gz JCOMHKVQMNXZJQ-ABIUDSBCSA-N 1 1 276.336 2.503 20 5 CFBDMO CC(C)c1ccc(CN[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414890126 528099832 /nfs/dbraw/zinc/09/98/32/528099832.db2.gz TYGKLLAIWMWJIX-NSHDSACASA-N 1 1 265.357 2.545 20 5 CFBDMO CCC[C@H](NCC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423224844 528220846 /nfs/dbraw/zinc/22/08/46/528220846.db2.gz CWGFEVHWHYHFMC-FZMZJTMJSA-N 1 1 265.357 2.763 20 5 CFBDMO CCn1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000414479123 529170099 /nfs/dbraw/zinc/17/00/99/529170099.db2.gz HVXYPFGPSNSLRN-ALCCZGGFSA-N 1 1 286.335 2.614 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000174369713 529297500 /nfs/dbraw/zinc/29/75/00/529297500.db2.gz COOGHHIXDXAUAY-LBPRGKRZSA-N 1 1 266.366 2.922 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450387545 535077329 /nfs/dbraw/zinc/07/73/29/535077329.db2.gz GPGCIGNKFHRWGE-ZDUSSCGKSA-N 1 1 292.383 2.770 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450601 574075251 /nfs/dbraw/zinc/07/52/51/574075251.db2.gz XKGVIRPCTNIJHL-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@H]1CCN(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450601 574075252 /nfs/dbraw/zinc/07/52/52/574075252.db2.gz XKGVIRPCTNIJHL-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOc1cccc([N+](=O)[O-])c1 ZINC000747576954 574201901 /nfs/dbraw/zinc/20/19/01/574201901.db2.gz YHFOUNJFIWOOGI-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741149687 574281976 /nfs/dbraw/zinc/28/19/76/574281976.db2.gz TWTJVXRSESWOKQ-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741149687 574281978 /nfs/dbraw/zinc/28/19/78/574281978.db2.gz TWTJVXRSESWOKQ-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CCC[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742148365 574316634 /nfs/dbraw/zinc/31/66/34/574316634.db2.gz REFDBCHGCUYHJH-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079460 574323192 /nfs/dbraw/zinc/32/31/92/574323192.db2.gz VTYGLNZKDXIIJL-DOMZBBRYSA-N 1 1 278.352 2.893 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095488 574324138 /nfs/dbraw/zinc/32/41/38/574324138.db2.gz ZCJXVTIHTBZHDM-DZGCQCFKSA-N 1 1 278.352 2.606 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@H]1C ZINC000934297531 617990707 /nfs/dbraw/zinc/99/07/07/617990707.db2.gz CCLXETOPTJITDB-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000807983549 618033408 /nfs/dbraw/zinc/03/34/08/618033408.db2.gz PPANHDYAMOABJQ-PWSUYJOCSA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1c(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565064 617610956 /nfs/dbraw/zinc/61/09/56/617610956.db2.gz YRVZHIFNDYPEPR-GOEBONIOSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1c(C[NH2+][C@H]2CCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565064 617610958 /nfs/dbraw/zinc/61/09/58/617610958.db2.gz YRVZHIFNDYPEPR-GOEBONIOSA-N 1 1 289.379 2.620 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891694852 617714323 /nfs/dbraw/zinc/71/43/23/617714323.db2.gz SCUUHPQEHMKBRX-SNVBAGLBSA-N 1 1 282.340 2.787 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657831 617756943 /nfs/dbraw/zinc/75/69/43/617756943.db2.gz ZLMRACVIQDBIBV-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657831 617756948 /nfs/dbraw/zinc/75/69/48/617756948.db2.gz ZLMRACVIQDBIBV-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCC1 ZINC000892086235 617942393 /nfs/dbraw/zinc/94/23/93/617942393.db2.gz OLBVOHCXVWIUOH-UHFFFAOYSA-N 1 1 280.324 2.683 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000219546634 618202280 /nfs/dbraw/zinc/20/22/80/618202280.db2.gz FUHDVGWKYPEHJT-GFCCVEGCSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000219546634 618202282 /nfs/dbraw/zinc/20/22/82/618202282.db2.gz FUHDVGWKYPEHJT-GFCCVEGCSA-N 1 1 279.384 2.723 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000062350957 618375867 /nfs/dbraw/zinc/37/58/67/618375867.db2.gz SYLXFDFNAHACKO-ZOWXZIJZSA-N 1 1 278.352 2.606 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000895235615 618491253 /nfs/dbraw/zinc/49/12/53/618491253.db2.gz HNFPWVHHDMGULG-JQWIXIFHSA-N 1 1 292.335 2.683 20 5 CFBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000055033893 618634103 /nfs/dbraw/zinc/63/41/03/618634103.db2.gz YLKZNQMPBBVUJQ-AWEZNQCLSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000055033893 618634105 /nfs/dbraw/zinc/63/41/05/618634105.db2.gz YLKZNQMPBBVUJQ-AWEZNQCLSA-N 1 1 286.335 2.894 20 5 CFBDMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000092628206 618916976 /nfs/dbraw/zinc/91/69/76/618916976.db2.gz ZGTFDRPSTKHABH-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000930686492 618921829 /nfs/dbraw/zinc/92/18/29/618921829.db2.gz HHUVNRMOUQMXIK-AWEZNQCLSA-N 1 1 260.337 2.880 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000930686492 618921834 /nfs/dbraw/zinc/92/18/34/618921834.db2.gz HHUVNRMOUQMXIK-AWEZNQCLSA-N 1 1 260.337 2.880 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000093097811 618979186 /nfs/dbraw/zinc/97/91/86/618979186.db2.gz NAGIBFJFZIRTAL-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093097811 618979188 /nfs/dbraw/zinc/97/91/88/618979188.db2.gz NAGIBFJFZIRTAL-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916924 619083407 /nfs/dbraw/zinc/08/34/07/619083407.db2.gz KUVYGCSLOXLVOM-CYBMUJFWSA-N 1 1 280.372 2.734 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893679598 619154593 /nfs/dbraw/zinc/15/45/93/619154593.db2.gz UUGXIUDXPKZUBK-LLVKDONJSA-N 1 1 294.351 2.931 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000895482301 619541355 /nfs/dbraw/zinc/54/13/55/619541355.db2.gz ULKLYBVDPVLKPU-LLVKDONJSA-N 1 1 294.351 2.787 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179251132 620217308 /nfs/dbraw/zinc/21/73/08/620217308.db2.gz IXDVIIAZTSPLQW-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO COc1ccnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000925311113 620243399 /nfs/dbraw/zinc/24/33/99/620243399.db2.gz CYQIJUFXYNYUIL-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO NCC[N@@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000841059549 620423659 /nfs/dbraw/zinc/42/36/59/620423659.db2.gz UJNMASODNIHHJP-UHFFFAOYSA-N 1 1 294.398 2.746 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]2C2CCCC2)c1 ZINC000899912917 620612832 /nfs/dbraw/zinc/61/28/32/620612832.db2.gz SWMMRSQFVBKBEX-JKSUJKDBSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286844 621318597 /nfs/dbraw/zinc/31/85/97/621318597.db2.gz ICZMUSOUUHCTFD-XHBSWPGZSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286844 621318599 /nfs/dbraw/zinc/31/85/99/621318599.db2.gz ICZMUSOUUHCTFD-XHBSWPGZSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411997 621593302 /nfs/dbraw/zinc/59/33/02/621593302.db2.gz YUXCITHDBUVPSA-PWSUYJOCSA-N 1 1 297.786 2.665 20 5 CFBDMO Cc1c(CNCC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000071377395 625509207 /nfs/dbraw/zinc/50/92/07/625509207.db2.gz UTFFZVLSVLZYAL-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1c(C[NH2+]CCN(C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000071377395 625509211 /nfs/dbraw/zinc/50/92/11/625509211.db2.gz UTFFZVLSVLZYAL-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1c(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000226383127 623072218 /nfs/dbraw/zinc/07/22/18/623072218.db2.gz ZEMQRGYCCLVRIF-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000227530711 623111890 /nfs/dbraw/zinc/11/18/90/623111890.db2.gz GAXQYPRPLNTPIH-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000227530711 623111895 /nfs/dbraw/zinc/11/18/95/623111895.db2.gz GAXQYPRPLNTPIH-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061981211 623244166 /nfs/dbraw/zinc/24/41/66/623244166.db2.gz YIUXVYQVRFMLBO-SNVBAGLBSA-N 1 1 281.743 2.897 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000172850573 623312577 /nfs/dbraw/zinc/31/25/77/623312577.db2.gz UPIXHYQWBYDWQR-FZMZJTMJSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568401 623900337 /nfs/dbraw/zinc/90/03/37/623900337.db2.gz HHDAEMYZLDSEDM-NSHDSACASA-N 1 1 268.361 2.732 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccnc2)c1 ZINC000035368206 624074393 /nfs/dbraw/zinc/07/43/93/624074393.db2.gz DDFGBXTYACHAIS-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000917432303 624343307 /nfs/dbraw/zinc/34/33/07/624343307.db2.gz CDQHHAKPTHGRBR-UPJWGTAASA-N 1 1 278.356 2.649 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000919371288 624564512 /nfs/dbraw/zinc/56/45/12/624564512.db2.gz DEQDZRNFRRKCMQ-NSHDSACASA-N 1 1 298.364 2.688 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923496424 626476422 /nfs/dbraw/zinc/47/64/22/626476422.db2.gz IDZHDERHMCPFTB-MNOVXSKESA-N 1 1 297.786 2.665 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658371 626549719 /nfs/dbraw/zinc/54/97/19/626549719.db2.gz LXVGVHNZXCRIEU-SMDDNHRTSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](C4CC4)C3)c2c1 ZINC000763334332 626980953 /nfs/dbraw/zinc/98/09/53/626980953.db2.gz VZAGVYZQQOEPHA-ZDUSSCGKSA-N 1 1 286.335 2.634 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764878215 627104026 /nfs/dbraw/zinc/10/40/26/627104026.db2.gz RVEYIZHKAINZHU-UHFFFAOYSA-N 1 1 274.324 2.695 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636523 627152163 /nfs/dbraw/zinc/15/21/63/627152163.db2.gz QJYNRDNLKWNCPN-MNOVXSKESA-N 1 1 281.331 2.653 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000765644630 627152503 /nfs/dbraw/zinc/15/25/03/627152503.db2.gz YKLHNNGMLLHXKZ-CHWSQXEVSA-N 1 1 277.368 2.822 20 5 CFBDMO Cc1c(C[NH+]2CC(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000769656849 627463771 /nfs/dbraw/zinc/46/37/71/627463771.db2.gz BCVJJUNDEPTYRJ-UHFFFAOYSA-N 1 1 256.252 2.600 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000771916785 627647202 /nfs/dbraw/zinc/64/72/02/627647202.db2.gz GRBXQJBPSQZKMW-SECBINFHSA-N 1 1 284.747 2.539 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000773083988 627781209 /nfs/dbraw/zinc/78/12/09/627781209.db2.gz AFDRHNTUCWPOBM-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[N@@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636530 627943989 /nfs/dbraw/zinc/94/39/89/627943989.db2.gz VFSRUEKKSKCJCF-UHFFFAOYSA-N 1 1 294.742 2.897 20 5 CFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590122 628162390 /nfs/dbraw/zinc/16/23/90/628162390.db2.gz YJIDZABNYRCGRK-NJZAAPMLSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC=CCC3)c2)c1 ZINC000778577993 628317199 /nfs/dbraw/zinc/31/71/99/628317199.db2.gz YLZOVQVHOJLTEG-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC=CCC3)c2)c1 ZINC000778577993 628317200 /nfs/dbraw/zinc/31/72/00/628317200.db2.gz YLZOVQVHOJLTEG-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccon1 ZINC000786818482 628980897 /nfs/dbraw/zinc/98/08/97/628980897.db2.gz ZCYLPMSUYYQFIV-YRNVUSSQSA-N 1 1 273.292 2.776 20 5 CFBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788465473 629071282 /nfs/dbraw/zinc/07/12/82/629071282.db2.gz VVSHOHGXPBOLJH-NXEZZACHSA-N 1 1 298.770 2.982 20 5 CFBDMO O=[N+]([O-])CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000791053694 629283945 /nfs/dbraw/zinc/28/39/45/629283945.db2.gz MAUXRRRNQPSVGZ-UHFFFAOYSA-N 1 1 270.332 2.966 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000791051660 629284114 /nfs/dbraw/zinc/28/41/14/629284114.db2.gz HTPONUBMTCULBL-KRWDZBQOSA-N 1 1 282.343 2.911 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000791051662 629284266 /nfs/dbraw/zinc/28/42/66/629284266.db2.gz HTPONUBMTCULBL-QGZVFWFLSA-N 1 1 282.343 2.911 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000792928487 629467794 /nfs/dbraw/zinc/46/77/94/629467794.db2.gz UGWPPKJGDMIYNQ-CQSZACIVSA-N 1 1 296.342 2.861 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000110717510 634786306 /nfs/dbraw/zinc/78/63/06/634786306.db2.gz LGQPHLSLYMAWGT-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526830 630077458 /nfs/dbraw/zinc/07/74/58/630077458.db2.gz YMBDUPVMBUPQCF-NHYWBVRUSA-N 1 1 276.336 2.526 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840150091 631057494 /nfs/dbraw/zinc/05/74/94/631057494.db2.gz OVZRPXGDMJZEFJ-LBPRGKRZSA-N 1 1 280.372 2.815 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840150091 631057495 /nfs/dbraw/zinc/05/74/95/631057495.db2.gz OVZRPXGDMJZEFJ-LBPRGKRZSA-N 1 1 280.372 2.815 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000809692780 631265195 /nfs/dbraw/zinc/26/51/95/631265195.db2.gz GUZZHXHQEFJAAM-LLVKDONJSA-N 1 1 284.743 2.859 20 5 CFBDMO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028044 631308944 /nfs/dbraw/zinc/30/89/44/631308944.db2.gz JZQXQYXLNKHPMP-YPMHNXCESA-N 1 1 297.786 2.855 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)CC2CC2)ccc1[N+](=O)[O-] ZINC000809996656 631310175 /nfs/dbraw/zinc/31/01/75/631310175.db2.gz GXHLUADKLVMAPU-UHFFFAOYSA-N 1 1 293.323 2.792 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000841890241 631489418 /nfs/dbraw/zinc/48/94/18/631489418.db2.gz LSZDSRHZRJDASK-MXWKQRLJSA-N 1 1 293.323 2.979 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573795 632289999 /nfs/dbraw/zinc/28/99/99/632289999.db2.gz ULOLDADFSKBFRD-GFCCVEGCSA-N 1 1 294.399 2.558 20 5 CFBDMO CCN(CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573795 632290000 /nfs/dbraw/zinc/29/00/00/632290000.db2.gz ULOLDADFSKBFRD-GFCCVEGCSA-N 1 1 294.399 2.558 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000845558182 632463988 /nfs/dbraw/zinc/46/39/88/632463988.db2.gz VOVBGLJNWVMQJO-OQPBUACISA-N 1 1 299.733 2.528 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660594 632506301 /nfs/dbraw/zinc/50/63/01/632506301.db2.gz JPOFEVVVBXAJSE-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412870 632624790 /nfs/dbraw/zinc/62/47/90/632624790.db2.gz PWRVJLLBINFVEL-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[N@H+]1C ZINC000817417892 632627276 /nfs/dbraw/zinc/62/72/76/632627276.db2.gz VXVAHZZNXHHQSE-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO CCOC(C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000846969789 632863215 /nfs/dbraw/zinc/86/32/15/632863215.db2.gz NTVCSXFKZHTXBR-UHFFFAOYSA-N 1 1 296.367 2.816 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000848520197 633273925 /nfs/dbraw/zinc/27/39/25/633273925.db2.gz NZUQTUUJPDQXBS-ONGXEEELSA-N 1 1 293.323 2.648 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000850370701 633959731 /nfs/dbraw/zinc/95/97/31/633959731.db2.gz FORBDOCXDFGABI-QWHCGFSZSA-N 1 1 290.344 2.924 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000852771890 634830670 /nfs/dbraw/zinc/83/06/70/634830670.db2.gz JHZNWGQRALGUKX-JSGCOSHPSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000852771893 634830853 /nfs/dbraw/zinc/83/08/53/634830853.db2.gz JHZNWGQRALGUKX-TZMCWYRMSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000852772940 634831732 /nfs/dbraw/zinc/83/17/32/634831732.db2.gz SUMAUWRUJXBSKN-LLVKDONJSA-N 1 1 293.323 2.981 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2)cc1 ZINC000853575226 635038760 /nfs/dbraw/zinc/03/87/60/635038760.db2.gz CCINFBMZRQEAPM-ZIAGYGMSSA-N 1 1 298.346 2.758 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805254 635865229 /nfs/dbraw/zinc/86/52/29/635865229.db2.gz LTLVHLGUCWOOQL-LBPRGKRZSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512237 636017887 /nfs/dbraw/zinc/01/78/87/636017887.db2.gz MHAHSKNSWUTBFS-TZMCWYRMSA-N 1 1 286.335 2.627 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858781227 636345597 /nfs/dbraw/zinc/34/55/97/636345597.db2.gz QSZIUEJWSMZDFS-ZDUSSCGKSA-N 1 1 290.367 2.606 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860086791 636782273 /nfs/dbraw/zinc/78/22/73/636782273.db2.gz ASRTZYWESPZYLX-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860086791 636782281 /nfs/dbraw/zinc/78/22/81/636782281.db2.gz ASRTZYWESPZYLX-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000865912171 638654166 /nfs/dbraw/zinc/65/41/66/638654166.db2.gz MOGNFFLMGVZADB-PHIMTYICSA-N 1 1 291.257 2.844 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000866195573 638767558 /nfs/dbraw/zinc/76/75/58/638767558.db2.gz XLBVTYKJKJZCAF-INIZCTEOSA-N 1 1 298.346 2.776 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000866195573 638767560 /nfs/dbraw/zinc/76/75/60/638767560.db2.gz XLBVTYKJKJZCAF-INIZCTEOSA-N 1 1 298.346 2.776 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000866540219 638838590 /nfs/dbraw/zinc/83/85/90/638838590.db2.gz LFMHEODQMPUDLI-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582121 638848429 /nfs/dbraw/zinc/84/84/29/638848429.db2.gz DLKMRKMGMGNEOP-IVMMDQJWSA-N 1 1 289.379 2.682 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040611 641574874 /nfs/dbraw/zinc/57/48/74/641574874.db2.gz ZISPHGRDWJTZKP-NEPJUHHUSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@@H]([NH2+]CCOC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872064356 641597076 /nfs/dbraw/zinc/59/70/76/641597076.db2.gz GEKLMFJOZBSPBM-SSDOTTSWSA-N 1 1 296.220 2.921 20 5 CFBDMO C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129604 641657935 /nfs/dbraw/zinc/65/79/35/641657935.db2.gz RSCSXPASFBMBSI-ZOWXZIJZSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129604 641657941 /nfs/dbraw/zinc/65/79/41/641657941.db2.gz RSCSXPASFBMBSI-ZOWXZIJZSA-N 1 1 289.379 2.728 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872779861 641933815 /nfs/dbraw/zinc/93/38/15/641933815.db2.gz JBJRFNCKFHMDGX-QWHCGFSZSA-N 1 1 275.352 2.576 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781036 641934642 /nfs/dbraw/zinc/93/46/42/641934642.db2.gz PCZGTEPTKVKIGD-ZIAGYGMSSA-N 1 1 295.770 2.921 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780725 641935260 /nfs/dbraw/zinc/93/52/60/641935260.db2.gz MTYCVWKWAVLUJW-VXGBXAGGSA-N 1 1 295.770 2.921 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015634 641985430 /nfs/dbraw/zinc/98/54/30/641985430.db2.gz RKRQVRWOSQBXGU-AWEZNQCLSA-N 1 1 291.395 2.643 20 5 CFBDMO CC[N@H+]1CC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015634 641985434 /nfs/dbraw/zinc/98/54/34/641985434.db2.gz RKRQVRWOSQBXGU-AWEZNQCLSA-N 1 1 291.395 2.643 20 5 CFBDMO CCc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)on1 ZINC000873059161 641998893 /nfs/dbraw/zinc/99/88/93/641998893.db2.gz OGPCBHDDGMXJRU-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO C[N@H+]1CCC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440129 650774500 /nfs/dbraw/zinc/77/45/00/650774500.db2.gz WCSACERVBMDPKQ-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CC[C@@](C)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876738848 642987914 /nfs/dbraw/zinc/98/79/14/642987914.db2.gz CNCPBJSRWRLZAQ-HNNXBMFYSA-N 1 1 278.352 2.768 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](F)C1 ZINC000877559662 643360022 /nfs/dbraw/zinc/36/00/22/643360022.db2.gz RISBKCRYEOJSMU-NSHDSACASA-N 1 1 252.289 2.755 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](F)C1 ZINC000877559662 643360029 /nfs/dbraw/zinc/36/00/29/643360029.db2.gz RISBKCRYEOJSMU-NSHDSACASA-N 1 1 252.289 2.755 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000877646455 643429449 /nfs/dbraw/zinc/42/94/49/643429449.db2.gz IKRYXANRDRJMQS-FZMZJTMJSA-N 1 1 292.379 2.662 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877795909 643562184 /nfs/dbraw/zinc/56/21/84/643562184.db2.gz ZTOLJJZVBJRQQD-CQSZACIVSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877795908 643563116 /nfs/dbraw/zinc/56/31/16/643563116.db2.gz ZTOLJJZVBJRQQD-AWEZNQCLSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877837133 643604642 /nfs/dbraw/zinc/60/46/42/643604642.db2.gz SHWULGWBVPTRFP-CYBMUJFWSA-N 1 1 292.379 2.804 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563538 644321850 /nfs/dbraw/zinc/32/18/50/644321850.db2.gz CIQNNRBYRSOIBZ-NEPJUHHUSA-N 1 1 296.367 2.919 20 5 CFBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccnn1C ZINC000879685617 644379577 /nfs/dbraw/zinc/37/95/77/644379577.db2.gz YOPMUKRUAALJOZ-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880144925 644552869 /nfs/dbraw/zinc/55/28/69/644552869.db2.gz FZSWFVXFBZTLOO-RYUDHWBXSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293869 644633802 /nfs/dbraw/zinc/63/38/02/644633802.db2.gz PCWVCCSVMCIQRV-VIFPVBQESA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CF)C1 ZINC000880293869 644633807 /nfs/dbraw/zinc/63/38/07/644633807.db2.gz PCWVCCSVMCIQRV-VIFPVBQESA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000880299299 644639366 /nfs/dbraw/zinc/63/93/66/644639366.db2.gz FPNYCJXVAJNKBF-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881774684 645125189 /nfs/dbraw/zinc/12/51/89/645125189.db2.gz ZYTSZSDOWWUPSS-LLVKDONJSA-N 1 1 296.346 2.805 20 5 CFBDMO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000881807913 645131318 /nfs/dbraw/zinc/13/13/18/645131318.db2.gz GZADYSQGFLEEDY-GHMZBOCLSA-N 1 1 296.346 2.661 20 5 CFBDMO CC(=O)c1c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016737 645177102 /nfs/dbraw/zinc/17/71/02/645177102.db2.gz AMYSMECTDMMHMV-ZYHUDNBSSA-N 1 1 291.351 2.692 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000251841962 650995993 /nfs/dbraw/zinc/99/59/93/650995993.db2.gz QXBCFDONOOYGSB-DZGCQCFKSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000133335745 646074818 /nfs/dbraw/zinc/07/48/18/646074818.db2.gz LQCLQTNPKLODBO-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000133335745 646074820 /nfs/dbraw/zinc/07/48/20/646074820.db2.gz LQCLQTNPKLODBO-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO CCC(CC)[N@@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885983871 646795504 /nfs/dbraw/zinc/79/55/04/646795504.db2.gz SBJJDAHSKBVARZ-UHFFFAOYSA-N 1 1 281.356 2.627 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000885983422 646795681 /nfs/dbraw/zinc/79/56/81/646795681.db2.gz GBPYOYAFQHKYRA-ZDUSSCGKSA-N 1 1 261.325 2.754 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000886109436 646875942 /nfs/dbraw/zinc/87/59/42/646875942.db2.gz KJXNRTRTMLZHOF-UHFFFAOYSA-N 1 1 269.304 2.769 20 5 CFBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134473 646888257 /nfs/dbraw/zinc/88/82/57/646888257.db2.gz SSRWLCSNCGWALN-DOMZBBRYSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134473 646888262 /nfs/dbraw/zinc/88/82/62/646888262.db2.gz SSRWLCSNCGWALN-DOMZBBRYSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203005 646917925 /nfs/dbraw/zinc/91/79/25/646917925.db2.gz JRGGVJWZDAVYOO-JSGCOSHPSA-N 1 1 293.367 2.505 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886676990 647105658 /nfs/dbraw/zinc/10/56/58/647105658.db2.gz PLDXLDVFMHFJTA-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818617 647151556 /nfs/dbraw/zinc/15/15/56/647151556.db2.gz HLKFLFXGNRDCAA-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886832285 647155542 /nfs/dbraw/zinc/15/55/42/647155542.db2.gz FOMZYJUCOQBLIP-IAQYHMDHSA-N 1 1 294.326 2.735 20 5 CFBDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000930449008 647892947 /nfs/dbraw/zinc/89/29/47/647892947.db2.gz KRRIBPUVKOOHAY-TZMCWYRMSA-N 1 1 278.352 2.745 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000929175198 648994798 /nfs/dbraw/zinc/99/47/98/648994798.db2.gz PYQRPLCPCDRXPB-LBPRGKRZSA-N 1 1 254.717 2.754 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000929175198 648994799 /nfs/dbraw/zinc/99/47/99/648994799.db2.gz PYQRPLCPCDRXPB-LBPRGKRZSA-N 1 1 254.717 2.754 20 5 CFBDMO COc1ccc(OC)c(C[N@H+](CC[N+](=O)[O-])C(C)(C)C)c1 ZINC000929834531 649134893 /nfs/dbraw/zinc/13/48/93/649134893.db2.gz NYDQHRGHJMMBJN-UHFFFAOYSA-N 1 1 296.367 2.581 20 5 CFBDMO COc1ccc(OC)c(C[N@@H+](CC[N+](=O)[O-])C(C)(C)C)c1 ZINC000929834531 649134896 /nfs/dbraw/zinc/13/48/96/649134896.db2.gz NYDQHRGHJMMBJN-UHFFFAOYSA-N 1 1 296.367 2.581 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000930084899 649181064 /nfs/dbraw/zinc/18/10/64/649181064.db2.gz CZHXIWVFBVBIFJ-GFCCVEGCSA-N 1 1 298.770 2.708 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931724779 649480332 /nfs/dbraw/zinc/48/03/32/649480332.db2.gz MTIQTQWPOUCPFH-MCIONIFRSA-N 1 1 289.379 2.824 20 5 CFBDMO CCO[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979752 649666681 /nfs/dbraw/zinc/66/66/81/649666681.db2.gz QQLVIBWBDQLGCP-FZMZJTMJSA-N 1 1 264.325 2.767 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108056 649750502 /nfs/dbraw/zinc/75/05/02/649750502.db2.gz ZBEVCHZMOWWOPI-DGCLKSJQSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108056 649750503 /nfs/dbraw/zinc/75/05/03/649750503.db2.gz ZBEVCHZMOWWOPI-DGCLKSJQSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123363 649752715 /nfs/dbraw/zinc/75/27/15/649752715.db2.gz AFXYKSOAWHOEIZ-DDTOSNHZSA-N 1 1 264.325 2.765 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001167284636 770213281 /nfs/dbraw/zinc/21/32/81/770213281.db2.gz JBVBQBFESMSAGF-LBPRGKRZSA-N 1 1 271.320 2.864 20 5 CFBDMO CC(=O)Nc1cc(Nc2cccc([N+](=O)[O-])c2F)cc[nH+]1 ZINC001210381792 770275051 /nfs/dbraw/zinc/27/50/51/770275051.db2.gz PORDEAOTXKVMRB-UHFFFAOYSA-N 1 1 290.254 2.831 20 5 CFBDMO COc1ccc(CC[N@@H+](CC[N+](=O)[O-])CC(C)(C)C)cc1 ZINC001167406461 770432694 /nfs/dbraw/zinc/43/26/94/770432694.db2.gz QLPNWFLZXPFHDO-UHFFFAOYSA-N 1 1 294.395 2.863 20 5 CFBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000723039947 770452035 /nfs/dbraw/zinc/45/20/35/770452035.db2.gz ZQEHBRZFMCTSMA-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000723039947 770452040 /nfs/dbraw/zinc/45/20/40/770452040.db2.gz ZQEHBRZFMCTSMA-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333906 775161210 /nfs/dbraw/zinc/16/12/10/775161210.db2.gz NZAKKHXZZWPHNS-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001225382716 775437192 /nfs/dbraw/zinc/43/71/92/775437192.db2.gz QMPQOWPGTYKFQK-IAZYJMLFSA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Cl)nccc1[N+](=O)[O-])C2 ZINC001225431299 775454109 /nfs/dbraw/zinc/45/41/09/775454109.db2.gz OEOJOVCPDYXQJN-ILWJIGKKSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225793758 775594690 /nfs/dbraw/zinc/59/46/90/775594690.db2.gz DYDSDPZEZITMRT-JTQLQIEISA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001225913577 775632648 /nfs/dbraw/zinc/63/26/48/775632648.db2.gz WGTTZVXXUVUFQH-IAZYJMLFSA-N 1 1 280.299 2.738 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809616 775973388 /nfs/dbraw/zinc/97/33/88/775973388.db2.gz FKUXAZQWDDMIKR-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1OC1CC[NH+](CCF)CC1 ZINC001226995655 776054237 /nfs/dbraw/zinc/05/42/37/776054237.db2.gz MLTZMMXMGFMAKO-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222961 776143569 /nfs/dbraw/zinc/14/35/69/776143569.db2.gz YHFLAWVTHYKHQJ-GFCCVEGCSA-N 1 1 279.340 2.550 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccccc1[N+](=O)[O-])C2 ZINC001227481338 776212150 /nfs/dbraw/zinc/21/21/50/776212150.db2.gz SUMLMWTVNXWHFV-ZSBIGDGJSA-N 1 1 262.309 2.599 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccccc1[N+](=O)[O-] ZINC001227484494 776213214 /nfs/dbraw/zinc/21/32/14/776213214.db2.gz PTOYXFDMOSNEDS-JYAVWHMHSA-N 1 1 276.336 2.704 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccccc1[N+](=O)[O-] ZINC001227484493 776213603 /nfs/dbraw/zinc/21/36/03/776213603.db2.gz PTOYXFDMOSNEDS-JJLQDPRZSA-N 1 1 276.336 2.704 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1)C2 ZINC001227521600 776219069 /nfs/dbraw/zinc/21/90/69/776219069.db2.gz SRWSGTDYJUAHLQ-DABQJJPHSA-N 1 1 262.309 2.599 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167785665 776383056 /nfs/dbraw/zinc/38/30/56/776383056.db2.gz YGCOPUSDIGIFBE-UHFFFAOYSA-N 1 1 293.714 2.541 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209519 776422557 /nfs/dbraw/zinc/42/25/57/776422557.db2.gz SZMOIWPXLGMMSQ-JTQLQIEISA-N 1 1 293.348 2.678 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228736385 776589726 /nfs/dbraw/zinc/58/97/26/776589726.db2.gz FTXDHGAUMAJVHP-ZDUSSCGKSA-N 1 1 279.343 2.866 20 5 CFBDMO Cc1cc(OC2CC[NH+](CCF)CC2)cc([N+](=O)[O-])c1 ZINC001228833472 776626194 /nfs/dbraw/zinc/62/61/94/776626194.db2.gz LPWMNWHSLYRQMY-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001228915464 776657875 /nfs/dbraw/zinc/65/78/75/776657875.db2.gz FFCVXMIJCZAMFI-CYBMUJFWSA-N 1 1 264.325 2.765 20 5 CFBDMO CC(=O)c1cccc(O[C@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001229130814 776727523 /nfs/dbraw/zinc/72/75/23/776727523.db2.gz DLBVPQLRBIGDKT-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229202156 776751085 /nfs/dbraw/zinc/75/10/85/776751085.db2.gz WGGNQIXZOHBZNC-GFCCVEGCSA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342543 776785291 /nfs/dbraw/zinc/78/52/91/776785291.db2.gz BNBLDYCEWZIBAX-CYBMUJFWSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229488067 776826502 /nfs/dbraw/zinc/82/65/02/776826502.db2.gz TZADQCGRARZZJO-LLVKDONJSA-N 1 1 291.307 2.598 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962125 776925587 /nfs/dbraw/zinc/92/55/87/776925587.db2.gz OTOGNMVKTNAPPL-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962113 776926110 /nfs/dbraw/zinc/92/61/10/776926110.db2.gz OHJWGPJVWLHCLX-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230143920 776955611 /nfs/dbraw/zinc/95/56/11/776955611.db2.gz QUUMXPOPOHSEEU-GFCCVEGCSA-N 1 1 264.325 2.765 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156901 777159341 /nfs/dbraw/zinc/15/93/41/777159341.db2.gz UAFZNHCTBVVWCD-LBPRGKRZSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000721803830 777586688 /nfs/dbraw/zinc/58/66/88/777586688.db2.gz KRLFJTCTVMGJNV-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)c([N+](=O)[O-])cn1)C2 ZINC001226918461 777697792 /nfs/dbraw/zinc/69/77/92/777697792.db2.gz XIXVWHWSBONUBL-ILWJIGKKSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233597163 778005321 /nfs/dbraw/zinc/00/53/21/778005321.db2.gz IJVAYYFVLKNWID-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753579 778064153 /nfs/dbraw/zinc/06/41/53/778064153.db2.gz NCHHRXLNVZXGJG-SECBINFHSA-N 1 1 286.278 2.735 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234060544 778155419 /nfs/dbraw/zinc/15/54/19/778155419.db2.gz QSBSZXLTCLJLNC-LLVKDONJSA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228756665 778192607 /nfs/dbraw/zinc/19/26/07/778192607.db2.gz PQAMAYZBTODFAX-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1nccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000699911388 779420310 /nfs/dbraw/zinc/42/03/10/779420310.db2.gz LXIYSWVXASHXSI-SNVBAGLBSA-N 1 1 272.308 2.544 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc1Cl ZINC000700636532 780711226 /nfs/dbraw/zinc/71/12/26/780711226.db2.gz WRCBAMHLMFVOPG-VXGBXAGGSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)cn1 ZINC000709935541 781323830 /nfs/dbraw/zinc/32/38/30/781323830.db2.gz SZGJLVIBVJLWSW-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000710639518 781346443 /nfs/dbraw/zinc/34/64/43/781346443.db2.gz GUKYGCQUYUYOTR-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000710639518 781346446 /nfs/dbraw/zinc/34/64/46/781346446.db2.gz GUKYGCQUYUYOTR-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594597066 349455915 /nfs/dbraw/zinc/45/59/15/349455915.db2.gz CESJRXTZWVYGDW-CHWSQXEVSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594599422 349456882 /nfs/dbraw/zinc/45/68/82/349456882.db2.gz JSAGKPDFFGSYOA-KBPBESRZSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594601244 349458049 /nfs/dbraw/zinc/45/80/49/349458049.db2.gz MXQGTXQWZBVGJA-GXTWGEPZSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCC1 ZINC000594739281 349485632 /nfs/dbraw/zinc/48/56/32/349485632.db2.gz SGLUILBZURKKDB-CYBMUJFWSA-N 1 1 291.395 2.777 20 5 CFBDMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594934568 349517804 /nfs/dbraw/zinc/51/78/04/349517804.db2.gz CKJVIXZIFYJKLR-NSHDSACASA-N 1 1 274.324 2.786 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000594969706 349535060 /nfs/dbraw/zinc/53/50/60/349535060.db2.gz ZQHDIFMSZCFGAE-HNNXBMFYSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594969706 349535063 /nfs/dbraw/zinc/53/50/63/349535063.db2.gz ZQHDIFMSZCFGAE-HNNXBMFYSA-N 1 1 291.395 2.866 20 5 CFBDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000594979281 349537509 /nfs/dbraw/zinc/53/75/09/349537509.db2.gz IBUDGMMPEAOHEU-CQSZACIVSA-N 1 1 291.395 2.805 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125130147 187171292 /nfs/dbraw/zinc/17/12/92/187171292.db2.gz WBGPPPBJIPQIAO-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335219 349604785 /nfs/dbraw/zinc/60/47/85/349604785.db2.gz SOUJIFOCTQFHQC-RISCZKNCSA-N 1 1 297.355 2.527 20 5 CFBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335219 349604787 /nfs/dbraw/zinc/60/47/87/349604787.db2.gz SOUJIFOCTQFHQC-RISCZKNCSA-N 1 1 297.355 2.527 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595325419 349602607 /nfs/dbraw/zinc/60/26/07/349602607.db2.gz HUAJXNVPVVEVLL-WDEREUQCSA-N 1 1 265.313 2.656 20 5 CFBDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595289796 349590617 /nfs/dbraw/zinc/59/06/17/349590617.db2.gz UEEXQQBWFITUES-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595290902 349592272 /nfs/dbraw/zinc/59/22/72/349592272.db2.gz GGELSOCQHIDQOE-JTQLQIEISA-N 1 1 253.302 2.656 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343190 349606692 /nfs/dbraw/zinc/60/66/92/349606692.db2.gz GFYCWYAEABZKRD-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000595391779 349615082 /nfs/dbraw/zinc/61/50/82/349615082.db2.gz AVOKOWBFMPSDGG-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO Cc1noc(C[N@@H+](C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000595428505 349623558 /nfs/dbraw/zinc/62/35/58/349623558.db2.gz YCOYGKKUGZVNRH-QMMMGPOBSA-N 1 1 296.352 2.583 20 5 CFBDMO Cc1noc(C[N@H+](C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000595428505 349623559 /nfs/dbraw/zinc/62/35/59/349623559.db2.gz YCOYGKKUGZVNRH-QMMMGPOBSA-N 1 1 296.352 2.583 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595427164 349622272 /nfs/dbraw/zinc/62/22/72/349622272.db2.gz 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ZINC000595456781 349632522 /nfs/dbraw/zinc/63/25/22/349632522.db2.gz GFGWTOHOHCCTOT-FXPVBKGRSA-N 1 1 267.329 2.758 20 5 CFBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595462497 349634661 /nfs/dbraw/zinc/63/46/61/349634661.db2.gz VTWCLBCFSDFIGY-AWEZNQCLSA-N 1 1 297.355 2.672 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595473220 349637596 /nfs/dbraw/zinc/63/75/96/349637596.db2.gz UYCPWBASKOPCAP-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595473220 349637597 /nfs/dbraw/zinc/63/75/97/349637597.db2.gz UYCPWBASKOPCAP-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000595473739 349637749 /nfs/dbraw/zinc/63/77/49/349637749.db2.gz BGOZTBLLEFQUQC-ZFWWWQNUSA-N 1 1 294.326 2.877 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1COC(C)(C)C1 ZINC000595476773 349638563 /nfs/dbraw/zinc/63/85/63/349638563.db2.gz PCTWUWIWFVUYPM-AWEZNQCLSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595521988 349650020 /nfs/dbraw/zinc/65/00/20/349650020.db2.gz HLBQFYNHMIMGAK-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595509720 349646859 /nfs/dbraw/zinc/64/68/59/349646859.db2.gz IAQQEIWEPGJTFD-ZAZJYDDPSA-N 1 1 289.335 2.535 20 5 CFBDMO Cc1noc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595540921 349654940 /nfs/dbraw/zinc/65/49/40/349654940.db2.gz AEJKOUAJRSDQFA-MRVPVSSYSA-N 1 1 253.302 2.512 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000069064043 346881614 /nfs/dbraw/zinc/88/16/14/346881614.db2.gz ZFUVYRLGHOAMRW-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595564477 349661532 /nfs/dbraw/zinc/66/15/32/349661532.db2.gz ZRPQHYXLYNFCLN-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595564477 349661534 /nfs/dbraw/zinc/66/15/34/349661534.db2.gz ZRPQHYXLYNFCLN-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[C@H]1O ZINC000595737443 349720627 /nfs/dbraw/zinc/72/06/27/349720627.db2.gz BXGHFFBRLPRFGZ-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[C@H]1O ZINC000595737443 349720628 /nfs/dbraw/zinc/72/06/28/349720628.db2.gz BXGHFFBRLPRFGZ-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCCOC1 ZINC000595750528 349722755 /nfs/dbraw/zinc/72/27/55/349722755.db2.gz CEKJTAWDBKGFJF-GFCCVEGCSA-N 1 1 276.336 2.934 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756878 349725008 /nfs/dbraw/zinc/72/50/08/349725008.db2.gz HCPZQKALWOXYNU-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829442 349744704 /nfs/dbraw/zinc/74/47/04/349744704.db2.gz HXIKMQXSDSFWEC-KWCYVHTRSA-N 1 1 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CN(C)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000097929452 232183011 /nfs/dbraw/zinc/18/30/11/232183011.db2.gz KIIQWBAPRSQXJJ-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026159212 346264120 /nfs/dbraw/zinc/26/41/20/346264120.db2.gz FZTOWACTRSUDIW-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000295137007 199365981 /nfs/dbraw/zinc/36/59/81/199365981.db2.gz PGWUPMQMINFRTL-OAHLLOKOSA-N 1 1 278.352 2.762 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030148673 346286318 /nfs/dbraw/zinc/28/63/18/346286318.db2.gz ZWVYBSFJLHYXPU-NSHDSACASA-N 1 1 279.340 2.510 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000038037538 346337061 /nfs/dbraw/zinc/33/70/61/346337061.db2.gz CXMLFRQWROJBRQ-NSHDSACASA-N 1 1 286.335 2.852 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596651239 349968282 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CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078563290 347261902 /nfs/dbraw/zinc/26/19/02/347261902.db2.gz OKZCASUWTLLRFM-LLVKDONJSA-N 1 1 283.397 2.824 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000080960985 347389578 /nfs/dbraw/zinc/38/95/78/347389578.db2.gz DIIRAWSCFACJKU-NSHDSACASA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000080960985 347389580 /nfs/dbraw/zinc/38/95/80/347389580.db2.gz DIIRAWSCFACJKU-NSHDSACASA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974513 347391477 /nfs/dbraw/zinc/39/14/77/347391477.db2.gz NKMYOOMAGNXWAY-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000091457842 347587360 /nfs/dbraw/zinc/58/73/60/347587360.db2.gz MVEJHLDHIMVNKU-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000091457841 347587447 /nfs/dbraw/zinc/58/74/47/347587447.db2.gz MVEJHLDHIMVNKU-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000091486190 347590792 /nfs/dbraw/zinc/59/07/92/347590792.db2.gz QWSKMRMIAHIMMZ-DOMZBBRYSA-N 1 1 275.352 2.515 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000092506053 347629662 /nfs/dbraw/zinc/62/96/62/347629662.db2.gz XSPQFTOIYXGMFZ-UHFFFAOYSA-N 1 1 292.379 2.923 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000092649570 347636770 /nfs/dbraw/zinc/63/67/70/347636770.db2.gz ZHXNFFYEFDCWSH-SECBINFHSA-N 1 1 297.330 2.637 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000093821819 347685013 /nfs/dbraw/zinc/68/50/13/347685013.db2.gz OHSQICVNSBDSIH-LOWQCSRCSA-N 1 1 292.379 2.947 20 5 CFBDMO C[C@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000169254852 348050929 /nfs/dbraw/zinc/05/09/29/348050929.db2.gz QMTQPPFREGZCCM-CQSZACIVSA-N 1 1 292.360 2.654 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(C)(C)O ZINC000266990354 348326202 /nfs/dbraw/zinc/32/62/02/348326202.db2.gz AQKBBDAFNISGAH-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CCC[N@@H+](CC)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311629031 348414022 /nfs/dbraw/zinc/41/40/22/348414022.db2.gz VBWPTDMIGAYBQH-UHFFFAOYSA-N 1 1 286.763 2.787 20 5 CFBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000273373198 192130240 /nfs/dbraw/zinc/13/02/40/192130240.db2.gz BAEDRBHDQZHRSY-UHFFFAOYSA-N 1 1 294.351 2.677 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314910533 348427762 /nfs/dbraw/zinc/42/77/62/348427762.db2.gz OIOADQLJIZPPLF-WWGRRREGSA-N 1 1 289.379 2.717 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C(C)C)CC1 ZINC000273441388 192151517 /nfs/dbraw/zinc/15/15/17/192151517.db2.gz MYEMCNJSVRIGTE-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404444376 348592012 /nfs/dbraw/zinc/59/20/12/348592012.db2.gz WJUJHJLWKXZCNN-DOMZBBRYSA-N 1 1 277.368 2.544 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])sn1 ZINC000404448264 348592197 /nfs/dbraw/zinc/59/21/97/348592197.db2.gz PFXRZVYTHWFHRN-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO Cc1ccc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067830 348770029 /nfs/dbraw/zinc/77/00/29/348770029.db2.gz TWOBLEWFMZWKNN-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000588067651 348770033 /nfs/dbraw/zinc/77/00/33/348770033.db2.gz GPMUGBLNFQOWIL-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000589494689 348835718 /nfs/dbraw/zinc/83/57/18/348835718.db2.gz YFJLJQFRHAQXOX-NSHDSACASA-N 1 1 292.335 2.613 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000589584266 348839742 /nfs/dbraw/zinc/83/97/42/348839742.db2.gz OAPIZDUTVZRNKS-DTWKUNHWSA-N 1 1 267.354 2.693 20 5 CFBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000589689982 348851110 /nfs/dbraw/zinc/85/11/10/348851110.db2.gz QEMJUDCDZXHOIO-LLVKDONJSA-N 1 1 281.331 2.573 20 5 CFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](C)OC ZINC000589753367 348855326 /nfs/dbraw/zinc/85/53/26/348855326.db2.gz QWFANVWVMTZROM-JTQLQIEISA-N 1 1 293.323 2.593 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000590373253 348897593 /nfs/dbraw/zinc/89/75/93/348897593.db2.gz HOFXKNFAEIARDM-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703959 348931653 /nfs/dbraw/zinc/93/16/53/348931653.db2.gz NWQJDRFCKBWYEL-SNVBAGLBSA-N 1 1 281.381 2.577 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972118 348975714 /nfs/dbraw/zinc/97/57/14/348975714.db2.gz CAJXUSIXGMFVPY-OBMCYFHOSA-N 1 1 288.347 2.719 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000591505406 349027496 /nfs/dbraw/zinc/02/74/96/349027496.db2.gz CTEPWYQBZFSGDN-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057259 349197577 /nfs/dbraw/zinc/19/75/77/349197577.db2.gz DURSYOOLSLXPHN-ZFWWWQNUSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057259 349197578 /nfs/dbraw/zinc/19/75/78/349197578.db2.gz DURSYOOLSLXPHN-ZFWWWQNUSA-N 1 1 278.352 2.984 20 5 CFBDMO C[NH2+]Cc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000593315793 349245693 /nfs/dbraw/zinc/24/56/93/349245693.db2.gz FAPVKIXPYCJWNX-UHFFFAOYSA-N 1 1 285.347 2.604 20 5 CFBDMO COc1cc(NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593479350 349278698 /nfs/dbraw/zinc/27/86/98/349278698.db2.gz BGZBVOLAIFBBLZ-UHFFFAOYSA-N 1 1 295.383 2.993 20 5 CFBDMO COc1cccc(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593481105 349279376 /nfs/dbraw/zinc/27/93/76/349279376.db2.gz VWFVHJYWARDCCU-UHFFFAOYSA-N 1 1 295.383 2.993 20 5 CFBDMO Cc1noc([C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037807 349358957 /nfs/dbraw/zinc/35/89/57/349358957.db2.gz SZALNTDREPESCG-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1noc([C@H](C)[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037807 349358960 /nfs/dbraw/zinc/35/89/60/349358960.db2.gz SZALNTDREPESCG-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1noc(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502029 349432908 /nfs/dbraw/zinc/43/29/08/349432908.db2.gz BNWCZHONEVKEGF-AWEZNQCLSA-N 1 1 287.319 2.977 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000597205348 350055129 /nfs/dbraw/zinc/05/51/29/350055129.db2.gz DHYYGDWSGLPJEW-UHFFFAOYSA-N 1 1 276.336 2.682 20 5 CFBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000597206752 350055162 /nfs/dbraw/zinc/05/51/62/350055162.db2.gz VKJBQAHFRPVTJR-FQCSNUMXSA-N 1 1 290.363 2.557 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC2(COC2)C1 ZINC000597228190 350064023 /nfs/dbraw/zinc/06/40/23/350064023.db2.gz AWLZEDUSANXVNG-NTUHNPAUSA-N 1 1 288.347 2.720 20 5 CFBDMO Cc1cnc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000090692357 180025089 /nfs/dbraw/zinc/02/50/89/180025089.db2.gz JDQUAFMFELNCMB-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[C@H](CSC)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091098621 180096649 /nfs/dbraw/zinc/09/66/49/180096649.db2.gz CKUNPICEAVFMQV-OCCSQVGLSA-N 1 1 298.408 2.702 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000271303009 191061462 /nfs/dbraw/zinc/06/14/62/191061462.db2.gz UTZHBQCDDLOCRR-LTVAEWHBSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000091485410 180167145 /nfs/dbraw/zinc/16/71/45/180167145.db2.gz QVVQWWPFMFMRKN-JQWIXIFHSA-N 1 1 261.325 2.632 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nccnc2C)cc1[N+](=O)[O-] ZINC000598634565 350298072 /nfs/dbraw/zinc/29/80/72/350298072.db2.gz NUDCTOYLWJNULX-LLVKDONJSA-N 1 1 286.335 2.852 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000598645257 350300841 /nfs/dbraw/zinc/30/08/41/350300841.db2.gz BWONHQXHDYFWDO-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000598645257 350300843 /nfs/dbraw/zinc/30/08/43/350300843.db2.gz BWONHQXHDYFWDO-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648325 350301573 /nfs/dbraw/zinc/30/15/73/350301573.db2.gz GEEBVHIFKVWFBG-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648325 350301574 /nfs/dbraw/zinc/30/15/74/350301574.db2.gz GEEBVHIFKVWFBG-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000598998279 350356630 /nfs/dbraw/zinc/35/66/30/350356630.db2.gz DIISGZOTNLNSGG-MRXNPFEDSA-N 1 1 289.379 2.701 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599139009 350382938 /nfs/dbraw/zinc/38/29/38/350382938.db2.gz MLEDSTUUWMJHPV-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599139411 350383164 /nfs/dbraw/zinc/38/31/64/350383164.db2.gz NWALNOUJMZPAML-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000599141081 350383516 /nfs/dbraw/zinc/38/35/16/350383516.db2.gz ZLEFWWVJSJRDSN-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+](C1CC1)C1CC1 ZINC000599597997 350462595 /nfs/dbraw/zinc/46/25/95/350462595.db2.gz CLKZBVHLBRELBT-UHFFFAOYSA-N 1 1 250.273 2.861 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599635059 350469021 /nfs/dbraw/zinc/46/90/21/350469021.db2.gz IBILBJXCTPLFRY-DUVNUKRYSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cnccn1 ZINC000271374778 191105418 /nfs/dbraw/zinc/10/54/18/191105418.db2.gz SBZPPVRVOUEWMN-LBPRGKRZSA-N 1 1 286.335 2.620 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CO ZINC000107904844 186197108 /nfs/dbraw/zinc/19/71/08/186197108.db2.gz KEOYTSCNYDLSLV-JTQLQIEISA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CO ZINC000107904844 186197110 /nfs/dbraw/zinc/19/71/10/186197110.db2.gz KEOYTSCNYDLSLV-JTQLQIEISA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000600157262 350523596 /nfs/dbraw/zinc/52/35/96/350523596.db2.gz UPDBDINWJWGWFS-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000600157262 350523597 /nfs/dbraw/zinc/52/35/97/350523597.db2.gz UPDBDINWJWGWFS-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000600883438 350622755 /nfs/dbraw/zinc/62/27/55/350622755.db2.gz KWPVRCTYZYXIPN-QWHCGFSZSA-N 1 1 291.351 2.572 20 5 CFBDMO CCN(CC(C)(C)O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601115953 350672369 /nfs/dbraw/zinc/67/23/69/350672369.db2.gz FMRCYIHWCZNYGO-UHFFFAOYSA-N 1 1 289.335 2.740 20 5 CFBDMO CO[C@H](C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601163123 350685700 /nfs/dbraw/zinc/68/57/00/350685700.db2.gz DNZJVHWTQLQEON-SNVBAGLBSA-N 1 1 275.308 2.614 20 5 CFBDMO C[C@H](CCCCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601170969 350688144 /nfs/dbraw/zinc/68/81/44/350688144.db2.gz XSDZLGPNTVZBFR-LLVKDONJSA-N 1 1 289.335 2.528 20 5 CFBDMO C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CS1 ZINC000601175575 350689372 /nfs/dbraw/zinc/68/93/72/350689372.db2.gz JGNLKDLTGGEQCK-VHSXEESVSA-N 1 1 289.360 2.871 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000601188614 350692292 /nfs/dbraw/zinc/69/22/92/350692292.db2.gz KSBSDBXSTSHUMQ-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973116 350821596 /nfs/dbraw/zinc/82/15/96/350821596.db2.gz KVRUBKZMDASRMI-UPJWGTAASA-N 1 1 276.336 2.542 20 5 CFBDMO CO[C@@](C)(C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440713 350883388 /nfs/dbraw/zinc/88/33/88/350883388.db2.gz SDPVKXASQMSRID-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H](CF)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664269 350966536 /nfs/dbraw/zinc/96/65/36/350966536.db2.gz YOKZBVOCEFHNFR-RXMQYKEDSA-N 1 1 297.149 2.866 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602740877 351010148 /nfs/dbraw/zinc/01/01/48/351010148.db2.gz QHBXDZVYNLVHJH-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602739934 351010169 /nfs/dbraw/zinc/01/01/69/351010169.db2.gz NHNVITSXJVNHLY-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762268 351015928 /nfs/dbraw/zinc/01/59/28/351015928.db2.gz DUUYSBUOANRYBR-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762268 351015930 /nfs/dbraw/zinc/01/59/30/351015930.db2.gz DUUYSBUOANRYBR-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771605 351020427 /nfs/dbraw/zinc/02/04/27/351020427.db2.gz GAHNZVBXSODMRJ-GHMZBOCLSA-N 1 1 280.372 2.727 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C1CC1)C1CCCC1 ZINC000602778611 351021061 /nfs/dbraw/zinc/02/10/61/351021061.db2.gz ZNZLBZRCEUZBJU-UHFFFAOYSA-N 1 1 278.356 2.507 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1C(C)C ZINC000602778149 351021659 /nfs/dbraw/zinc/02/16/59/351021659.db2.gz FLVLVOWXCUOCGW-ZDUSSCGKSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000602785231 351024774 /nfs/dbraw/zinc/02/47/74/351024774.db2.gz SNYQUQUASJZOPU-MRVWCRGKSA-N 1 1 292.383 2.753 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000602788851 351026118 /nfs/dbraw/zinc/02/61/18/351026118.db2.gz VVBFGISRJRLGHG-CQSZACIVSA-N 1 1 294.399 2.858 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000602997686 351088348 /nfs/dbraw/zinc/08/83/48/351088348.db2.gz OWKIGRCSUPWCIG-JYJNAYRXSA-N 1 1 290.363 2.720 20 5 CFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000603857952 351187206 /nfs/dbraw/zinc/18/72/06/351187206.db2.gz QLHVCHSHSLHVSN-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000608779968 351470765 /nfs/dbraw/zinc/47/07/65/351470765.db2.gz SIZYEJRMTCSNJO-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO CCOC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000608840108 351479855 /nfs/dbraw/zinc/47/98/55/351479855.db2.gz LPHCFWNFZUKXON-UHFFFAOYSA-N 1 1 298.364 2.574 20 5 CFBDMO CCOC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000608840108 351479858 /nfs/dbraw/zinc/47/98/58/351479858.db2.gz LPHCFWNFZUKXON-UHFFFAOYSA-N 1 1 298.364 2.574 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487760 351569609 /nfs/dbraw/zinc/56/96/09/351569609.db2.gz VVDJUYIQNHQRHN-SNVBAGLBSA-N 1 1 260.297 2.511 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487760 351569615 /nfs/dbraw/zinc/56/96/15/351569615.db2.gz VVDJUYIQNHQRHN-SNVBAGLBSA-N 1 1 260.297 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179689 351648825 /nfs/dbraw/zinc/64/88/25/351648825.db2.gz HOVBJBCKQHFFFH-NSHDSACASA-N 1 1 270.279 2.724 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCOC2)C2CC2)cc1 ZINC000611211330 351652744 /nfs/dbraw/zinc/65/27/44/351652744.db2.gz SPJIMRPZSPTZCT-AWEZNQCLSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273789 351662528 /nfs/dbraw/zinc/66/25/28/351662528.db2.gz UPMYPPZOUZNCJX-GHMZBOCLSA-N 1 1 292.335 2.596 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611255566 351658489 /nfs/dbraw/zinc/65/84/89/351658489.db2.gz XBNFCJXAOCIBRQ-JTQLQIEISA-N 1 1 292.335 2.596 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256591 351659177 /nfs/dbraw/zinc/65/91/77/351659177.db2.gz ILEHAXNFQQAFQK-BRLPQQTGSA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000611519599 351703630 /nfs/dbraw/zinc/70/36/30/351703630.db2.gz UFXXXTTXCONGFM-SNVBAGLBSA-N 1 1 274.324 2.520 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273790 351662830 /nfs/dbraw/zinc/66/28/30/351662830.db2.gz UPMYPPZOUZNCJX-MNOVXSKESA-N 1 1 292.335 2.596 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611792872 351740795 /nfs/dbraw/zinc/74/07/95/351740795.db2.gz RKEKUJLBIRALCF-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123144861 187073970 /nfs/dbraw/zinc/07/39/70/187073970.db2.gz ZQYOUIVFTDJKQP-OCCSQVGLSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144861 187073971 /nfs/dbraw/zinc/07/39/71/187073971.db2.gz ZQYOUIVFTDJKQP-OCCSQVGLSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144861 187073972 /nfs/dbraw/zinc/07/39/72/187073972.db2.gz ZQYOUIVFTDJKQP-OCCSQVGLSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000122667755 187045205 /nfs/dbraw/zinc/04/52/05/187045205.db2.gz AHOZCJJWIADQKT-RYUDHWBXSA-N 1 1 291.351 2.511 20 5 CFBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000122667755 187045206 /nfs/dbraw/zinc/04/52/06/187045206.db2.gz AHOZCJJWIADQKT-RYUDHWBXSA-N 1 1 291.351 2.511 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123341781 187086258 /nfs/dbraw/zinc/08/62/58/187086258.db2.gz QDUKZFUGKQXTJS-IUODEOHRSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123341781 187086259 /nfs/dbraw/zinc/08/62/59/187086259.db2.gz QDUKZFUGKQXTJS-IUODEOHRSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123341781 187086260 /nfs/dbraw/zinc/08/62/60/187086260.db2.gz QDUKZFUGKQXTJS-IUODEOHRSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123784341 187108422 /nfs/dbraw/zinc/10/84/22/187108422.db2.gz GLYZMCGFTYGFDK-CZUORRHYSA-N 1 1 292.379 2.763 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000123986856 187117676 /nfs/dbraw/zinc/11/76/76/187117676.db2.gz BFWBLXFFZNFJGR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000123986856 187117677 /nfs/dbraw/zinc/11/76/77/187117677.db2.gz BFWBLXFFZNFJGR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO COC(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153285881 188074442 /nfs/dbraw/zinc/07/44/42/188074442.db2.gz BFVNRIGDIDLDIF-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000153691048 188098238 /nfs/dbraw/zinc/09/82/38/188098238.db2.gz BYCRLZBNUBFYQA-MRVPVSSYSA-N 1 1 284.747 2.538 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000153723157 188099357 /nfs/dbraw/zinc/09/93/57/188099357.db2.gz WCIPVMYFBSZKBI-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2=CCCOC2)C2CC2)cc1 ZINC000154269503 188132694 /nfs/dbraw/zinc/13/26/94/188132694.db2.gz HKLAYIDDFOENNN-UHFFFAOYSA-N 1 1 288.347 2.906 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292507767 198314422 /nfs/dbraw/zinc/31/44/22/198314422.db2.gz VDXJANWCGACWIZ-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292507767 198314423 /nfs/dbraw/zinc/31/44/23/198314423.db2.gz VDXJANWCGACWIZ-CABZTGNLSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000157404632 188315453 /nfs/dbraw/zinc/31/54/53/188315453.db2.gz LQZFKTWLWBGIFI-GFCCVEGCSA-N 1 1 292.364 2.690 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(F)c1 ZINC000292705997 198383023 /nfs/dbraw/zinc/38/30/23/198383023.db2.gz LFUZTGFAVMQFMS-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266051950 283298739 /nfs/dbraw/zinc/29/87/39/283298739.db2.gz ZAKAWKWFRJHGDX-UHFFFAOYSA-N 1 1 272.370 2.639 20 5 CFBDMO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422917117 237345018 /nfs/dbraw/zinc/34/50/18/237345018.db2.gz CMVBFJBYMQCWDA-TZMCWYRMSA-N 1 1 277.368 2.696 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422920536 237349942 /nfs/dbraw/zinc/34/99/42/237349942.db2.gz MXXZNEKBAHRLOV-GUTXKFCHSA-N 1 1 291.395 2.942 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)C1CC1 ZINC000298278241 200380960 /nfs/dbraw/zinc/38/09/60/200380960.db2.gz BCDKGFWQECYVKA-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013638 189085486 /nfs/dbraw/zinc/08/54/86/189085486.db2.gz WLPQUDIURGYUKY-LLVKDONJSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013638 189085487 /nfs/dbraw/zinc/08/54/87/189085487.db2.gz WLPQUDIURGYUKY-LLVKDONJSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1c([C@H](C)NC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423211355 238280101 /nfs/dbraw/zinc/28/01/01/238280101.db2.gz KZCFVOHJEPHWGB-STQMWFEESA-N 1 1 277.368 2.553 20 5 CFBDMO Cc1c([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423346300 238395796 /nfs/dbraw/zinc/39/57/96/238395796.db2.gz ZSJZEHACFUJNJU-BBRMVZONSA-N 1 1 291.395 2.944 20 5 CFBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118415147 291260762 /nfs/dbraw/zinc/26/07/62/291260762.db2.gz QNUWNWKYEXHBIO-GHMZBOCLSA-N 1 1 266.366 2.921 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000301424566 201004200 /nfs/dbraw/zinc/00/42/00/201004200.db2.gz OOZUUUPPLRLYID-SMDDNHRTSA-N 1 1 295.358 2.900 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301458910 201016597 /nfs/dbraw/zinc/01/65/97/201016597.db2.gz ZNPRPMDWJHMGOH-AAEUAGOBSA-N 1 1 295.358 2.900 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(CC(F)F)C1 ZINC000425349486 239011172 /nfs/dbraw/zinc/01/11/72/239011172.db2.gz DICOJWKYIVPSEH-UHFFFAOYSA-N 1 1 256.252 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426526520 239237234 /nfs/dbraw/zinc/23/72/34/239237234.db2.gz TXBRJPSYSBQSSZ-IUODEOHRSA-N 1 1 276.336 2.848 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000444010523 241109455 /nfs/dbraw/zinc/10/94/55/241109455.db2.gz GWTSYBNNOKTWKI-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO CC1(C)CCCN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000444010523 241109456 /nfs/dbraw/zinc/10/94/56/241109456.db2.gz GWTSYBNNOKTWKI-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000446970455 241343204 /nfs/dbraw/zinc/34/32/04/241343204.db2.gz BAVVJFCHQPXXTB-UHFFFAOYSA-N 1 1 282.303 2.814 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cs1 ZINC000449552885 242025268 /nfs/dbraw/zinc/02/52/68/242025268.db2.gz KGOQTCMFTKZVIP-FRRDWIJNSA-N 1 1 296.392 2.639 20 5 CFBDMO COc1cccnc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449749014 242135162 /nfs/dbraw/zinc/13/51/62/242135162.db2.gz OEXIPINMLZRIJX-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000449779671 242156562 /nfs/dbraw/zinc/15/65/62/242156562.db2.gz DKOMUZHHIPKXLA-UHFFFAOYSA-N 1 1 295.358 2.698 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449791800 242168693 /nfs/dbraw/zinc/16/86/93/242168693.db2.gz QIEWJSSNHQOTSS-RRFAQUSLSA-N 1 1 290.363 2.702 20 5 CFBDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451293513 242794327 /nfs/dbraw/zinc/79/43/27/242794327.db2.gz VVGBDUNUHCZNHI-CQSZACIVSA-N 1 1 280.372 2.692 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000452034168 243016841 /nfs/dbraw/zinc/01/68/41/243016841.db2.gz DQDRYAZFHIWKJR-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452075117 243036131 /nfs/dbraw/zinc/03/61/31/243036131.db2.gz HWKUGNHWULDLNC-NSHDSACASA-N 1 1 280.372 2.586 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330691290 203121131 /nfs/dbraw/zinc/12/11/31/203121131.db2.gz BCJICWUEUQNCJX-HUUCEWRRSA-N 1 1 292.379 2.824 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920654 203389915 /nfs/dbraw/zinc/38/99/15/203389915.db2.gz ZUJSQCKYIRPBSA-TZMCWYRMSA-N 1 1 278.352 2.578 20 5 CFBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340155 284234881 /nfs/dbraw/zinc/23/48/81/284234881.db2.gz KXVNYOAEXWTQBC-NHYWBVRUSA-N 1 1 292.335 2.541 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccccn2)cc1[N+](=O)[O-] ZINC000034994653 372527230 /nfs/dbraw/zinc/52/72/30/372527230.db2.gz CMFVXVOPVMAXRT-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000047611258 373108171 /nfs/dbraw/zinc/10/81/71/373108171.db2.gz IALPCJLMMRPUHZ-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO COc1ccc(C[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000047721347 373116228 /nfs/dbraw/zinc/11/62/28/373116228.db2.gz LBHKAHBBHMFJNX-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000048068912 373144065 /nfs/dbraw/zinc/14/40/65/373144065.db2.gz QPSGPGKANLZJRM-UHFFFAOYSA-N 1 1 288.303 2.599 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963782 373337235 /nfs/dbraw/zinc/33/72/35/373337235.db2.gz DNPMSRRZSPHBSO-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000049963782 373337245 /nfs/dbraw/zinc/33/72/45/373337245.db2.gz DNPMSRRZSPHBSO-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO CC[N@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110069 373497097 /nfs/dbraw/zinc/49/70/97/373497097.db2.gz NUJJYOCDXJEOHS-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110069 373497099 /nfs/dbraw/zinc/49/70/99/373497099.db2.gz NUJJYOCDXJEOHS-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO C[N@@H+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000062010327 373742727 /nfs/dbraw/zinc/74/27/27/373742727.db2.gz IFYHPSYNDWQGRW-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO C[N@@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000062010321 373743727 /nfs/dbraw/zinc/74/37/27/373743727.db2.gz MQODJAGCUYCLTM-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO COc1ccc(C[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000065961443 373907412 /nfs/dbraw/zinc/90/74/12/373907412.db2.gz HEAUEXFBZGWKBK-UHFFFAOYSA-N 1 1 252.314 2.691 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000068451021 374029973 /nfs/dbraw/zinc/02/99/73/374029973.db2.gz OMJAFIGAODTECN-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489898377 245981540 /nfs/dbraw/zinc/98/15/40/245981540.db2.gz OLYZZUBVHVCUEC-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000264102490 383696980 /nfs/dbraw/zinc/69/69/80/383696980.db2.gz RWOMREDYCQLJSS-UHFFFAOYSA-N 1 1 266.341 2.576 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCC1 ZINC000072721837 374280474 /nfs/dbraw/zinc/28/04/74/374280474.db2.gz SOOGOQNSORMCSB-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072827316 374289472 /nfs/dbraw/zinc/28/94/72/374289472.db2.gz KQQIDKKFRVNTBS-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H](C)O ZINC000075783462 374503947 /nfs/dbraw/zinc/50/39/47/374503947.db2.gz VGVPBGBXOKMGRX-GFCCVEGCSA-N 1 1 296.367 2.585 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000492295117 246247793 /nfs/dbraw/zinc/24/77/93/246247793.db2.gz PEZGPRAUXHLDFX-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000492295117 246247797 /nfs/dbraw/zinc/24/77/97/246247797.db2.gz PEZGPRAUXHLDFX-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090794523 375027736 /nfs/dbraw/zinc/02/77/36/375027736.db2.gz GMLKHWKHJUYTHL-NWDGAFQWSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795054 375030412 /nfs/dbraw/zinc/03/04/12/375030412.db2.gz HLNNMJNZIGMOHN-MWLCHTKSSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672425 375137748 /nfs/dbraw/zinc/13/77/48/375137748.db2.gz FQADMQIJJVVPTD-YPMHNXCESA-N 1 1 275.352 2.940 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093770197 375309727 /nfs/dbraw/zinc/30/97/27/375309727.db2.gz IZCYTAVKVGLJLG-HNNXBMFYSA-N 1 1 291.395 2.677 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000102409722 375672764 /nfs/dbraw/zinc/67/27/64/375672764.db2.gz ZICWTQKCRFSKGU-HNNXBMFYSA-N 1 1 286.335 2.628 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000507148023 247166053 /nfs/dbraw/zinc/16/60/53/247166053.db2.gz ZYUXCFMYIJDLKW-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000507148023 247166055 /nfs/dbraw/zinc/16/60/55/247166055.db2.gz ZYUXCFMYIJDLKW-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000121738915 376896194 /nfs/dbraw/zinc/89/61/94/376896194.db2.gz PXXWBEJQFBSEAQ-UWVGGRQHSA-N 1 1 299.321 2.792 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000123584774 376959421 /nfs/dbraw/zinc/95/94/21/376959421.db2.gz UOOIXYIDUBHKOG-UHFFFAOYSA-N 1 1 276.336 2.850 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124057142 377012173 /nfs/dbraw/zinc/01/21/73/377012173.db2.gz KSDSFXWBIIFGHM-GHMZBOCLSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc(CCn2c[nH+]c3c2CCCC3)cc1 ZINC000130455513 377560825 /nfs/dbraw/zinc/56/08/25/377560825.db2.gz FQMJJYXISABBDG-UHFFFAOYSA-N 1 1 271.320 2.913 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000131344306 377698516 /nfs/dbraw/zinc/69/85/16/377698516.db2.gz GDRQTHZCMOJXRG-LLVKDONJSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1ccc(C[N@H+]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000131344306 377698523 /nfs/dbraw/zinc/69/85/23/377698523.db2.gz GDRQTHZCMOJXRG-LLVKDONJSA-N 1 1 266.366 2.841 20 5 CFBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000133504021 377935499 /nfs/dbraw/zinc/93/54/99/377935499.db2.gz QVBCCFYTFRGXFT-IUCAKERBSA-N 1 1 296.758 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152903921 378457902 /nfs/dbraw/zinc/45/79/02/378457902.db2.gz MPKYGRLYYOCZCI-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO CCC1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331036322 378618601 /nfs/dbraw/zinc/61/86/01/378618601.db2.gz BFFOTQUKPOXBGQ-UHFFFAOYSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC[C@@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331046825 378621136 /nfs/dbraw/zinc/62/11/36/378621136.db2.gz GIDXOBGUJDKCOR-AWEZNQCLSA-N 1 1 280.372 2.731 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280715 378663657 /nfs/dbraw/zinc/66/36/57/378663657.db2.gz IENSNNQDXICSKR-SCVCMEIPSA-N 1 1 284.381 2.638 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280715 378663662 /nfs/dbraw/zinc/66/36/62/378663662.db2.gz IENSNNQDXICSKR-SCVCMEIPSA-N 1 1 284.381 2.638 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281857 378663916 /nfs/dbraw/zinc/66/39/16/378663916.db2.gz ITLKHUCSXZOSKX-JRPNMDOOSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158715721 378672044 /nfs/dbraw/zinc/67/20/44/378672044.db2.gz FGGCSQXOBILHOT-DOMZBBRYSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159238731 378696146 /nfs/dbraw/zinc/69/61/46/378696146.db2.gz NKPSWBHZLNIQLP-RISCZKNCSA-N 1 1 278.352 2.639 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331173771 378644366 /nfs/dbraw/zinc/64/43/66/378644366.db2.gz PACWYCWPCFLMQL-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(C[N@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331173771 378644370 /nfs/dbraw/zinc/64/43/70/378644370.db2.gz PACWYCWPCFLMQL-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332209194 378735035 /nfs/dbraw/zinc/73/50/35/378735035.db2.gz JHXVCGBXVUSOKA-ZOBORPQBSA-N 1 1 290.363 2.749 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000161293399 378837457 /nfs/dbraw/zinc/83/74/57/378837457.db2.gz WYPMLFLCJIQVIP-CYBMUJFWSA-N 1 1 292.383 2.770 20 5 CFBDMO COC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172075723 379486476 /nfs/dbraw/zinc/48/64/76/379486476.db2.gz XXIAYKDSQSCVMZ-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000173324847 379726541 /nfs/dbraw/zinc/72/65/41/379726541.db2.gz MAVIJIITCJZVOB-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@@H](c1cccs1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822074 379946964 /nfs/dbraw/zinc/94/69/64/379946964.db2.gz IMCIFCSUNOUHBR-JTQLQIEISA-N 1 1 280.353 2.546 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000177873747 380389210 /nfs/dbraw/zinc/38/92/10/380389210.db2.gz HNYMPWZFXUWWIZ-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000177986585 380399842 /nfs/dbraw/zinc/39/98/42/380399842.db2.gz JQKJOKMGTXOKLY-ABAIWWIYSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@H]1CCSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000279167549 194313684 /nfs/dbraw/zinc/31/36/84/194313684.db2.gz BROOMBGXCDPRJM-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000287546495 380861268 /nfs/dbraw/zinc/86/12/68/380861268.db2.gz WDPYVBHDBDGCME-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000287842851 380954585 /nfs/dbraw/zinc/95/45/85/380954585.db2.gz QTPGEJSYGHNFGU-NSHDSACASA-N 1 1 296.342 2.859 20 5 CFBDMO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182089158 380988364 /nfs/dbraw/zinc/98/83/64/380988364.db2.gz SCMUHOQJXAODIK-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO COCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182089158 380988367 /nfs/dbraw/zinc/98/83/67/380988367.db2.gz SCMUHOQJXAODIK-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347360743 381097146 /nfs/dbraw/zinc/09/71/46/381097146.db2.gz OEILYOOKLHCFDB-RAXLEYEMSA-N 1 1 278.352 2.702 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000347375711 381107689 /nfs/dbraw/zinc/10/76/89/381107689.db2.gz KFVBVTLDRUAMRG-QFGWSVGLSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000295843609 381111683 /nfs/dbraw/zinc/11/16/83/381111683.db2.gz ZUBAFFXQESEDMB-ZDUSSCGKSA-N 1 1 296.367 2.585 20 5 CFBDMO Cc1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000289637327 381078593 /nfs/dbraw/zinc/07/85/93/381078593.db2.gz XIEJYTJSOMLLFH-CYBMUJFWSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018267 381213740 /nfs/dbraw/zinc/21/37/40/381213740.db2.gz RQXAZTQGMADGAC-BPZRQAJTSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018267 381213744 /nfs/dbraw/zinc/21/37/44/381213744.db2.gz RQXAZTQGMADGAC-BPZRQAJTSA-N 1 1 289.379 2.871 20 5 CFBDMO CSCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183356364 381260012 /nfs/dbraw/zinc/26/00/12/381260012.db2.gz OQNFNUAQDLYBBZ-UHFFFAOYSA-N 1 1 254.355 2.698 20 5 CFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000183181246 381229566 /nfs/dbraw/zinc/22/95/66/381229566.db2.gz VBXRRTJXZKRHND-GFCCVEGCSA-N 1 1 294.351 2.677 20 5 CFBDMO CO[C@@H](C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000354370219 381229851 /nfs/dbraw/zinc/22/98/51/381229851.db2.gz ZFJSQLAVCZRELQ-NSHDSACASA-N 1 1 284.331 2.979 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000354370219 381229864 /nfs/dbraw/zinc/22/98/64/381229864.db2.gz ZFJSQLAVCZRELQ-NSHDSACASA-N 1 1 284.331 2.979 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183252687 381243074 /nfs/dbraw/zinc/24/30/74/381243074.db2.gz YGZQSDITGIYMON-UHFFFAOYSA-N 1 1 280.368 2.888 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093503 381296488 /nfs/dbraw/zinc/29/64/88/381296488.db2.gz HNPQVJPLKRCFCN-OLZOCXBDSA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093503 381296491 /nfs/dbraw/zinc/29/64/91/381296491.db2.gz HNPQVJPLKRCFCN-OLZOCXBDSA-N 1 1 279.384 2.974 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000290105364 381301906 /nfs/dbraw/zinc/30/19/06/381301906.db2.gz HWGKFXPBJXNIDY-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000370044962 381372227 /nfs/dbraw/zinc/37/22/27/381372227.db2.gz ITCGOYAZZOGWBH-ZDUSSCGKSA-N 1 1 292.383 2.873 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000370055834 381375832 /nfs/dbraw/zinc/37/58/32/381375832.db2.gz NHIFTOJSANYIOQ-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@@H]1COCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370181544 381399992 /nfs/dbraw/zinc/39/99/92/381399992.db2.gz GYYRECARWJVTKP-BPJJOFIESA-N 1 1 276.336 2.576 20 5 CFBDMO C[C@H](O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000354736809 381429760 /nfs/dbraw/zinc/42/97/60/381429760.db2.gz RMXWQXPCLPBTAZ-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000290453269 381435462 /nfs/dbraw/zinc/43/54/62/381435462.db2.gz BVHJZFOZBOQKAS-SNVBAGLBSA-N 1 1 299.396 2.507 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342679754 381474217 /nfs/dbraw/zinc/47/42/17/381474217.db2.gz FWIBDSLASZKVAU-HNNXBMFYSA-N 1 1 277.368 2.509 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000290643664 381507791 /nfs/dbraw/zinc/50/77/91/381507791.db2.gz YPPSOJJINDTYKG-OAHLLOKOSA-N 1 1 280.368 2.742 20 5 CFBDMO Cc1[nH+]ccn1CCCSc1ccc([N+](=O)[O-])cn1 ZINC000342735115 381508120 /nfs/dbraw/zinc/50/81/20/381508120.db2.gz WMLPXCXSKVADPT-UHFFFAOYSA-N 1 1 278.337 2.677 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000359606247 381501265 /nfs/dbraw/zinc/50/12/65/381501265.db2.gz BVGUDBNMIJEPRC-CQSZACIVSA-N 1 1 290.294 2.557 20 5 CFBDMO CCCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185147399 381544875 /nfs/dbraw/zinc/54/48/75/381544875.db2.gz AFJDEVPHZFVJST-UHFFFAOYSA-N 1 1 297.330 2.794 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185232310 381572705 /nfs/dbraw/zinc/57/27/05/381572705.db2.gz 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2.654 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000298747330 381735231 /nfs/dbraw/zinc/73/52/31/381735231.db2.gz ZZAMRUIXKCZZIF-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000343477869 381741431 /nfs/dbraw/zinc/74/14/31/381741431.db2.gz PAXVWUYMROTXAX-NWDGAFQWSA-N 1 1 278.356 2.501 20 5 CFBDMO C[C@H]1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343456849 381724134 /nfs/dbraw/zinc/72/41/34/381724134.db2.gz JZRPTNZJJUWTDR-WPRPVWTQSA-N 1 1 284.747 2.538 20 5 CFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292244323 381796227 /nfs/dbraw/zinc/79/62/27/381796227.db2.gz JRZAGWZOEANPIT-AWEZNQCLSA-N 1 1 295.770 2.780 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335001 381761502 /nfs/dbraw/zinc/76/15/02/381761502.db2.gz NFKVBEFMCUQMSZ-NEPJUHHUSA-N 1 1 280.372 2.729 20 5 CFBDMO CC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343518664 381767449 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CCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299390802 381921808 /nfs/dbraw/zinc/92/18/08/381921808.db2.gz RFLRGOJMFJAFMM-UHFFFAOYSA-N 1 1 299.758 2.919 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000186494879 381926633 /nfs/dbraw/zinc/92/66/33/381926633.db2.gz XBGGCCZEUVZWFZ-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000186494879 381926645 /nfs/dbraw/zinc/92/66/45/381926645.db2.gz XBGGCCZEUVZWFZ-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000343872942 381996680 /nfs/dbraw/zinc/99/66/80/381996680.db2.gz MEUZTMCOEFCJTK-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC000293126041 381999913 /nfs/dbraw/zinc/99/99/13/381999913.db2.gz MQADMYBACYHJQV-TZMCWYRMSA-N 1 1 278.352 2.811 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000373442168 382005265 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CCCC[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020161 382072289 /nfs/dbraw/zinc/07/22/89/382072289.db2.gz NKOFVOCISIBCDE-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020161 382072296 /nfs/dbraw/zinc/07/22/96/382072296.db2.gz NKOFVOCISIBCDE-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293323420 382079184 /nfs/dbraw/zinc/07/91/84/382079184.db2.gz GBWRCNXWTSJVQO-XQQFMLRXSA-N 1 1 277.368 2.680 20 5 CFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301269986 382130514 /nfs/dbraw/zinc/13/05/14/382130514.db2.gz HKXKXEUMEJVNGY-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000301306935 382145863 /nfs/dbraw/zinc/14/58/63/382145863.db2.gz VIBPJLKQACXQJT-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cc(C2=CC[N@@H+](CCCF)CC2)cc([N+](=O)[O-])c1N ZINC000377145327 382226035 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CC[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000352642806 382429520 /nfs/dbraw/zinc/42/95/20/382429520.db2.gz KDZORVNFMONHNY-LBPRGKRZSA-N 1 1 294.351 2.986 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000352671013 382446051 /nfs/dbraw/zinc/44/60/51/382446051.db2.gz HOUJBGJVGPAXBJ-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C1 ZINC000352730604 382463537 /nfs/dbraw/zinc/46/35/37/382463537.db2.gz FTXFHUWFISBZSH-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+]1C ZINC000421010771 382505327 /nfs/dbraw/zinc/50/53/27/382505327.db2.gz RDXAQRQSAKHMJO-STQMWFEESA-N 1 1 277.368 2.682 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649735 382538729 /nfs/dbraw/zinc/53/87/29/382538729.db2.gz DAIWJSRCJYKJBB-GJZGRUSLSA-N 1 1 290.363 2.762 20 5 CFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826291 382577881 /nfs/dbraw/zinc/57/78/81/382577881.db2.gz SLXFPCHHWICFCF-AAEUAGOBSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@@H+](CCCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353665965 382599783 /nfs/dbraw/zinc/59/97/83/382599783.db2.gz MRYWCMBWCZSZEX-UHFFFAOYSA-N 1 1 280.368 2.923 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1CC(O)C1 ZINC000190147666 382654790 /nfs/dbraw/zinc/65/47/90/382654790.db2.gz JDWTUYZNQJQPGD-DCBWTQNWSA-N 1 1 278.352 2.667 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000194093306 382735297 /nfs/dbraw/zinc/73/52/97/382735297.db2.gz IMOFIZIHTHNQRS-UHFFFAOYSA-N 1 1 280.324 2.692 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193691750 382722475 /nfs/dbraw/zinc/72/24/75/382722475.db2.gz QNUBLSIQTGKVAF-UHFFFAOYSA-N 1 1 279.296 2.877 20 5 CFBDMO Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000336841050 382731437 /nfs/dbraw/zinc/73/14/37/382731437.db2.gz RDFZJCCKZBEQCQ-JTQLQIEISA-N 1 1 281.331 2.937 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195511647 382768612 /nfs/dbraw/zinc/76/86/12/382768612.db2.gz OBFVGWOTOPYBQJ-JTQLQIEISA-N 1 1 284.385 2.584 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217401022 382786274 /nfs/dbraw/zinc/78/62/74/382786274.db2.gz OTLKYSBSAXTEFE-ZDUSSCGKSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000217401022 382786277 /nfs/dbraw/zinc/78/62/77/382786277.db2.gz OTLKYSBSAXTEFE-ZDUSSCGKSA-N 1 1 279.384 2.723 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000221257919 382798319 /nfs/dbraw/zinc/79/83/19/382798319.db2.gz UWESZBVEQKYOSC-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000227649453 382838830 /nfs/dbraw/zinc/83/88/30/382838830.db2.gz SDCLUONARSURTD-NEPJUHHUSA-N 1 1 296.758 2.682 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000577032145 382844714 /nfs/dbraw/zinc/84/47/14/382844714.db2.gz IQQTYZIPENQUFB-JTQLQIEISA-N 1 1 298.362 2.848 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000494688567 382919677 /nfs/dbraw/zinc/91/96/77/382919677.db2.gz TYEUTLSMIVAVBM-QMMMGPOBSA-N 1 1 280.715 2.822 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224404 382972654 /nfs/dbraw/zinc/97/26/54/382972654.db2.gz MLVAWHUOWABFCK-RISCZKNCSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198284 382969818 /nfs/dbraw/zinc/96/98/18/382969818.db2.gz ALQMEQRHCGHJSB-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO CC1(C)C[C@@H]([NH2+][C@@H](CN)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265454 383054299 /nfs/dbraw/zinc/05/42/99/383054299.db2.gz AVJQKMCHSOGDRX-CABCVRRESA-N 1 1 289.379 2.644 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448362732 383058168 /nfs/dbraw/zinc/05/81/68/383058168.db2.gz OWFPCQRJOLADDU-WASHYIJTSA-N 1 1 290.363 2.701 20 5 CFBDMO CCn1ccnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000579918371 383066159 /nfs/dbraw/zinc/06/61/59/383066159.db2.gz LMGAMJUTZHDBCH-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO CCOC1CC(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000552068573 383068337 /nfs/dbraw/zinc/06/83/37/383068337.db2.gz URTUAAPXHYKJNB-UHFFFAOYSA-N 1 1 290.363 2.768 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000447899821 383027296 /nfs/dbraw/zinc/02/72/96/383027296.db2.gz XCMPNOJYMFMNMD-HNNXBMFYSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000447899821 383027301 /nfs/dbraw/zinc/02/73/01/383027301.db2.gz XCMPNOJYMFMNMD-HNNXBMFYSA-N 1 1 291.395 2.805 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002246 383121332 /nfs/dbraw/zinc/12/13/32/383121332.db2.gz YFYKVWQFKZWBSH-KXQLTZBTSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@@H]1CCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002246 383121337 /nfs/dbraw/zinc/12/13/37/383121337.db2.gz YFYKVWQFKZWBSH-KXQLTZBTSA-N 1 1 289.379 2.539 20 5 CFBDMO CC[C@H](CSC)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339062389 383135477 /nfs/dbraw/zinc/13/54/77/383135477.db2.gz DRRKQBDLNKBWSV-LLVKDONJSA-N 1 1 284.381 2.874 20 5 CFBDMO CC[C@H](CSC)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339062389 383135484 /nfs/dbraw/zinc/13/54/84/383135484.db2.gz DRRKQBDLNKBWSV-LLVKDONJSA-N 1 1 284.381 2.874 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)cc1 ZINC000518482865 383199617 /nfs/dbraw/zinc/19/96/17/383199617.db2.gz HTWIBWNYEORIQK-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247380227 383169199 /nfs/dbraw/zinc/16/91/99/383169199.db2.gz PSNHZTAIRSLENQ-SWLSCSKDSA-N 1 1 276.336 2.768 20 5 CFBDMO CC1=CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339624884 383266526 /nfs/dbraw/zinc/26/65/26/383266526.db2.gz ZQSQJHWDXSPRBN-UHFFFAOYSA-N 1 1 289.335 2.575 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248624129 383273023 /nfs/dbraw/zinc/27/30/23/383273023.db2.gz NRPIBLSHTWENOW-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248624129 383273028 /nfs/dbraw/zinc/27/30/28/383273028.db2.gz NRPIBLSHTWENOW-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248624129 383273033 /nfs/dbraw/zinc/27/30/33/383273033.db2.gz NRPIBLSHTWENOW-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248341806 383226178 /nfs/dbraw/zinc/22/61/78/383226178.db2.gz JEHOJJIWAPYOPF-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492058 383329750 /nfs/dbraw/zinc/32/97/50/383329750.db2.gz BDZCITVGLOLTFV-PPDNHJNESA-N 1 1 290.363 2.965 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000339789009 383318488 /nfs/dbraw/zinc/31/84/88/383318488.db2.gz USWVLSVIFGNWRP-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339789009 383318491 /nfs/dbraw/zinc/31/84/91/383318491.db2.gz USWVLSVIFGNWRP-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251843915 383397609 /nfs/dbraw/zinc/39/76/09/383397609.db2.gz MYRBSMMCCBUYBK-MWLCHTKSSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251843915 383397612 /nfs/dbraw/zinc/39/76/12/383397612.db2.gz MYRBSMMCCBUYBK-MWLCHTKSSA-N 1 1 270.354 2.513 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252672914 383426590 /nfs/dbraw/zinc/42/65/90/383426590.db2.gz DYTWDWGQAFJCSD-KBPBESRZSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668623 383426626 /nfs/dbraw/zinc/42/66/26/383426626.db2.gz YQTZSSMKSUXKGB-MNOVXSKESA-N 1 1 279.315 2.773 20 5 CFBDMO COCCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255299614 383478818 /nfs/dbraw/zinc/47/88/18/383478818.db2.gz OSKUBFGZDCEGAC-YVMONPNESA-N 1 1 264.325 2.576 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450823969 383505368 /nfs/dbraw/zinc/50/53/68/383505368.db2.gz CRCSMDLVCKKLFR-GFCCVEGCSA-N 1 1 281.331 2.654 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000570207845 383581947 /nfs/dbraw/zinc/58/19/47/383581947.db2.gz TWAGOKAMAYCJJW-LLVKDONJSA-N 1 1 270.354 2.656 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000570207845 383581952 /nfs/dbraw/zinc/58/19/52/383581952.db2.gz TWAGOKAMAYCJJW-LLVKDONJSA-N 1 1 270.354 2.656 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1C ZINC000430220979 383590624 /nfs/dbraw/zinc/59/06/24/383590624.db2.gz RFOPIPGKZVOGDT-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1C ZINC000430220979 383590631 /nfs/dbraw/zinc/59/06/31/383590631.db2.gz RFOPIPGKZVOGDT-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000341095487 383563527 /nfs/dbraw/zinc/56/35/27/383563527.db2.gz GMHUEQUGLYIZTA-TXEJJXNPSA-N 1 1 278.356 2.665 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000450954618 383566495 /nfs/dbraw/zinc/56/64/95/383566495.db2.gz NSBQZGLWTDDBBN-JTQLQIEISA-N 1 1 298.774 2.562 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000341117311 383570347 /nfs/dbraw/zinc/57/03/47/383570347.db2.gz JWGZFQASJBSMPB-NSHDSACASA-N 1 1 297.403 2.652 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000341119401 383571906 /nfs/dbraw/zinc/57/19/06/383571906.db2.gz LJQUKRQUSFAVCM-LLVKDONJSA-N 1 1 297.403 2.652 20 5 CFBDMO CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551325 383643657 /nfs/dbraw/zinc/64/36/57/383643657.db2.gz UHBQVZHGIOHAAQ-GOEBONIOSA-N 1 1 292.379 2.935 20 5 CFBDMO C[C@@H](O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553140 383645458 /nfs/dbraw/zinc/64/54/58/383645458.db2.gz XLUNHERPWMSQPK-UKRRQHHQSA-N 1 1 292.379 2.935 20 5 CFBDMO CC[N@@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735521 383812654 /nfs/dbraw/zinc/81/26/54/383812654.db2.gz XYPFRQNKEMJDRQ-HNNXBMFYSA-N 1 1 291.395 2.902 20 5 CFBDMO CCN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735521 383812659 /nfs/dbraw/zinc/81/26/59/383812659.db2.gz XYPFRQNKEMJDRQ-HNNXBMFYSA-N 1 1 291.395 2.902 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCNc2cc[nH+]cc2Cl)cc1 ZINC000531408080 383863754 /nfs/dbraw/zinc/86/37/54/383863754.db2.gz NPFXYGGNSVTISG-UHFFFAOYSA-N 1 1 293.710 2.556 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272289 383881750 /nfs/dbraw/zinc/88/17/50/383881750.db2.gz XNOBETZOSLLWBA-HUUCEWRRSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983673 383953073 /nfs/dbraw/zinc/95/30/73/383953073.db2.gz SMVJGUWVZZKOPH-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983673 383953079 /nfs/dbraw/zinc/95/30/79/383953079.db2.gz SMVJGUWVZZKOPH-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO CC[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983863 383953150 /nfs/dbraw/zinc/95/31/50/383953150.db2.gz CQLYRTRIRNTEKL-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983863 383953163 /nfs/dbraw/zinc/95/31/63/383953163.db2.gz CQLYRTRIRNTEKL-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000574284669 384073455 /nfs/dbraw/zinc/07/34/55/384073455.db2.gz GXZITHAFGHJKOE-ZFWWWQNUSA-N 1 1 288.347 2.596 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598014 384110760 /nfs/dbraw/zinc/11/07/60/384110760.db2.gz MTGSIUXXVSQRMI-AMIZOPFISA-N 1 1 297.305 2.768 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266508626 384188523 /nfs/dbraw/zinc/18/85/23/384188523.db2.gz CYNLMCCOFJSHSA-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000267036378 384283571 /nfs/dbraw/zinc/28/35/71/384283571.db2.gz NSQRXGIYMLOOPD-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000267036378 384283577 /nfs/dbraw/zinc/28/35/77/384283577.db2.gz NSQRXGIYMLOOPD-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000277384866 384286783 /nfs/dbraw/zinc/28/67/83/384286783.db2.gz ISENKPKXKJCPIG-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000277778876 384402728 /nfs/dbraw/zinc/40/27/28/384402728.db2.gz NQOGSYDDKJDDON-HNNXBMFYSA-N 1 1 278.352 2.722 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000352221449 220300088 /nfs/dbraw/zinc/30/00/88/220300088.db2.gz MDFGXFAYVNZPLM-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000352221449 220300090 /nfs/dbraw/zinc/30/00/90/220300090.db2.gz MDFGXFAYVNZPLM-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289401056 197329966 /nfs/dbraw/zinc/32/99/66/197329966.db2.gz KZFRDKQYYAPLDW-ZBFHGGJFSA-N 1 1 290.363 2.750 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268069350 384524070 /nfs/dbraw/zinc/52/40/70/384524070.db2.gz CBZSVALXUMBPAM-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268069350 384524076 /nfs/dbraw/zinc/52/40/76/384524076.db2.gz CBZSVALXUMBPAM-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268824144 384671653 /nfs/dbraw/zinc/67/16/53/384671653.db2.gz KRDBYMZLGAHVQL-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269664862 384825369 /nfs/dbraw/zinc/82/53/69/384825369.db2.gz RLSHROXPXKUTIN-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269674918 384829403 /nfs/dbraw/zinc/82/94/03/384829403.db2.gz VZGFXAWJLHNWRD-DOMZBBRYSA-N 1 1 278.352 2.750 20 5 CFBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269631626 384811081 /nfs/dbraw/zinc/81/10/81/384811081.db2.gz FXXHNSRHDSEARK-CQSZACIVSA-N 1 1 264.325 2.503 20 5 CFBDMO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270359341 385069518 /nfs/dbraw/zinc/06/95/18/385069518.db2.gz RFXKRUXKEWWDRZ-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270359341 385069526 /nfs/dbraw/zinc/06/95/26/385069526.db2.gz RFXKRUXKEWWDRZ-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000280824116 385168893 /nfs/dbraw/zinc/16/88/93/385168893.db2.gz NUAOSCKIGNHCCO-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000280824116 385168899 /nfs/dbraw/zinc/16/88/99/385168899.db2.gz NUAOSCKIGNHCCO-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000270828869 385239111 /nfs/dbraw/zinc/23/91/11/385239111.db2.gz HGULDRLWVJTGEC-UHFFFAOYSA-N 1 1 296.342 2.718 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCO1 ZINC000282521509 385333255 /nfs/dbraw/zinc/33/32/55/385333255.db2.gz UAADWAHERAZGSG-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282635921 385359250 /nfs/dbraw/zinc/35/92/50/385359250.db2.gz BGFUAACSUDVTBP-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283282546 385454064 /nfs/dbraw/zinc/45/40/64/385454064.db2.gz XIKCJRGVRCMBSV-CYBMUJFWSA-N 1 1 296.342 2.982 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283523239 385473245 /nfs/dbraw/zinc/47/32/45/385473245.db2.gz NFHWJWORDFVXQL-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(C)[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283628839 385482424 /nfs/dbraw/zinc/48/24/24/385482424.db2.gz BFCLVPAIMAYRCU-ZDUSSCGKSA-N 1 1 286.759 2.697 20 5 CFBDMO CC(C)[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283628839 385482427 /nfs/dbraw/zinc/48/24/27/385482427.db2.gz BFCLVPAIMAYRCU-ZDUSSCGKSA-N 1 1 286.759 2.697 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000272516008 385556865 /nfs/dbraw/zinc/55/68/65/385556865.db2.gz KTVYHQJLARRWNL-HIFRSBDPSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272557553 385564368 /nfs/dbraw/zinc/56/43/68/385564368.db2.gz DQWIRDQUKVRJNR-GDBMZVCRSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC000450690550 285184262 /nfs/dbraw/zinc/18/42/62/285184262.db2.gz HAEMEWDYJMJMHN-JTQLQIEISA-N 1 1 297.305 2.783 20 5 CFBDMO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272832779 385628268 /nfs/dbraw/zinc/62/82/68/385628268.db2.gz RGYXBRGNBACJFL-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272843152 385630605 /nfs/dbraw/zinc/63/06/05/385630605.db2.gz UCIZINDVTAELQL-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COc1cc(C[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1F ZINC000274251296 385748594 /nfs/dbraw/zinc/74/85/94/385748594.db2.gz ICASLAKPLZDHML-UHFFFAOYSA-N 1 1 270.304 2.830 20 5 CFBDMO CCCc1[nH+]ccn1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274258666 385750974 /nfs/dbraw/zinc/75/09/74/385750974.db2.gz ZYDVOYXVZDUHRJ-UHFFFAOYSA-N 1 1 293.298 2.940 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275174033 385950998 /nfs/dbraw/zinc/95/09/98/385950998.db2.gz VGGSVIYYTHXGRB-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275174033 385951001 /nfs/dbraw/zinc/95/10/01/385951001.db2.gz VGGSVIYYTHXGRB-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000281703026 195344287 /nfs/dbraw/zinc/34/42/87/195344287.db2.gz NWFFOZBDBYDLOA-BXUZGUMPSA-N 1 1 294.351 2.603 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000264040824 131385026 /nfs/dbraw/zinc/38/50/26/131385026.db2.gz SBUXYWXFPDSBCR-MRXNPFEDSA-N 1 1 286.331 2.760 20 5 CFBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563120 393532418 /nfs/dbraw/zinc/53/24/18/393532418.db2.gz RQYRYOFGMVMANF-NSHDSACASA-N 1 1 283.397 2.620 20 5 CFBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461082 393552729 /nfs/dbraw/zinc/55/27/29/393552729.db2.gz WMWAXYXWRXTFBK-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461082 393552734 /nfs/dbraw/zinc/55/27/34/393552734.db2.gz WMWAXYXWRXTFBK-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H](NCC[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109993 393619018 /nfs/dbraw/zinc/61/90/18/393619018.db2.gz UZCYGHSYXZPENY-CQSZACIVSA-N 1 1 265.357 2.587 20 5 CFBDMO C[C@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146366 393624416 /nfs/dbraw/zinc/62/44/16/393624416.db2.gz ZFMMOBFFZQXRQG-QWHCGFSZSA-N 1 1 290.363 2.768 20 5 CFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226437023 393770475 /nfs/dbraw/zinc/77/04/75/393770475.db2.gz ATOMJUFTZJMDDO-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO C[C@@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415143 393911117 /nfs/dbraw/zinc/91/11/17/393911117.db2.gz QNUWNWKYEXHBIO-QWRGUYRKSA-N 1 1 266.366 2.921 20 5 CFBDMO Cc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000425287966 393875128 /nfs/dbraw/zinc/87/51/28/393875128.db2.gz SNNRTPCNRXWCAV-XHDPSFHLSA-N 1 1 293.342 2.573 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341809273 393858028 /nfs/dbraw/zinc/85/80/28/393858028.db2.gz NVPAPPLVYSYVPY-LBPRGKRZSA-N 1 1 266.341 2.950 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687800 393861558 /nfs/dbraw/zinc/86/15/58/393861558.db2.gz BCLYYILFDFVDPU-SNVBAGLBSA-N 1 1 280.324 2.692 20 5 CFBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000271171816 394017791 /nfs/dbraw/zinc/01/77/91/394017791.db2.gz QIBDHAUHKBTGMP-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C ZINC000430236860 393971318 /nfs/dbraw/zinc/97/13/18/393971318.db2.gz HSYVHGVHJDIPAT-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000349972920 393974689 /nfs/dbraw/zinc/97/46/89/393974689.db2.gz UQRXIEPAHWTLLD-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000349978054 393975624 /nfs/dbraw/zinc/97/56/24/393975624.db2.gz SEJBGSJVMFJGRF-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000349978054 393975625 /nfs/dbraw/zinc/97/56/25/393975625.db2.gz SEJBGSJVMFJGRF-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO CC1=C[C@@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430269117 393976281 /nfs/dbraw/zinc/97/62/81/393976281.db2.gz MSRCKFRYQGROTO-SNVBAGLBSA-N 1 1 286.335 2.869 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430269117 393976284 /nfs/dbraw/zinc/97/62/84/393976284.db2.gz MSRCKFRYQGROTO-SNVBAGLBSA-N 1 1 286.335 2.869 20 5 CFBDMO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487047432 393980763 /nfs/dbraw/zinc/98/07/63/393980763.db2.gz OJYQIINWNUIVSW-OAHLLOKOSA-N 1 1 277.368 2.680 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434370 394068177 /nfs/dbraw/zinc/06/81/77/394068177.db2.gz CGVPSGHFANVAOD-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488405911 394036852 /nfs/dbraw/zinc/03/68/52/394036852.db2.gz JVSAIXQFGDUPHK-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488405911 394036856 /nfs/dbraw/zinc/03/68/56/394036856.db2.gz JVSAIXQFGDUPHK-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133449485 394177090 /nfs/dbraw/zinc/17/70/90/394177090.db2.gz GMZRIGUYJJNEDJ-CJNGLKHVSA-N 1 1 289.379 2.824 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439300679 394111305 /nfs/dbraw/zinc/11/13/05/394111305.db2.gz YTAQVPSTIGCTPI-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCCO1 ZINC000439471963 394117824 /nfs/dbraw/zinc/11/78/24/394117824.db2.gz RUJBYKYBMZRMLM-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444690544 394145507 /nfs/dbraw/zinc/14/55/07/394145507.db2.gz UCIGSZKSLCCAHY-WDEREUQCSA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444690544 394145511 /nfs/dbraw/zinc/14/55/11/394145511.db2.gz UCIGSZKSLCCAHY-WDEREUQCSA-N 1 1 288.351 2.949 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493129506 394157682 /nfs/dbraw/zinc/15/76/82/394157682.db2.gz FULLIRAWKVSUKA-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000135263025 394215129 /nfs/dbraw/zinc/21/51/29/394215129.db2.gz SEWCWNBHYIVYFZ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135308769 394217526 /nfs/dbraw/zinc/21/75/26/394217526.db2.gz FLOOUYSOVUEDRR-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CCC[N@H+](CC)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176290 394242275 /nfs/dbraw/zinc/24/22/75/394242275.db2.gz MDSAIPDOYAJFJU-AWEZNQCLSA-N 1 1 293.411 2.847 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176290 394242278 /nfs/dbraw/zinc/24/22/78/394242278.db2.gz MDSAIPDOYAJFJU-AWEZNQCLSA-N 1 1 293.411 2.847 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153210503 394280023 /nfs/dbraw/zinc/28/00/23/394280023.db2.gz IHVGIUKBDRZISZ-PHIMTYICSA-N 1 1 264.300 2.966 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645405 394288105 /nfs/dbraw/zinc/28/81/05/394288105.db2.gz BUXLZOJUBPSBJL-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158175047 394354901 /nfs/dbraw/zinc/35/49/01/394354901.db2.gz DKERQGRKQQGHCD-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000158175047 394354909 /nfs/dbraw/zinc/35/49/09/394354909.db2.gz DKERQGRKQQGHCD-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO CCn1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000536669140 394568031 /nfs/dbraw/zinc/56/80/31/394568031.db2.gz UQCRNEGKIAJGTC-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO CCn1cc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000536669140 394568035 /nfs/dbraw/zinc/56/80/35/394568035.db2.gz UQCRNEGKIAJGTC-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573373 395064654 /nfs/dbraw/zinc/06/46/54/395064654.db2.gz JZDFHNVHVRWEAJ-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421009353 397571000 /nfs/dbraw/zinc/57/10/00/397571000.db2.gz PXWNIISELYPOFX-DOMZBBRYSA-N 1 1 277.368 2.682 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691517 397577607 /nfs/dbraw/zinc/57/76/07/397577607.db2.gz DIZNJMCFICNVKY-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cncc2C1 ZINC000356279090 155207451 /nfs/dbraw/zinc/20/74/51/155207451.db2.gz IRDSMTLEVRSUTD-QPEQYQDCSA-N 1 1 298.346 2.710 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cncc2C1 ZINC000356279090 155207454 /nfs/dbraw/zinc/20/74/54/155207454.db2.gz IRDSMTLEVRSUTD-QPEQYQDCSA-N 1 1 298.346 2.710 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451626205 292295472 /nfs/dbraw/zinc/29/54/72/292295472.db2.gz RUSWBARDTOTOEF-DVOMOZLQSA-N 1 1 289.379 2.600 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451626205 292295473 /nfs/dbraw/zinc/29/54/73/292295473.db2.gz RUSWBARDTOTOEF-DVOMOZLQSA-N 1 1 289.379 2.600 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451626205 292295474 /nfs/dbraw/zinc/29/54/74/292295474.db2.gz RUSWBARDTOTOEF-DVOMOZLQSA-N 1 1 289.379 2.600 20 5 CFBDMO Cc1cc[nH+]c(N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000343220096 154145973 /nfs/dbraw/zinc/14/59/73/154145973.db2.gz GZJIMIIKVWCWHX-UHFFFAOYSA-N 1 1 271.320 2.977 20 5 CFBDMO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]cnc2[nH]ccc21 ZINC000343252530 154156580 /nfs/dbraw/zinc/15/65/80/154156580.db2.gz RSCBMVFOVDDPKX-UHFFFAOYSA-N 1 1 297.318 2.545 20 5 CFBDMO CCCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620514 154630932 /nfs/dbraw/zinc/63/09/32/154630932.db2.gz FDGNCFWYUNJPOU-UHFFFAOYSA-N 1 1 264.325 2.979 20 5 CFBDMO CCCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620514 154630939 /nfs/dbraw/zinc/63/09/39/154630939.db2.gz FDGNCFWYUNJPOU-UHFFFAOYSA-N 1 1 264.325 2.979 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)[C@@H]1CCOC1 ZINC000361238963 156069136 /nfs/dbraw/zinc/06/91/36/156069136.db2.gz WLFDDXJYCOMJLO-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)[C@@H]1CCOC1 ZINC000361238963 156069141 /nfs/dbraw/zinc/06/91/41/156069141.db2.gz WLFDDXJYCOMJLO-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1F ZINC000367292916 156309975 /nfs/dbraw/zinc/30/99/75/156309975.db2.gz WPMGUUAYDKDFAF-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000367452862 156333774 /nfs/dbraw/zinc/33/37/74/156333774.db2.gz WSPPDJCTRMZDPP-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1F ZINC000374795722 157159025 /nfs/dbraw/zinc/15/90/25/157159025.db2.gz SIOGFSXJJOQCBM-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000375302590 157220814 /nfs/dbraw/zinc/22/08/14/157220814.db2.gz LYNMXBDNVIAOCI-OAHLLOKOSA-N 1 1 276.336 2.658 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000343863034 161880089 /nfs/dbraw/zinc/88/00/89/161880089.db2.gz ZLGACLBBPSVIAW-UHFFFAOYSA-N 1 1 299.346 2.886 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000345099671 162177697 /nfs/dbraw/zinc/17/76/97/162177697.db2.gz QCUJXIQHBDCXHE-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000346166007 162337262 /nfs/dbraw/zinc/33/72/62/162337262.db2.gz ARKYBXPSDICJLX-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180487 162343439 /nfs/dbraw/zinc/34/34/39/162343439.db2.gz BYWNFCJJUOFUES-KGLIPLIRSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180487 162343443 /nfs/dbraw/zinc/34/34/43/162343443.db2.gz BYWNFCJJUOFUES-KGLIPLIRSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180487 162343446 /nfs/dbraw/zinc/34/34/46/162343446.db2.gz BYWNFCJJUOFUES-KGLIPLIRSA-N 1 1 291.395 2.552 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346199426 162349923 /nfs/dbraw/zinc/34/99/23/162349923.db2.gz VRFKTNVCAKDOSS-OLZOCXBDSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(F)cn1 ZINC000350075883 163056253 /nfs/dbraw/zinc/05/62/53/163056253.db2.gz MOTFVWPSMSQAPA-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCC1 ZINC000353483506 163374737 /nfs/dbraw/zinc/37/47/37/163374737.db2.gz HSHIKTLBCXWVJY-NSHDSACASA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000007384254 170281655 /nfs/dbraw/zinc/28/16/55/170281655.db2.gz MSRUMTVZHYJLEN-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000007384254 170281657 /nfs/dbraw/zinc/28/16/57/170281657.db2.gz MSRUMTVZHYJLEN-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000007389341 170282357 /nfs/dbraw/zinc/28/23/57/170282357.db2.gz VKUIAGZXQILKBU-LBPRGKRZSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)C[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201772 171066475 /nfs/dbraw/zinc/06/64/75/171066475.db2.gz KFVAPKHCQWUULB-OAHLLOKOSA-N 1 1 279.384 2.661 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284947504 196162525 /nfs/dbraw/zinc/16/25/25/196162525.db2.gz WVIACYRIIIOCMA-CABCVRRESA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1cncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285436758 196283485 /nfs/dbraw/zinc/28/34/85/196283485.db2.gz XEQCGXSDUXLUNT-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000285534807 196318732 /nfs/dbraw/zinc/31/87/32/196318732.db2.gz QDBPCAQNGNKRHP-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000037371696 173160991 /nfs/dbraw/zinc/16/09/91/173160991.db2.gz NJNABNQZIPKWGE-CYBMUJFWSA-N 1 1 263.341 2.799 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000044411795 175171930 /nfs/dbraw/zinc/17/19/30/175171930.db2.gz CQWSLVPIZQTNMA-SECBINFHSA-N 1 1 281.743 2.897 20 5 CFBDMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534272 175198060 /nfs/dbraw/zinc/19/80/60/175198060.db2.gz XDECNNIGFMSAIK-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534272 175198065 /nfs/dbraw/zinc/19/80/65/175198065.db2.gz XDECNNIGFMSAIK-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000044572613 175209676 /nfs/dbraw/zinc/20/96/76/175209676.db2.gz FRTJBOKFLIQJTG-CYBMUJFWSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000044986065 175284671 /nfs/dbraw/zinc/28/46/71/175284671.db2.gz MIMXUTJATUNABR-SNVBAGLBSA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1ncsc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000071212974 176084902 /nfs/dbraw/zinc/08/49/02/176084902.db2.gz FSXKFADPBQAOJH-UHFFFAOYSA-N 1 1 269.351 2.711 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854535 260213226 /nfs/dbraw/zinc/21/32/26/260213226.db2.gz WOLSHGUHNSPVCQ-QWRGUYRKSA-N 1 1 281.331 2.937 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000192633078 270232869 /nfs/dbraw/zinc/23/28/69/270232869.db2.gz DJUKOSLFWFLEOZ-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250087362 270271872 /nfs/dbraw/zinc/27/18/72/270271872.db2.gz PWASIDQBVQXSQS-BLLLJJGKSA-N 1 1 292.379 2.921 20 5 CFBDMO C[N@@H+]1CC=C(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000392793135 270306485 /nfs/dbraw/zinc/30/64/85/270306485.db2.gz GNXJEDNLMOCULM-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260851 270327587 /nfs/dbraw/zinc/32/75/87/270327587.db2.gz SXMAAULWNFSMKH-SKDRFNHKSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260851 270327590 /nfs/dbraw/zinc/32/75/90/270327590.db2.gz SXMAAULWNFSMKH-SKDRFNHKSA-N 1 1 284.743 2.593 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514953426 270359127 /nfs/dbraw/zinc/35/91/27/270359127.db2.gz WJIYCUJSPUDZLY-IUODEOHRSA-N 1 1 291.395 2.902 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000532577129 270863306 /nfs/dbraw/zinc/86/33/06/270863306.db2.gz CXZIUTSLALPHQD-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO COC[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179367016 274041708 /nfs/dbraw/zinc/04/17/08/274041708.db2.gz ZZZVZQPQYYSZRY-WAFBPQNNSA-N 1 1 264.325 2.575 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccccc1[N+](=O)[O-])C2 ZINC000301134558 274823842 /nfs/dbraw/zinc/82/38/42/274823842.db2.gz XUHXLOAIPCUQMD-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+]([C@@H]3CCOC3)C2)cc1 ZINC000331534845 275037293 /nfs/dbraw/zinc/03/72/93/275037293.db2.gz XPVRBIMKIIDJMW-DZGCQCFKSA-N 1 1 276.336 2.563 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000283470220 276002117 /nfs/dbraw/zinc/00/21/17/276002117.db2.gz IMVJPMWKYXGOOL-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165701 277210938 /nfs/dbraw/zinc/21/09/38/277210938.db2.gz PGKLYIUQQVTSNA-HNNXBMFYSA-N 1 1 298.346 2.776 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000370070548 278035674 /nfs/dbraw/zinc/03/56/74/278035674.db2.gz BJYZASJSGJLWIV-UHFFFAOYSA-N 1 1 278.352 2.941 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000370070548 278035676 /nfs/dbraw/zinc/03/56/76/278035676.db2.gz BJYZASJSGJLWIV-UHFFFAOYSA-N 1 1 278.352 2.941 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC1 ZINC000274477138 278312808 /nfs/dbraw/zinc/31/28/08/278312808.db2.gz LLWRWRWXVUNQMT-GFCCVEGCSA-N 1 1 277.368 2.682 20 5 CFBDMO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648974 278351448 /nfs/dbraw/zinc/35/14/48/278351448.db2.gz WGFMZHYTQZWONB-OLZOCXBDSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648974 278351451 /nfs/dbraw/zinc/35/14/51/278351451.db2.gz WGFMZHYTQZWONB-OLZOCXBDSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000222455620 278364741 /nfs/dbraw/zinc/36/47/41/278364741.db2.gz OKXHZSNRIBERSF-ZJUUUORDSA-N 1 1 260.297 2.730 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362087951 281022799 /nfs/dbraw/zinc/02/27/99/281022799.db2.gz CUIVMXHOIBGEGM-FRRDWIJNSA-N 1 1 278.352 2.524 20 5 CFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000336830367 281163847 /nfs/dbraw/zinc/16/38/47/281163847.db2.gz BRAZRVWUIWOQNX-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000526989511 281322436 /nfs/dbraw/zinc/32/24/36/281322436.db2.gz MJDKUNWMZSNEQS-QWRGUYRKSA-N 1 1 264.325 2.976 20 5 CFBDMO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000545293373 281684721 /nfs/dbraw/zinc/68/47/21/281684721.db2.gz UTPSJKDEBRIUDW-NSHDSACASA-N 1 1 288.351 2.914 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000404355614 290028810 /nfs/dbraw/zinc/02/88/10/290028810.db2.gz NATYAXPSWHSYBQ-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO CS[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000562723334 290071431 /nfs/dbraw/zinc/07/14/31/290071431.db2.gz XZNSHDHTRJLOCT-JTQLQIEISA-N 1 1 293.348 2.673 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000562723334 290071433 /nfs/dbraw/zinc/07/14/33/290071433.db2.gz XZNSHDHTRJLOCT-JTQLQIEISA-N 1 1 293.348 2.673 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361420312 295027963 /nfs/dbraw/zinc/02/79/63/295027963.db2.gz NBMZBFMRSDIEIP-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000166261386 322386021 /nfs/dbraw/zinc/38/60/21/322386021.db2.gz ZQFFMRFGHYXOFA-WBMJQRKESA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1cc(-c2noc(C[N@@H+](C)C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000351146356 324327480 /nfs/dbraw/zinc/32/74/80/324327480.db2.gz MIYMJNMCOKFJKT-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO Cc1cc(-c2noc(C[N@H+](C)C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000351146356 324327484 /nfs/dbraw/zinc/32/74/84/324327484.db2.gz MIYMJNMCOKFJKT-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO COc1cc(C[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000426565215 533792096 /nfs/dbraw/zinc/79/20/96/533792096.db2.gz MJJRZKWTQPQHFY-CQSZACIVSA-N 1 1 294.351 2.842 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000426565215 533792103 /nfs/dbraw/zinc/79/21/03/533792103.db2.gz MJJRZKWTQPQHFY-CQSZACIVSA-N 1 1 294.351 2.842 20 5 CFBDMO C[C@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000097928853 533833172 /nfs/dbraw/zinc/83/31/72/533833172.db2.gz SCKRMYVQQAZOED-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361239648 520292992 /nfs/dbraw/zinc/29/29/92/520292992.db2.gz WSDQYZKQGFCVFH-HZRUHFOJSA-N 1 1 276.336 2.719 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522446 520411393 /nfs/dbraw/zinc/41/13/93/520411393.db2.gz YWWJWSQRQFHERH-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCCN(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522446 520411397 /nfs/dbraw/zinc/41/13/97/520411397.db2.gz YWWJWSQRQFHERH-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000311749723 520634799 /nfs/dbraw/zinc/63/47/99/520634799.db2.gz URRAKYHYFIDNBC-LBPRGKRZSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000311749723 520634811 /nfs/dbraw/zinc/63/48/11/520634811.db2.gz URRAKYHYFIDNBC-LBPRGKRZSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000055904469 522781815 /nfs/dbraw/zinc/78/18/15/522781815.db2.gz GXAKWOXLKQTLBQ-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000062010291 522869353 /nfs/dbraw/zinc/86/93/53/522869353.db2.gz RDRLGAHCOXKMAV-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000305086487 522948063 /nfs/dbraw/zinc/94/80/63/522948063.db2.gz OEFKPGUOJPGPKF-UHFFFAOYSA-N 1 1 292.379 2.620 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313457109 523452786 /nfs/dbraw/zinc/45/27/86/523452786.db2.gz CTUNHXPRQWLKCZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313457109 523452795 /nfs/dbraw/zinc/45/27/95/523452795.db2.gz CTUNHXPRQWLKCZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173495475 524954444 /nfs/dbraw/zinc/95/44/44/524954444.db2.gz OORYEZSVRBWLJY-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703669 525352981 /nfs/dbraw/zinc/35/29/81/525352981.db2.gz BBLFBEZZRZLULC-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703669 525352989 /nfs/dbraw/zinc/35/29/89/525352989.db2.gz BBLFBEZZRZLULC-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365848572 525562607 /nfs/dbraw/zinc/56/26/07/525562607.db2.gz RLPNPAGZHAETLY-OAHLLOKOSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365848571 525567129 /nfs/dbraw/zinc/56/71/29/525567129.db2.gz RLPNPAGZHAETLY-HNNXBMFYSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1c(C[NH2+][C@@H](C)c2cnccn2)cccc1[N+](=O)[O-] ZINC000231883844 525727923 /nfs/dbraw/zinc/72/79/23/525727923.db2.gz BBURICAPFIYDPI-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000162715429 526059999 /nfs/dbraw/zinc/05/99/99/526059999.db2.gz OEHAUBFGCFWZOZ-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cnc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361264227 526089897 /nfs/dbraw/zinc/08/98/97/526089897.db2.gz YEEBXKPZPTWRBS-BETUJISGSA-N 1 1 292.383 2.973 20 5 CFBDMO COc1cccc(NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000360965694 526208792 /nfs/dbraw/zinc/20/87/92/526208792.db2.gz IGPYQLFXNHMEML-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO COc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000134928146 526211290 /nfs/dbraw/zinc/21/12/90/526211290.db2.gz PBMPCXMFOGZRHX-NWDGAFQWSA-N 1 1 291.351 2.642 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414519555 528095328 /nfs/dbraw/zinc/09/53/28/528095328.db2.gz BJPUCCXRJCXNGF-GXTWGEPZSA-N 1 1 292.379 2.921 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265310 528312747 /nfs/dbraw/zinc/31/27/47/528312747.db2.gz QUERPOLDCDTCNP-BBRMVZONSA-N 1 1 291.395 2.935 20 5 CFBDMO CCC[C@@H]([NH2+][C@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283828 529021742 /nfs/dbraw/zinc/02/17/42/529021742.db2.gz WJCLEXUBNHUYJE-HUUCEWRRSA-N 1 1 277.368 2.763 20 5 CFBDMO CCn1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000414479124 529170093 /nfs/dbraw/zinc/17/00/93/529170093.db2.gz HVXYPFGPSNSLRN-FNORWQNLSA-N 1 1 286.335 2.614 20 5 CFBDMO CCn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000753851966 574051960 /nfs/dbraw/zinc/05/19/60/574051960.db2.gz DQSZFUIVGDXWOI-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000727824114 574066462 /nfs/dbraw/zinc/06/64/62/574066462.db2.gz MCMZOAVKLJFEIN-GFCCVEGCSA-N 1 1 274.324 2.776 20 5 CFBDMO CCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899590 574135377 /nfs/dbraw/zinc/13/53/77/574135377.db2.gz IRPTZTSHOLTBCN-UHFFFAOYSA-N 1 1 274.324 2.758 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000747223025 574187958 /nfs/dbraw/zinc/18/79/58/574187958.db2.gz IVAVPISPRYHJIP-NXEZZACHSA-N 1 1 297.330 2.637 20 5 CFBDMO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000749905431 574315362 /nfs/dbraw/zinc/31/53/62/574315362.db2.gz GSZQVNUVBHIPEB-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000749905431 574315364 /nfs/dbraw/zinc/31/53/64/574315364.db2.gz GSZQVNUVBHIPEB-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO CC[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056154 574322544 /nfs/dbraw/zinc/32/25/44/574322544.db2.gz YBEKQHVELCOXRO-GXTWGEPZSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076113 574387656 /nfs/dbraw/zinc/38/76/56/574387656.db2.gz NXAODWOARRKHNV-AOOOYVTPSA-N 1 1 252.289 2.822 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565062 617611352 /nfs/dbraw/zinc/61/13/52/617611352.db2.gz YRVZHIFNDYPEPR-GDBMZVCRSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565062 617611356 /nfs/dbraw/zinc/61/13/56/617611356.db2.gz YRVZHIFNDYPEPR-GDBMZVCRSA-N 1 1 289.379 2.620 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932348539 617678937 /nfs/dbraw/zinc/67/89/37/617678937.db2.gz GNDHEGYWVXCRIR-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820735 617825155 /nfs/dbraw/zinc/82/51/55/617825155.db2.gz WYPWJCUEKXGLSY-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820735 617825162 /nfs/dbraw/zinc/82/51/62/617825162.db2.gz WYPWJCUEKXGLSY-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CCCCOC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051383102 617975385 /nfs/dbraw/zinc/97/53/85/617975385.db2.gz IUAWGJDAHACOMH-UHFFFAOYSA-N 1 1 294.351 2.760 20 5 CFBDMO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000925592919 618279773 /nfs/dbraw/zinc/27/97/73/618279773.db2.gz IAKDWOSQNZVPGC-QWHCGFSZSA-N 1 1 277.368 2.590 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000062351037 618375705 /nfs/dbraw/zinc/37/57/05/618375705.db2.gz GLEISPVGKYBEDS-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CO)cc1Cl ZINC000895149902 618392567 /nfs/dbraw/zinc/39/25/67/618392567.db2.gz CQDKBEIIRIELMZ-LBPRGKRZSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1nn(C[N@@H+](C)CC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000074067989 618406621 /nfs/dbraw/zinc/40/66/21/618406621.db2.gz WZPVQOBCVCEDHI-UHFFFAOYSA-N 1 1 280.372 2.878 20 5 CFBDMO CC(C)CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177399869 618416681 /nfs/dbraw/zinc/41/66/81/618416681.db2.gz BJSOIBMIYBNWME-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177399869 618416687 /nfs/dbraw/zinc/41/66/87/618416687.db2.gz BJSOIBMIYBNWME-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CCCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000074172599 618442672 /nfs/dbraw/zinc/44/26/72/618442672.db2.gz NNMMPKHKTFMNJM-UHFFFAOYSA-N 1 1 262.313 2.634 20 5 CFBDMO CC1=NO[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000895312206 618527589 /nfs/dbraw/zinc/52/75/89/618527589.db2.gz WJPAYVYUSKGXFQ-LLVKDONJSA-N 1 1 283.715 2.503 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177874062 618610504 /nfs/dbraw/zinc/61/05/04/618610504.db2.gz WMZKNBSRYNTKOP-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916925 619083547 /nfs/dbraw/zinc/08/35/47/619083547.db2.gz KUVYGCSLOXLVOM-ZDUSSCGKSA-N 1 1 280.372 2.734 20 5 CFBDMO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925840004 619173713 /nfs/dbraw/zinc/17/37/13/619173713.db2.gz FLAVFGVHLJZENX-APHBMKBZSA-N 1 1 289.379 2.778 20 5 CFBDMO Cc1n[nH]c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000894679716 619441438 /nfs/dbraw/zinc/44/14/38/619441438.db2.gz SZLSCMYTUASFDZ-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895737494 619598122 /nfs/dbraw/zinc/59/81/22/619598122.db2.gz WMXOHBXPFFNSRB-ZYHUDNBSSA-N 1 1 291.351 2.692 20 5 CFBDMO CCc1oc2ccccc2c1C[N@H+](C)CC[N+](=O)[O-] ZINC000929096698 620232381 /nfs/dbraw/zinc/23/23/81/620232381.db2.gz IBHWQCVFWPSSAD-UHFFFAOYSA-N 1 1 262.309 2.704 20 5 CFBDMO CCc1oc2ccccc2c1C[N@@H+](C)CC[N+](=O)[O-] ZINC000929096698 620232382 /nfs/dbraw/zinc/23/23/82/620232382.db2.gz IBHWQCVFWPSSAD-UHFFFAOYSA-N 1 1 262.309 2.704 20 5 CFBDMO CCn1cnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000902302344 621026932 /nfs/dbraw/zinc/02/69/32/621026932.db2.gz SJHUQIQTUBJOOZ-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987553 621499420 /nfs/dbraw/zinc/49/94/20/621499420.db2.gz GUICYSDYIZOIET-RTXFEEFZSA-N 1 1 263.341 2.515 20 5 CFBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000820705922 622740667 /nfs/dbraw/zinc/74/06/67/622740667.db2.gz HUJOKDQHGYVRIW-UHFFFAOYSA-N 1 1 281.287 2.923 20 5 CFBDMO CCC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000171603592 623232679 /nfs/dbraw/zinc/23/26/79/623232679.db2.gz RNJMHCSWCXPEDO-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249949 623271744 /nfs/dbraw/zinc/27/17/44/623271744.db2.gz NKYCNSBEHXHXQT-CABCVRRESA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1nn(C[N@H+](C)CCc2cccs2)c(C)c1[N+](=O)[O-] ZINC000173404792 623347430 /nfs/dbraw/zinc/34/74/30/623347430.db2.gz XMNNTICWLOGOHA-UHFFFAOYSA-N 1 1 294.380 2.602 20 5 CFBDMO Cc1nn(C[N@@H+](C)CCc2cccs2)c(C)c1[N+](=O)[O-] ZINC000173404792 623347436 /nfs/dbraw/zinc/34/74/36/623347436.db2.gz XMNNTICWLOGOHA-UHFFFAOYSA-N 1 1 294.380 2.602 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000827601210 624043210 /nfs/dbraw/zinc/04/32/10/624043210.db2.gz CPYLBLAUUJJNKQ-NEPJUHHUSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccncc2)c1 ZINC000035368205 624074496 /nfs/dbraw/zinc/07/44/96/624074496.db2.gz SHHXXDZWNWOFMF-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000830560534 624779976 /nfs/dbraw/zinc/77/99/76/624779976.db2.gz GPGJOABVQNJVSL-UHFFFAOYSA-N 1 1 267.285 2.733 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921546430 625982071 /nfs/dbraw/zinc/98/20/71/625982071.db2.gz DNWYLMOQJPJJKT-UHFFFAOYSA-N 1 1 286.335 2.806 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)C[NH3+] ZINC000093861252 626328520 /nfs/dbraw/zinc/32/85/20/626328520.db2.gz FHUHEXOWOAAUFO-NSHDSACASA-N 1 1 265.357 2.573 20 5 CFBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923499744 626477495 /nfs/dbraw/zinc/47/74/95/626477495.db2.gz SXNIDBYBPLCHAZ-WDEREUQCSA-N 1 1 297.786 2.665 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000749321202 626540664 /nfs/dbraw/zinc/54/06/64/626540664.db2.gz GZTQXTKCTNASNT-SECBINFHSA-N 1 1 285.294 2.769 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658366 626549770 /nfs/dbraw/zinc/54/97/70/626549770.db2.gz LXVGVHNZXCRIEU-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761043079 626793049 /nfs/dbraw/zinc/79/30/49/626793049.db2.gz SZYLNAMLCULWHQ-SNVBAGLBSA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761043079 626793051 /nfs/dbraw/zinc/79/30/51/626793051.db2.gz SZYLNAMLCULWHQ-SNVBAGLBSA-N 1 1 274.242 2.979 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904465 627978119 /nfs/dbraw/zinc/97/81/19/627978119.db2.gz SWWCZEYQPKQGPN-ZJUUUORDSA-N 1 1 279.296 2.733 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774914825 627979148 /nfs/dbraw/zinc/97/91/48/627979148.db2.gz RTKGTERKOIGGPE-LLVKDONJSA-N 1 1 293.323 2.981 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000776581903 628160722 /nfs/dbraw/zinc/16/07/22/628160722.db2.gz OMYRTFKQOSOZPC-LSDHHAIUSA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776596433 628164138 /nfs/dbraw/zinc/16/41/38/628164138.db2.gz DGXVBCNAZZDDOH-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599230 628164234 /nfs/dbraw/zinc/16/42/34/628164234.db2.gz XODGVYFLMKFKGC-NJZAAPMLSA-N 1 1 278.352 2.891 20 5 CFBDMO C[N@@H+](CC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954068 628266995 /nfs/dbraw/zinc/26/69/95/628266995.db2.gz QCTAVYNNMJFZCQ-UHFFFAOYSA-N 1 1 286.335 2.758 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588609 628562512 /nfs/dbraw/zinc/56/25/12/628562512.db2.gz XIUYLZIFMLJSAQ-ABAIWWIYSA-N 1 1 292.383 2.878 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]n1 ZINC000783636308 628729337 /nfs/dbraw/zinc/72/93/37/628729337.db2.gz NGTBYUYXXTZDIJ-UHFFFAOYSA-N 1 1 280.715 2.570 20 5 CFBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000785727706 628907781 /nfs/dbraw/zinc/90/77/81/628907781.db2.gz GDKGNERDUCPCLC-UWVGGRQHSA-N 1 1 298.364 2.572 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000791052324 629283823 /nfs/dbraw/zinc/28/38/23/629283823.db2.gz MCIXOFIDELXYHK-HIFRSBDPSA-N 1 1 262.353 2.779 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000793807556 629596437 /nfs/dbraw/zinc/59/64/37/629596437.db2.gz BBFKUTZNTCNNKB-LLVKDONJSA-N 1 1 274.324 2.695 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000793807556 629596444 /nfs/dbraw/zinc/59/64/44/629596444.db2.gz BBFKUTZNTCNNKB-LLVKDONJSA-N 1 1 274.324 2.695 20 5 CFBDMO COCC[N@H+](CCF)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852480711 634756586 /nfs/dbraw/zinc/75/65/86/634756586.db2.gz AOQWJMLSIIJPGP-GFCCVEGCSA-N 1 1 284.331 2.882 20 5 CFBDMO COCC[N@@H+](CCF)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852480711 634756589 /nfs/dbraw/zinc/75/65/89/634756589.db2.gz AOQWJMLSIIJPGP-GFCCVEGCSA-N 1 1 284.331 2.882 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000796314569 629902331 /nfs/dbraw/zinc/90/23/31/629902331.db2.gz AGLMAAUVDIDYGC-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@]12COC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534546 634773264 /nfs/dbraw/zinc/77/32/64/634773264.db2.gz MMLMWVONCUPTAW-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534546 634773270 /nfs/dbraw/zinc/77/32/70/634773270.db2.gz MMLMWVONCUPTAW-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852558460 634779585 /nfs/dbraw/zinc/77/95/85/634779585.db2.gz ALZDVTSAXAHJON-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852558460 634779592 /nfs/dbraw/zinc/77/95/92/634779592.db2.gz ALZDVTSAXAHJON-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526738 630077337 /nfs/dbraw/zinc/07/73/37/630077337.db2.gz XORMSXMDTWEAEZ-IAQYHMDHSA-N 1 1 276.336 2.526 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526736 630077572 /nfs/dbraw/zinc/07/75/72/630077572.db2.gz XORMSXMDTWEAEZ-ABAIWWIYSA-N 1 1 276.336 2.526 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852633949 634793949 /nfs/dbraw/zinc/79/39/49/634793949.db2.gz DPBUTWLXEKKWMW-UWVGGRQHSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852633949 634793952 /nfs/dbraw/zinc/79/39/52/634793952.db2.gz DPBUTWLXEKKWMW-UWVGGRQHSA-N 1 1 250.273 2.576 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546369 630456817 /nfs/dbraw/zinc/45/68/17/630456817.db2.gz KSOWMPDWERWFJZ-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO CCCC[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804450854 630682477 /nfs/dbraw/zinc/68/24/77/630682477.db2.gz PIVVNTZSYIKUBW-UHFFFAOYSA-N 1 1 296.327 2.647 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000807983548 630930262 /nfs/dbraw/zinc/93/02/62/630930262.db2.gz PPANHDYAMOABJQ-JQWIXIFHSA-N 1 1 291.351 2.692 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC=CO1 ZINC000809689303 631264343 /nfs/dbraw/zinc/26/43/43/631264343.db2.gz XHQNNSFAFRNNRW-CQSZACIVSA-N 1 1 276.336 2.762 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000809692781 631265567 /nfs/dbraw/zinc/26/55/67/631265567.db2.gz GUZZHXHQEFJAAM-NSHDSACASA-N 1 1 284.743 2.859 20 5 CFBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841057102 631323443 /nfs/dbraw/zinc/32/34/43/631323443.db2.gz HYMMIUABERACRS-WDEREUQCSA-N 1 1 283.759 2.608 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000842166208 631557979 /nfs/dbraw/zinc/55/79/79/631557979.db2.gz JNJXHMQHWZHAPP-FJJYHAOUSA-N 1 1 278.352 2.605 20 5 CFBDMO COCCCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842173366 631561007 /nfs/dbraw/zinc/56/10/07/631561007.db2.gz OMFWGEFWCRGXQZ-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811803263 631624141 /nfs/dbraw/zinc/62/41/41/631624141.db2.gz KBTDUOQKWNHFAE-NSHDSACASA-N 1 1 293.367 2.940 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000811848629 631632403 /nfs/dbraw/zinc/63/24/03/631632403.db2.gz MQVQOGBPUMCKIU-JTQLQIEISA-N 1 1 299.346 2.883 20 5 CFBDMO Cc1nn(C[N@H+](C)CCC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000842630929 631686951 /nfs/dbraw/zinc/68/69/51/631686951.db2.gz IJDFAHJPSSQPPH-UHFFFAOYSA-N 1 1 268.361 2.734 20 5 CFBDMO Cc1nn(C[N@@H+](C)CCC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000842630929 631686954 /nfs/dbraw/zinc/68/69/54/631686954.db2.gz IJDFAHJPSSQPPH-UHFFFAOYSA-N 1 1 268.361 2.734 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000812460748 631721631 /nfs/dbraw/zinc/72/16/31/631721631.db2.gz ZFEVIRPLMINNRP-NSHDSACASA-N 1 1 281.331 2.939 20 5 CFBDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]C3CC3)n2)cc1[N+](=O)[O-] ZINC000843178854 631882258 /nfs/dbraw/zinc/88/22/58/631882258.db2.gz NNUSGULQWJAMNW-SECBINFHSA-N 1 1 288.307 2.766 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[NH2+]C2CC2)n1 ZINC000843186863 631888919 /nfs/dbraw/zinc/88/89/19/631888919.db2.gz GFEFHHBVNIXPDZ-SECBINFHSA-N 1 1 288.307 2.766 20 5 CFBDMO Cc1cc(-c2noc([C@H]([NH3+])CC(F)F)n2)cc([N+](=O)[O-])c1 ZINC000843240441 631911249 /nfs/dbraw/zinc/91/12/49/631911249.db2.gz WQWHKZXPPSHZRO-SECBINFHSA-N 1 1 298.249 2.608 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1F ZINC000817296379 632598136 /nfs/dbraw/zinc/59/81/36/632598136.db2.gz HKBRHLYSKSWBBV-GFCCVEGCSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412869 632624682 /nfs/dbraw/zinc/62/46/82/632624682.db2.gz PWRVJLLBINFVEL-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CO ZINC000857061699 635922115 /nfs/dbraw/zinc/92/21/15/635922115.db2.gz ULDCGQBJAZKDQO-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000849325795 633618064 /nfs/dbraw/zinc/61/80/64/633618064.db2.gz SVOKMFPFYDIAEJ-AEGPPILISA-N 1 1 276.336 2.503 20 5 CFBDMO CC12CC(C1)C[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852786250 634835630 /nfs/dbraw/zinc/83/56/30/634835630.db2.gz UWFVGNWLHSBVGS-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO CC12CC(C1)C[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852786250 634835635 /nfs/dbraw/zinc/83/56/35/634835635.db2.gz UWFVGNWLHSBVGS-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577585 635040558 /nfs/dbraw/zinc/04/05/58/635040558.db2.gz UGDDDDRTTPHBNP-VXGBXAGGSA-N 1 1 286.335 2.552 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000853605983 635048707 /nfs/dbraw/zinc/04/87/07/635048707.db2.gz OUVDFJAINXSASO-ZDUSSCGKSA-N 1 1 278.356 2.794 20 5 CFBDMO Cc1cc(CO)cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000853649949 635060318 /nfs/dbraw/zinc/06/03/18/635060318.db2.gz IAAJZXVUEJBNCN-NSHDSACASA-N 1 1 287.319 2.964 20 5 CFBDMO CCC[N@H+]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000853906016 635156845 /nfs/dbraw/zinc/15/68/45/635156845.db2.gz JDSNABAJZBAEQK-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO Cc1c(C[N@@H+]2CCCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000854055145 635200827 /nfs/dbraw/zinc/20/08/27/635200827.db2.gz LBOYZXXELZXCML-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO Cc1c(C[N@H+]2CCCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000854055145 635200834 /nfs/dbraw/zinc/20/08/34/635200834.db2.gz LBOYZXXELZXCML-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000114445180 635835005 /nfs/dbraw/zinc/83/50/05/635835005.db2.gz PVRNDNLUPBQBDD-AWEZNQCLSA-N 1 1 276.340 2.571 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000114445180 635835008 /nfs/dbraw/zinc/83/50/08/635835008.db2.gz PVRNDNLUPBQBDD-AWEZNQCLSA-N 1 1 276.340 2.571 20 5 CFBDMO Cc1nn(C[N@@H+](CCC(C)C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000075582110 650337692 /nfs/dbraw/zinc/33/76/92/650337692.db2.gz YRXLETKGWUWRMH-UHFFFAOYSA-N 1 1 280.372 2.876 20 5 CFBDMO Cc1nn(C[N@H+](CCC(C)C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000075582110 650337695 /nfs/dbraw/zinc/33/76/95/650337695.db2.gz YRXLETKGWUWRMH-UHFFFAOYSA-N 1 1 280.372 2.876 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000119445697 637656857 /nfs/dbraw/zinc/65/68/57/637656857.db2.gz LINWCWWFVBVUJC-LLVKDONJSA-N 1 1 274.324 2.634 20 5 CFBDMO CC[NH2+][C@@H](C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000863663924 637735672 /nfs/dbraw/zinc/73/56/72/637735672.db2.gz NCRHJFYUOIPMNO-JTQLQIEISA-N 1 1 290.323 2.548 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000120734986 638570484 /nfs/dbraw/zinc/57/04/84/638570484.db2.gz NTPRVDLNTXPXPP-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000120734986 638570494 /nfs/dbraw/zinc/57/04/94/638570494.db2.gz NTPRVDLNTXPXPP-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031066 641562166 /nfs/dbraw/zinc/56/21/66/641562166.db2.gz LUCNHYDHUKUKND-NSHDSACASA-N 1 1 283.347 2.725 20 5 CFBDMO C[C@H]([NH2+]CCOCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035336 641567242 /nfs/dbraw/zinc/56/72/42/641567242.db2.gz LZMRPNJBBRXRFC-JTQLQIEISA-N 1 1 282.315 2.811 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069730 641601032 /nfs/dbraw/zinc/60/10/32/641601032.db2.gz UBOKHLFYFNTZEX-GFCCVEGCSA-N 1 1 293.342 2.646 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069730 641601034 /nfs/dbraw/zinc/60/10/34/641601034.db2.gz UBOKHLFYFNTZEX-GFCCVEGCSA-N 1 1 293.342 2.646 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC000872071325 641602680 /nfs/dbraw/zinc/60/26/80/641602680.db2.gz NOLFYXQCIIUILQ-QWRGUYRKSA-N 1 1 297.424 2.917 20 5 CFBDMO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872087824 641621190 /nfs/dbraw/zinc/62/11/90/641621190.db2.gz IGVMUGZPUPJCLG-DYLAAIIWSA-N 1 1 268.288 2.562 20 5 CFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780699 641934806 /nfs/dbraw/zinc/93/48/06/641934806.db2.gz MTYCVWKWAVLUJW-NEPJUHHUSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876512290 642899954 /nfs/dbraw/zinc/89/99/54/642899954.db2.gz KSSICLUFCKGLHE-TXEJJXNPSA-N 1 1 278.352 2.821 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876512290 642899970 /nfs/dbraw/zinc/89/99/70/642899970.db2.gz KSSICLUFCKGLHE-TXEJJXNPSA-N 1 1 278.352 2.821 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1=CCCOC1 ZINC000877628080 643412922 /nfs/dbraw/zinc/41/29/22/643412922.db2.gz CAONYDXAJFCFQG-UHFFFAOYSA-N 1 1 290.363 2.990 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877691922 643457395 /nfs/dbraw/zinc/45/73/95/643457395.db2.gz XNZSWPQXRVRRRZ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000877736876 643496661 /nfs/dbraw/zinc/49/66/61/643496661.db2.gz BKXPSTVIUOWOCS-STQMWFEESA-N 1 1 278.377 2.780 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877737721 643498738 /nfs/dbraw/zinc/49/87/38/643498738.db2.gz HWOJISQIJJHMFJ-QWHCGFSZSA-N 1 1 278.377 2.780 20 5 CFBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836023 643603030 /nfs/dbraw/zinc/60/30/30/643603030.db2.gz LEMOXPSOXVNXBT-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877837136 643605447 /nfs/dbraw/zinc/60/54/47/643605447.db2.gz SHWULGWBVPTRFP-ZDUSSCGKSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1[N+](=O)[O-] ZINC000878698106 643995522 /nfs/dbraw/zinc/99/55/22/643995522.db2.gz AWRCNORNTXRFNL-HNNXBMFYSA-N 1 1 290.363 2.783 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000878916478 644073391 /nfs/dbraw/zinc/07/33/91/644073391.db2.gz MASFTXXLWUADII-ZFWWWQNUSA-N 1 1 292.379 2.886 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318287 644222385 /nfs/dbraw/zinc/22/23/85/644222385.db2.gz SKGWNGFQCKAUQH-WCQYABFASA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319668 644224440 /nfs/dbraw/zinc/22/44/40/644224440.db2.gz DEAQJNRLSYFWQF-IUODEOHRSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319670 644224977 /nfs/dbraw/zinc/22/49/77/644224977.db2.gz DEAQJNRLSYFWQF-SWLSCSKDSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319531 644225103 /nfs/dbraw/zinc/22/51/03/644225103.db2.gz WVKOSPILLGKECX-BXUZGUMPSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320825 644226733 /nfs/dbraw/zinc/22/67/33/644226733.db2.gz MCSNIXPUCGQUNK-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619658 644350821 /nfs/dbraw/zinc/35/08/21/644350821.db2.gz YYDCCYIHSUMWDW-RYUDHWBXSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000880132059 644543497 /nfs/dbraw/zinc/54/34/97/644543497.db2.gz MZRYENAEDFGYHO-CVEARBPZSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132059 644543501 /nfs/dbraw/zinc/54/35/01/644543501.db2.gz MZRYENAEDFGYHO-CVEARBPZSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132059 644543506 /nfs/dbraw/zinc/54/35/06/644543506.db2.gz MZRYENAEDFGYHO-CVEARBPZSA-N 1 1 289.379 2.572 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880139588 644548801 /nfs/dbraw/zinc/54/88/01/644548801.db2.gz ALMMKRWXJBNEGV-AAEUAGOBSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])cc1F ZINC000880299201 644640136 /nfs/dbraw/zinc/64/01/36/644640136.db2.gz PYFVDJITLAMLBY-SECBINFHSA-N 1 1 286.278 2.534 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])cc1F ZINC000880299201 644640138 /nfs/dbraw/zinc/64/01/38/644640138.db2.gz PYFVDJITLAMLBY-SECBINFHSA-N 1 1 286.278 2.534 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)n1 ZINC000880539232 644757340 /nfs/dbraw/zinc/75/73/40/644757340.db2.gz UAPGJQYDSMAINR-WFASDCNBSA-N 1 1 298.346 2.726 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882014211 645176511 /nfs/dbraw/zinc/17/65/11/645176511.db2.gz GQYOFFWECVGLNS-UHFFFAOYSA-N 1 1 293.302 2.526 20 5 CFBDMO CC(=O)c1c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016735 645177308 /nfs/dbraw/zinc/17/73/08/645177308.db2.gz AMYSMECTDMMHMV-JQWIXIFHSA-N 1 1 291.351 2.692 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000882961056 645531366 /nfs/dbraw/zinc/53/13/66/645531366.db2.gz DCAPTQRXTFJBNQ-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118179 651050137 /nfs/dbraw/zinc/05/01/37/651050137.db2.gz GEGLIJJYHRMNRX-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118179 651050140 /nfs/dbraw/zinc/05/01/40/651050140.db2.gz GEGLIJJYHRMNRX-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000885951608 646778526 /nfs/dbraw/zinc/77/85/26/646778526.db2.gz LOHBEPDSAJAWJH-JTQLQIEISA-N 1 1 251.330 2.856 20 5 CFBDMO COc1ccc(C[NH2+]Cc2cc(C)co2)cc1[N+](=O)[O-] ZINC000885951908 646780649 /nfs/dbraw/zinc/78/06/49/646780649.db2.gz RBSLKFCTKFQKLW-UHFFFAOYSA-N 1 1 276.292 2.795 20 5 CFBDMO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1c(C)noc1C ZINC000886127097 646884975 /nfs/dbraw/zinc/88/49/75/646884975.db2.gz BIJVGYOMGRWKBQ-LBPRGKRZSA-N 1 1 290.323 2.836 20 5 CFBDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134474 646888371 /nfs/dbraw/zinc/88/83/71/646888371.db2.gz SSRWLCSNCGWALN-IUODEOHRSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134474 646888376 /nfs/dbraw/zinc/88/83/76/646888376.db2.gz SSRWLCSNCGWALN-IUODEOHRSA-N 1 1 298.346 2.968 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818616 647151182 /nfs/dbraw/zinc/15/11/82/647151182.db2.gz HLKFLFXGNRDCAA-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886830738 647155441 /nfs/dbraw/zinc/15/54/41/647155441.db2.gz WSUFURWINQSCBF-SWLSCSKDSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925575918 648224626 /nfs/dbraw/zinc/22/46/26/648224626.db2.gz JANGULHTTMMWEG-NILFDRSVSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925575916 648224787 /nfs/dbraw/zinc/22/47/87/648224787.db2.gz JANGULHTTMMWEG-CQDKDKBSSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc(C[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929425416 649047874 /nfs/dbraw/zinc/04/78/74/649047874.db2.gz SXZHVWGYUIZVKW-OAHLLOKOSA-N 1 1 262.353 2.526 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C)CC1 ZINC000932344932 649580845 /nfs/dbraw/zinc/58/08/45/649580845.db2.gz DNILZGRKXVWEKC-NEPJUHHUSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933820958 649722989 /nfs/dbraw/zinc/72/29/89/649722989.db2.gz PXBXRLPDURNLQZ-UHFFFAOYSA-N 1 1 271.320 2.534 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933820958 649722991 /nfs/dbraw/zinc/72/29/91/649722991.db2.gz PXBXRLPDURNLQZ-UHFFFAOYSA-N 1 1 271.320 2.534 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108058 649750299 /nfs/dbraw/zinc/75/02/99/649750299.db2.gz ZBEVCHZMOWWOPI-YPMHNXCESA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934108058 649750301 /nfs/dbraw/zinc/75/03/01/649750301.db2.gz ZBEVCHZMOWWOPI-YPMHNXCESA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123364 649752852 /nfs/dbraw/zinc/75/28/52/649752852.db2.gz AFXYKSOAWHOEIZ-LERXQTSPSA-N 1 1 264.325 2.765 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934301482 649770401 /nfs/dbraw/zinc/77/04/01/649770401.db2.gz VFYMYZXUWVCJRH-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO O=[N+]([O-])c1cccc(Nc2c[nH+]c3ccccn23)c1 ZINC001204415801 769848358 /nfs/dbraw/zinc/84/83/58/769848358.db2.gz PBYPJMZYMAYYSS-UHFFFAOYSA-N 1 1 254.249 2.986 20 5 CFBDMO CC(C)(C)[NH+]1CC(Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381044 775435384 /nfs/dbraw/zinc/43/53/84/775435384.db2.gz ARUUWXZNNOADSF-UHFFFAOYSA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491598 775478517 /nfs/dbraw/zinc/47/85/17/775478517.db2.gz RNXZMGGLOIMTEW-LBPRGKRZSA-N 1 1 280.324 2.552 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491598 775478523 /nfs/dbraw/zinc/47/85/23/775478523.db2.gz RNXZMGGLOIMTEW-LBPRGKRZSA-N 1 1 280.324 2.552 20 5 CFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccnc1[N+](=O)[O-])C2 ZINC001225628947 775531808 /nfs/dbraw/zinc/53/18/08/775531808.db2.gz AJWGGAXCERSKHM-ITGUQSILSA-N 1 1 291.351 2.772 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225793759 775594939 /nfs/dbraw/zinc/59/49/39/775594939.db2.gz DYDSDPZEZITMRT-SNVBAGLBSA-N 1 1 268.288 2.597 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226130790 775710083 /nfs/dbraw/zinc/71/00/83/775710083.db2.gz VAKFAGCISAQONO-JTQLQIEISA-N 1 1 285.731 2.505 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226191486 775732919 /nfs/dbraw/zinc/73/29/19/775732919.db2.gz NQRQXCLJVGSBCN-VIFPVBQESA-N 1 1 286.278 2.735 20 5 CFBDMO CC[N@@H+]1CCC[C@H](Oc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC001226293040 775770264 /nfs/dbraw/zinc/77/02/64/775770264.db2.gz RMPIEZYQXRVSSZ-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC001226293040 775770266 /nfs/dbraw/zinc/77/02/66/775770266.db2.gz RMPIEZYQXRVSSZ-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301276 775772991 /nfs/dbraw/zinc/77/29/91/775772991.db2.gz IRWZGAKXDQPXQI-SECBINFHSA-N 1 1 290.241 2.697 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364718 775791207 /nfs/dbraw/zinc/79/12/07/775791207.db2.gz RZQBQRVRGJDYBB-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+](C)CC1 ZINC001226997696 776054274 /nfs/dbraw/zinc/05/42/74/776054274.db2.gz ZHAHZKDCPQANLX-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000025484582 776094723 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C[N@@H+](CC1=CCSC1)Cc1ccccc1[N+](=O)[O-] ZINC000595889829 349762749 /nfs/dbraw/zinc/76/27/49/349762749.db2.gz XHRBIVYBQFHJSV-UHFFFAOYSA-N 1 1 264.350 2.700 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595868322 349757607 /nfs/dbraw/zinc/75/76/07/349757607.db2.gz AVVLSAJVEJVFEX-LALPHHSUSA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596118725 349798880 /nfs/dbraw/zinc/79/88/80/349798880.db2.gz BXUGYLNPGIGBIK-LLVKDONJSA-N 1 1 281.381 2.861 20 5 CFBDMO CC[N@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268558 349847796 /nfs/dbraw/zinc/84/77/96/349847796.db2.gz JWYONAOTVZSHJN-CYBMUJFWSA-N 1 1 277.368 2.824 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000596306564 349857779 /nfs/dbraw/zinc/85/77/79/349857779.db2.gz GFPZKDIUBKVSNP-SECBINFHSA-N 1 1 269.370 2.941 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000596305910 349858145 /nfs/dbraw/zinc/85/81/45/349858145.db2.gz CTBGXGVQEWLTCQ-CYBMUJFWSA-N 1 1 263.341 2.880 20 5 CFBDMO C[N@@H+](CCCCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000413350137 529884398 /nfs/dbraw/zinc/88/43/98/529884398.db2.gz VLPBYRPLKKTHJE-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000074744534 347030313 /nfs/dbraw/zinc/03/03/13/347030313.db2.gz NICQFCWAMWSOPD-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO C[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178505292 530011016 /nfs/dbraw/zinc/01/10/16/530011016.db2.gz VSCATSSCYJCZJE-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178505292 530011017 /nfs/dbraw/zinc/01/10/17/530011017.db2.gz VSCATSSCYJCZJE-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO Cc1c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000173610596 232278184 /nfs/dbraw/zinc/27/81/84/232278184.db2.gz WNTWFCWSNSUFSB-PHIMTYICSA-N 1 1 291.351 2.715 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000273268642 192093764 /nfs/dbraw/zinc/09/37/64/192093764.db2.gz JJBBCAFSVDMUAQ-VXGBXAGGSA-N 1 1 298.408 2.885 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000273268642 192093765 /nfs/dbraw/zinc/09/37/65/192093765.db2.gz JJBBCAFSVDMUAQ-VXGBXAGGSA-N 1 1 298.408 2.885 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C)(C)CC1 ZINC000127617134 187319563 /nfs/dbraw/zinc/31/95/63/187319563.db2.gz KSEJJSHNZFLTGE-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000046092595 346419682 /nfs/dbraw/zinc/41/96/82/346419682.db2.gz MEWCYBLHGXJHIZ-CYBMUJFWSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)C1 ZINC000075717120 347094852 /nfs/dbraw/zinc/09/48/52/347094852.db2.gz AFNHLZQCSLJGLC-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048400680 346473900 /nfs/dbraw/zinc/47/39/00/346473900.db2.gz IZNYWBQMXPTKCC-CYBMUJFWSA-N 1 1 292.335 2.512 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000052103088 346514400 /nfs/dbraw/zinc/51/44/00/346514400.db2.gz MBXZJSRARZSSED-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075721884 347095284 /nfs/dbraw/zinc/09/52/84/347095284.db2.gz ZVJHBVHKWJCEEM-SNVBAGLBSA-N 1 1 290.298 2.841 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053420831 346546404 /nfs/dbraw/zinc/54/64/04/346546404.db2.gz XKHDETSJBRFRQF-NSHDSACASA-N 1 1 280.324 2.541 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000075893435 347107058 /nfs/dbraw/zinc/10/70/58/347107058.db2.gz JPRHLHQUUWILMC-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076399862 347136622 /nfs/dbraw/zinc/13/66/22/347136622.db2.gz KITNUCONISAYGU-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076399862 347136625 /nfs/dbraw/zinc/13/66/25/347136625.db2.gz KITNUCONISAYGU-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076795487 347154291 /nfs/dbraw/zinc/15/42/91/347154291.db2.gz ZYLCNPYAHDQQMX-CYBMUJFWSA-N 1 1 292.383 2.914 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000076158319 347126667 /nfs/dbraw/zinc/12/66/67/347126667.db2.gz HACQJLLGLMWTMX-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000128500262 187374386 /nfs/dbraw/zinc/37/43/86/187374386.db2.gz FNZHCQGPSJHEJY-UHFFFAOYSA-N 1 1 264.325 2.784 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207731 347449460 /nfs/dbraw/zinc/44/94/60/347449460.db2.gz VLVNFKNYPLRKHE-UWVGGRQHSA-N 1 1 275.308 2.966 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000091898867 347602614 /nfs/dbraw/zinc/60/26/14/347602614.db2.gz UTZHBQCDDLOCRR-WKIIYXSPSA-N 1 1 290.363 2.701 20 5 CFBDMO CCOc1cccc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914390 347902405 /nfs/dbraw/zinc/90/24/05/347902405.db2.gz YBMFREJABRWGCT-LLVKDONJSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777766 348002657 /nfs/dbraw/zinc/00/26/57/348002657.db2.gz NLVZJEUETWZWOT-SWLSCSKDSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777766 348002659 /nfs/dbraw/zinc/00/26/59/348002659.db2.gz NLVZJEUETWZWOT-SWLSCSKDSA-N 1 1 289.379 2.730 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000173489067 348109272 /nfs/dbraw/zinc/10/92/72/348109272.db2.gz FERSNDAQURPROP-NSHDSACASA-N 1 1 294.351 2.713 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128755522 187388362 /nfs/dbraw/zinc/38/83/62/187388362.db2.gz CJIOEXAPRNPGKJ-SNVBAGLBSA-N 1 1 295.314 2.547 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000227888153 348191675 /nfs/dbraw/zinc/19/16/75/348191675.db2.gz VTZFWJXPGPJMIK-SECBINFHSA-N 1 1 297.305 2.769 20 5 CFBDMO Cc1ncccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237606805 348241439 /nfs/dbraw/zinc/24/14/39/348241439.db2.gz RWFNLDVNKDSGIU-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255162921 348302889 /nfs/dbraw/zinc/30/28/89/348302889.db2.gz HMHWXKIOJPIKMA-IRBQFCFKSA-N 1 1 276.336 2.719 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290796980 197821771 /nfs/dbraw/zinc/82/17/71/197821771.db2.gz DJRTVDGOKXXALI-SNVBAGLBSA-N 1 1 299.396 2.507 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC000293088669 348361466 /nfs/dbraw/zinc/36/14/66/348361466.db2.gz KDUICKLEJHEPKE-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CF)cc1 ZINC000293188157 348361539 /nfs/dbraw/zinc/36/15/39/348361539.db2.gz WIRCIADKAQTFSG-ZDUSSCGKSA-N 1 1 252.289 2.571 20 5 CFBDMO Cc1c(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382703 348591416 /nfs/dbraw/zinc/59/14/16/348591416.db2.gz NCMZXYMDCYCQBX-IUODEOHRSA-N 1 1 291.395 2.853 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000404457206 348592059 /nfs/dbraw/zinc/59/20/59/348592059.db2.gz WZOYQAWLJVGPHS-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496848 348835770 /nfs/dbraw/zinc/83/57/70/348835770.db2.gz QWFYCZQVBNTFDI-CYBMUJFWSA-N 1 1 292.335 2.756 20 5 CFBDMO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877331 348862555 /nfs/dbraw/zinc/86/25/55/348862555.db2.gz VLESAJJACGYTLR-LLVKDONJSA-N 1 1 295.408 2.967 20 5 CFBDMO Cc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1[N+](=O)[O-] ZINC000590969273 348974370 /nfs/dbraw/zinc/97/43/70/348974370.db2.gz FHVSXJBOEQTDNR-UHFFFAOYSA-N 1 1 264.300 2.837 20 5 CFBDMO C[N@@H+](CCCCNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000591166372 348996180 /nfs/dbraw/zinc/99/61/80/348996180.db2.gz HKFSTMNVMOPQPZ-UHFFFAOYSA-N 1 1 269.370 2.943 20 5 CFBDMO CC(C)c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591278585 349006352 /nfs/dbraw/zinc/00/63/52/349006352.db2.gz UDPYAUMVAMWGAG-CQSZACIVSA-N 1 1 291.395 2.950 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000591578352 349032168 /nfs/dbraw/zinc/03/21/68/349032168.db2.gz VQQMGEPITTZOQX-CJNGLKHVSA-N 1 1 289.379 2.704 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592201161 349099608 /nfs/dbraw/zinc/09/96/08/349099608.db2.gz CLZZXQTUUJYAQX-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592520738 349131103 /nfs/dbraw/zinc/13/11/03/349131103.db2.gz QFNBGQUYIIMTOU-GFCCVEGCSA-N 1 1 283.397 2.572 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)C)c1 ZINC000593036302 349191338 /nfs/dbraw/zinc/19/13/38/349191338.db2.gz XYCYGXVYARNBFL-UHFFFAOYSA-N 1 1 280.324 2.612 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593067369 349200095 /nfs/dbraw/zinc/20/00/95/349200095.db2.gz JLLPQPLIWZGBAH-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317799 349246394 /nfs/dbraw/zinc/24/63/94/349246394.db2.gz YOYINBVHOVRYFV-SWLSCSKDSA-N 1 1 291.395 2.853 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414473739 233263181 /nfs/dbraw/zinc/26/31/81/233263181.db2.gz RAXDHYLGDLGSTJ-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414473739 233263184 /nfs/dbraw/zinc/26/31/84/233263184.db2.gz RAXDHYLGDLGSTJ-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1c[nH]cn1 ZINC000597171636 350043580 /nfs/dbraw/zinc/04/35/80/350043580.db2.gz YBEZSDBEZVMMIH-SDQBBNPISA-N 1 1 286.335 2.853 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1c[nH]cn1 ZINC000597171636 350043584 /nfs/dbraw/zinc/04/35/84/350043584.db2.gz YBEZSDBEZVMMIH-SDQBBNPISA-N 1 1 286.335 2.853 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597207637 350055930 /nfs/dbraw/zinc/05/59/30/350055930.db2.gz ZPPPPJACEIXHIC-MRXNPFEDSA-N 1 1 290.363 2.640 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000271218903 191010079 /nfs/dbraw/zinc/01/00/79/191010079.db2.gz ZJKAKYGKQPCPAI-INIZCTEOSA-N 1 1 292.379 2.764 20 5 CFBDMO Cc1cnc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000090691961 180024825 /nfs/dbraw/zinc/02/48/25/180024825.db2.gz FUCRKYSCXKRZPU-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000091859806 180275505 /nfs/dbraw/zinc/27/55/05/180275505.db2.gz AGBXNFNDTCRBDJ-WDEREUQCSA-N 1 1 294.351 2.842 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2n[nH]cc2C1 ZINC000598938595 350347122 /nfs/dbraw/zinc/34/71/22/350347122.db2.gz FEYNHLKJUJBBSF-GHXNOFRVSA-N 1 1 298.346 2.780 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000598998836 350357487 /nfs/dbraw/zinc/35/74/87/350357487.db2.gz INQFBWBRKVPUEY-ZDUSSCGKSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cs1 ZINC000598998836 350357489 /nfs/dbraw/zinc/35/74/89/350357489.db2.gz INQFBWBRKVPUEY-ZDUSSCGKSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599001145 350357571 /nfs/dbraw/zinc/35/75/71/350357571.db2.gz XYLIBYCJOOQALC-HNNXBMFYSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599001145 350357573 /nfs/dbraw/zinc/35/75/73/350357573.db2.gz XYLIBYCJOOQALC-HNNXBMFYSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599127170 350381229 /nfs/dbraw/zinc/38/12/29/350381229.db2.gz QMNSBYOTPLFVPO-CYBMUJFWSA-N 1 1 290.367 2.809 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599139007 350382833 /nfs/dbraw/zinc/38/28/33/350382833.db2.gz MLEDSTUUWMJHPV-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CCO ZINC000107904859 186197250 /nfs/dbraw/zinc/19/72/50/186197250.db2.gz CKNUNJNPAUJARH-NSHDSACASA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CCO ZINC000107904859 186197251 /nfs/dbraw/zinc/19/72/51/186197251.db2.gz CKNUNJNPAUJARH-NSHDSACASA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107686507 186184538 /nfs/dbraw/zinc/18/45/38/186184538.db2.gz AKSWICUWFVMILF-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107686507 186184540 /nfs/dbraw/zinc/18/45/40/186184540.db2.gz AKSWICUWFVMILF-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO COc1cc(Cn2cc[nH+]c2C2CC2)c([N+](=O)[O-])cc1F ZINC000600610083 350579574 /nfs/dbraw/zinc/57/95/74/350579574.db2.gz FQKUVUXOOIZYTE-UHFFFAOYSA-N 1 1 291.282 2.865 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc[nH+]c1C1CC1 ZINC000600611849 350580439 /nfs/dbraw/zinc/58/04/39/350580439.db2.gz VBVMEQAIROFYGX-UHFFFAOYSA-N 1 1 261.256 2.856 20 5 CFBDMO CC(C)[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553280 535148921 /nfs/dbraw/zinc/14/89/21/535148921.db2.gz YAXNKQKNHVDFRL-GDBMZVCRSA-N 1 1 292.379 2.791 20 5 CFBDMO CC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601103269 350669225 /nfs/dbraw/zinc/66/92/25/350669225.db2.gz SJOFXXQVSRNNCJ-LBPRGKRZSA-N 1 1 287.319 2.758 20 5 CFBDMO CCOc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048958 186348648 /nfs/dbraw/zinc/34/86/48/186348648.db2.gz SDUARNFXPZIQNQ-GFCCVEGCSA-N 1 1 291.351 2.642 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601124789 350675486 /nfs/dbraw/zinc/67/54/86/350675486.db2.gz SYULDPNQQAIKHT-GFCCVEGCSA-N 1 1 295.408 2.824 20 5 CFBDMO C[C@@H]1CSC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601165755 350685763 /nfs/dbraw/zinc/68/57/63/350685763.db2.gz URCJGNZRGJLQNU-OTYXRUKQSA-N 1 1 289.360 2.728 20 5 CFBDMO C[C@H]1CC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)O1 ZINC000601173235 350688822 /nfs/dbraw/zinc/68/88/22/350688822.db2.gz TUTNFCZWHPZDTC-CMPLNLGQSA-N 1 1 287.319 2.544 20 5 CFBDMO Cc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601973628 350822455 /nfs/dbraw/zinc/82/24/55/350822455.db2.gz SBHXGJUUBRCXDS-AWEZNQCLSA-N 1 1 291.395 2.771 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483250 350902370 /nfs/dbraw/zinc/90/23/70/350902370.db2.gz FTODNNOQMNORGO-CYBMUJFWSA-N 1 1 280.372 2.873 20 5 CFBDMO O=c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH]1 ZINC000602438702 350882808 /nfs/dbraw/zinc/88/28/08/350882808.db2.gz HPBFZWSZUMBHFX-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602474505 350895807 /nfs/dbraw/zinc/89/58/07/350895807.db2.gz XFVIAKNCBFSBSX-GFCCVEGCSA-N 1 1 280.372 2.586 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602474507 350896013 /nfs/dbraw/zinc/89/60/13/350896013.db2.gz XFVIAKNCBFSBSX-LBPRGKRZSA-N 1 1 280.372 2.586 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCO1)CCc1ccccc1[N+](=O)[O-] ZINC000602651046 350961635 /nfs/dbraw/zinc/96/16/35/350961635.db2.gz OSNXVPFIGOUBTA-AWEZNQCLSA-N 1 1 278.352 2.638 20 5 CFBDMO CC/C=C/C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602676476 350974061 /nfs/dbraw/zinc/97/40/61/350974061.db2.gz QMAITMDXWAPMBD-ONEGZZNKSA-N 1 1 261.281 2.792 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(Cn3c[nH+]c4c3CCCC4)nc2c1 ZINC000602720417 350998786 /nfs/dbraw/zinc/99/87/86/350998786.db2.gz GDPRZAHQAJSVGK-UHFFFAOYSA-N 1 1 298.302 2.860 20 5 CFBDMO CC[C@@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781044 351022705 /nfs/dbraw/zinc/02/27/05/351022705.db2.gz GOFSIWHBWDTYKD-AWEZNQCLSA-N 1 1 280.372 2.612 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC(C)(C)CC1 ZINC000602784491 351025194 /nfs/dbraw/zinc/02/51/94/351025194.db2.gz RKMHJZBMUVRKRP-UHFFFAOYSA-N 1 1 280.372 2.612 20 5 CFBDMO C[C@@H]1OCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796754 351029349 /nfs/dbraw/zinc/02/93/49/351029349.db2.gz FTFNBHHPAYFPST-GXTWGEPZSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccns1 ZINC000602880449 351056242 /nfs/dbraw/zinc/05/62/42/351056242.db2.gz ACOCAXBVBADUMM-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccns1 ZINC000602880449 351056246 /nfs/dbraw/zinc/05/62/46/351056246.db2.gz ACOCAXBVBADUMM-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCC1CC1)CC1CC1 ZINC000602903185 351061589 /nfs/dbraw/zinc/06/15/89/351061589.db2.gz CSYFKMSVGCAQOB-UHFFFAOYSA-N 1 1 292.383 2.612 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000602741854 351011120 /nfs/dbraw/zinc/01/11/20/351011120.db2.gz WJIHHUJNLPVFSQ-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602741850 351011237 /nfs/dbraw/zinc/01/12/37/351011237.db2.gz WJACGAAHNSGADI-KQQSKNTNSA-N 1 1 290.363 2.845 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000603028870 351091811 /nfs/dbraw/zinc/09/18/11/351091811.db2.gz HEQUEBNCBNFNDL-GFCCVEGCSA-N 1 1 290.298 2.555 20 5 CFBDMO CC(C)(C)c1cc[nH+]c(NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000603321432 351138855 /nfs/dbraw/zinc/13/88/55/351138855.db2.gz XVFRISYOXULVDU-UHFFFAOYSA-N 1 1 289.339 2.596 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409231 351211704 /nfs/dbraw/zinc/21/17/04/351211704.db2.gz GSMMXHPGUAKLAJ-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000609384276 351499833 /nfs/dbraw/zinc/49/98/33/351499833.db2.gz CNCVCCLHCNYDCX-LLVKDONJSA-N 1 1 279.315 2.630 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610133407 351535923 /nfs/dbraw/zinc/53/59/23/351535923.db2.gz MVEPLCGEVPQKPF-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1cnc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000610284192 351549436 /nfs/dbraw/zinc/54/94/36/351549436.db2.gz HODBBDOCSVHKNF-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000610476344 351569053 /nfs/dbraw/zinc/56/90/53/351569053.db2.gz PQAGEDOGTZWPMS-UHFFFAOYSA-N 1 1 292.383 2.873 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000610550189 351581556 /nfs/dbraw/zinc/58/15/56/351581556.db2.gz GWZSGSAXKOHDRC-SNVBAGLBSA-N 1 1 269.370 2.943 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000610807998 351610722 /nfs/dbraw/zinc/61/07/22/351610722.db2.gz GWIQTMKAIJAOHD-WDEREUQCSA-N 1 1 281.381 2.577 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092284 351639888 /nfs/dbraw/zinc/63/98/88/351639888.db2.gz NLQNSYYMNVEDEE-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO COCC1([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611178685 351647539 /nfs/dbraw/zinc/64/75/39/351647539.db2.gz KRXRUHBMWXTLKZ-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611178685 351647542 /nfs/dbraw/zinc/64/75/42/351647542.db2.gz KRXRUHBMWXTLKZ-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000611222025 351652664 /nfs/dbraw/zinc/65/26/64/351652664.db2.gz HMAXENQELHFMEW-VHSXEESVSA-N 1 1 269.370 2.575 20 5 CFBDMO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@H+]1C ZINC000611413138 351686080 /nfs/dbraw/zinc/68/60/80/351686080.db2.gz UEHYNJVQJGOIBX-RKDXNWHRSA-N 1 1 255.343 2.551 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501460 351698114 /nfs/dbraw/zinc/69/81/14/351698114.db2.gz CDMASHCWGSSWEQ-GXFFZTMASA-N 1 1 252.289 2.775 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501460 351698117 /nfs/dbraw/zinc/69/81/17/351698117.db2.gz CDMASHCWGSSWEQ-GXFFZTMASA-N 1 1 252.289 2.775 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000611515574 351702322 /nfs/dbraw/zinc/70/23/22/351702322.db2.gz FGHQLPGLZMPFQT-ZDUSSCGKSA-N 1 1 276.336 2.978 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285457 351664278 /nfs/dbraw/zinc/66/42/78/351664278.db2.gz FAOZMAJUZLJTAH-WDEREUQCSA-N 1 1 292.335 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000611370588 351675353 /nfs/dbraw/zinc/67/53/53/351675353.db2.gz JFLJREVZFADOFC-VIFPVBQESA-N 1 1 278.337 2.763 20 5 CFBDMO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000291666219 198056380 /nfs/dbraw/zinc/05/63/80/198056380.db2.gz FSJOMSDJOIRJMC-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616641 351714662 /nfs/dbraw/zinc/71/46/62/351714662.db2.gz IWYWXPRWTAFPOK-CYBMUJFWSA-N 1 1 292.383 2.750 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616929 351715078 /nfs/dbraw/zinc/71/50/78/351715078.db2.gz YGGQWSGVINYADP-LBPRGKRZSA-N 1 1 278.356 2.503 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123144658 187073630 /nfs/dbraw/zinc/07/36/30/187073630.db2.gz ZQYOUIVFTDJKQP-GXTWGEPZSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144658 187073631 /nfs/dbraw/zinc/07/36/31/187073631.db2.gz ZQYOUIVFTDJKQP-GXTWGEPZSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144658 187073632 /nfs/dbraw/zinc/07/36/32/187073632.db2.gz ZQYOUIVFTDJKQP-GXTWGEPZSA-N 1 1 277.368 2.509 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000122922242 187059661 /nfs/dbraw/zinc/05/96/61/187059661.db2.gz IBQOYLKLUNSXCG-GFCCVEGCSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122992481 187064343 /nfs/dbraw/zinc/06/43/43/187064343.db2.gz LUPZLJAYIMEOPY-NXEZZACHSA-N 1 1 279.315 2.771 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123644154 187102290 /nfs/dbraw/zinc/10/22/90/187102290.db2.gz CNASNPKRHUDGTP-CMPLNLGQSA-N 1 1 283.397 2.571 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647273 187102695 /nfs/dbraw/zinc/10/26/95/187102695.db2.gz PITRVCGIEHDVFE-YPMHNXCESA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123807423 187110011 /nfs/dbraw/zinc/11/00/11/187110011.db2.gz AVGOURUPFDPWLP-JSGCOSHPSA-N 1 1 277.368 2.509 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000614261520 352072015 /nfs/dbraw/zinc/07/20/15/352072015.db2.gz IGAJXASKSREPMB-PHIMTYICSA-N 1 1 286.335 2.703 20 5 CFBDMO CCOCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271538702 191199973 /nfs/dbraw/zinc/19/99/73/191199973.db2.gz YLFZWYXMAKQTLB-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CCOCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271538702 191199976 /nfs/dbraw/zinc/19/99/76/191199976.db2.gz YLFZWYXMAKQTLB-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532708 191195469 /nfs/dbraw/zinc/19/54/69/191195469.db2.gz MNKNKEATFJUTRV-UXIGCNINSA-N 1 1 278.352 2.891 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075321 198154193 /nfs/dbraw/zinc/15/41/93/198154193.db2.gz FALHMAAZLJCASD-CYBMUJFWSA-N 1 1 291.395 2.904 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000617214916 352517803 /nfs/dbraw/zinc/51/78/03/352517803.db2.gz YHGFYLAPAALSCY-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000617214916 352517807 /nfs/dbraw/zinc/51/78/07/352517807.db2.gz YHGFYLAPAALSCY-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728641 191295558 /nfs/dbraw/zinc/29/55/58/191295558.db2.gz MPMVNMHVBNOOTL-STQMWFEESA-N 1 1 277.368 2.730 20 5 CFBDMO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000272044233 191483793 /nfs/dbraw/zinc/48/37/93/191483793.db2.gz PDTBOFUFIQAEEU-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352457 199008691 /nfs/dbraw/zinc/00/86/91/199008691.db2.gz PWYRJGQJEDDHAW-NEPJUHHUSA-N 1 1 294.399 2.556 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352457 199008693 /nfs/dbraw/zinc/00/86/93/199008693.db2.gz PWYRJGQJEDDHAW-NEPJUHHUSA-N 1 1 294.399 2.556 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000119516212 540467830 /nfs/dbraw/zinc/46/78/30/540467830.db2.gz BQRWVEBAFILFIR-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000119516212 540467833 /nfs/dbraw/zinc/46/78/33/540467833.db2.gz BQRWVEBAFILFIR-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422917116 237344513 /nfs/dbraw/zinc/34/45/13/237344513.db2.gz CMVBFJBYMQCWDA-OCCSQVGLSA-N 1 1 277.368 2.696 20 5 CFBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856910 189151186 /nfs/dbraw/zinc/15/11/86/189151186.db2.gz BQSOHTSLVNXKQO-CQSZACIVSA-N 1 1 264.325 2.501 20 5 CFBDMO Cc1c([C@H](C)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423211353 238280588 /nfs/dbraw/zinc/28/05/88/238280588.db2.gz KZCFVOHJEPHWGB-QWHCGFSZSA-N 1 1 277.368 2.553 20 5 CFBDMO Cc1ccc(C[N@H+]2CCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000179662790 189210718 /nfs/dbraw/zinc/21/07/18/189210718.db2.gz QPBXKAAHSXKRHO-LLVKDONJSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000179662790 189210719 /nfs/dbraw/zinc/21/07/19/189210719.db2.gz QPBXKAAHSXKRHO-LLVKDONJSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301988760 540969403 /nfs/dbraw/zinc/96/94/03/540969403.db2.gz WJKYPJAQKUAMHU-XJKSGUPXSA-N 1 1 289.379 2.824 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000301425549 201004373 /nfs/dbraw/zinc/00/43/73/201004373.db2.gz DIAVZJKJMISJHL-CYBMUJFWSA-N 1 1 277.368 2.905 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000301570349 201072620 /nfs/dbraw/zinc/07/26/20/201072620.db2.gz OBEUWKGRYYHRAH-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@@H](C)O ZINC000182810494 189335948 /nfs/dbraw/zinc/33/59/48/189335948.db2.gz LYZIVBWBHWZECW-VXGBXAGGSA-N 1 1 266.341 2.667 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301733650 201165654 /nfs/dbraw/zinc/16/56/54/201165654.db2.gz GCCJKEWIQMABAG-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301765634 201185111 /nfs/dbraw/zinc/18/51/11/201185111.db2.gz CXGQABZQBSIEPL-ZDUSSCGKSA-N 1 1 292.383 2.912 20 5 CFBDMO COc1cc(C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184227253 189380023 /nfs/dbraw/zinc/38/00/23/189380023.db2.gz UESIBNUQNZAAKY-SECBINFHSA-N 1 1 268.288 2.727 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184227253 189380024 /nfs/dbraw/zinc/38/00/24/189380024.db2.gz UESIBNUQNZAAKY-SECBINFHSA-N 1 1 268.288 2.727 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234684 239182252 /nfs/dbraw/zinc/18/22/52/239182252.db2.gz AFVMSEXEGVUBPO-KCPJHIHWSA-N 1 1 278.352 2.891 20 5 CFBDMO CC1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000302179218 201384766 /nfs/dbraw/zinc/38/47/66/201384766.db2.gz XTJBXXDMMMUPJH-UHFFFAOYSA-N 1 1 296.758 2.707 20 5 CFBDMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000302179218 201384768 /nfs/dbraw/zinc/38/47/68/201384768.db2.gz XTJBXXDMMMUPJH-UHFFFAOYSA-N 1 1 296.758 2.707 20 5 CFBDMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])s3)ccc2[nH+]1 ZINC000443525325 241072438 /nfs/dbraw/zinc/07/24/38/241072438.db2.gz YNJWWVCLFITWID-UHFFFAOYSA-N 1 1 275.293 2.751 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000443775003 241086824 /nfs/dbraw/zinc/08/68/24/241086824.db2.gz AYEGSESZYVYFNS-NORZTCDRSA-N 1 1 292.379 2.885 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330923 241053065 /nfs/dbraw/zinc/05/30/65/241053065.db2.gz USPMPWQFYMKBPR-JRPNMDOOSA-N 1 1 296.342 2.715 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657512 241159835 /nfs/dbraw/zinc/15/98/35/241159835.db2.gz KVRYVMPJXYWDCC-VIFPVBQESA-N 1 1 262.313 2.701 20 5 CFBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632835 242080850 /nfs/dbraw/zinc/08/08/50/242080850.db2.gz NXNVSRQSNDTNLX-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449562967 242034403 /nfs/dbraw/zinc/03/44/03/242034403.db2.gz PRPHIBYWTXOZOE-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449687786 242108698 /nfs/dbraw/zinc/10/86/98/242108698.db2.gz QYALKEQIBXCNSQ-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449791798 242167974 /nfs/dbraw/zinc/16/79/74/242167974.db2.gz QIEWJSSNHQOTSS-NMNMAYGDSA-N 1 1 290.363 2.702 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000452032009 243016330 /nfs/dbraw/zinc/01/63/30/243016330.db2.gz VJHOFTIIOZGLEM-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000452032009 243016333 /nfs/dbraw/zinc/01/63/33/243016333.db2.gz VJHOFTIIOZGLEM-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000452092838 243041701 /nfs/dbraw/zinc/04/17/01/243041701.db2.gz URJOMLAGCBIZSL-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452115703 243048915 /nfs/dbraw/zinc/04/89/15/243048915.db2.gz FSPXFQXYYNRRTJ-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863676 203327549 /nfs/dbraw/zinc/32/75/49/203327549.db2.gz TXLOMKJWRBFWGQ-YPMHNXCESA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908292 203376460 /nfs/dbraw/zinc/37/64/60/203376460.db2.gz OJUPTKQNOHCPEA-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO CCOCCOCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276228309 193250267 /nfs/dbraw/zinc/25/02/67/193250267.db2.gz JZWFRRLPWFTNTC-CYBMUJFWSA-N 1 1 296.367 2.641 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000007447154 371894752 /nfs/dbraw/zinc/89/47/52/371894752.db2.gz XSBQLLWSDDUGOD-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000020047884 372222705 /nfs/dbraw/zinc/22/27/05/372222705.db2.gz FBGQQIWDLQPWMF-CQSZACIVSA-N 1 1 291.395 2.949 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020047879 372223583 /nfs/dbraw/zinc/22/35/83/372223583.db2.gz OCLRMWIPXCDSTN-CQSZACIVSA-N 1 1 291.395 2.949 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000023991436 372268701 /nfs/dbraw/zinc/26/87/01/372268701.db2.gz PUMFEBRMURYHCN-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991744 372269016 /nfs/dbraw/zinc/26/90/16/372269016.db2.gz WJTRQCNAYVHFJE-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO CCCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026161901 372314213 /nfs/dbraw/zinc/31/42/13/372314213.db2.gz STDFBDRALZLZAY-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037647794 372682369 /nfs/dbraw/zinc/68/23/69/372682369.db2.gz HMGFDOTZDNLASQ-SECBINFHSA-N 1 1 269.732 2.612 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)C1CCCCC1 ZINC000049855202 373324034 /nfs/dbraw/zinc/32/40/34/373324034.db2.gz BKONJLUHZSNDQY-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[N@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110070 373497323 /nfs/dbraw/zinc/49/73/23/373497323.db2.gz NUJJYOCDXJEOHS-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110070 373497329 /nfs/dbraw/zinc/49/73/29/373497329.db2.gz NUJJYOCDXJEOHS-GFCCVEGCSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000451724211 383691294 /nfs/dbraw/zinc/69/12/94/383691294.db2.gz DVPJFWHRTAMUOY-CQSZACIVSA-N 1 1 277.368 2.511 20 5 CFBDMO CC(C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000065961011 373906290 /nfs/dbraw/zinc/90/62/90/373906290.db2.gz NSPYPOWYBWUNOA-UHFFFAOYSA-N 1 1 252.314 2.561 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000070014438 374117103 /nfs/dbraw/zinc/11/71/03/374117103.db2.gz STXURUURNFWDLV-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CCCc1[nH+]ccn1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000070424833 374173655 /nfs/dbraw/zinc/17/36/55/374173655.db2.gz IMDUCVXYLABSLL-UHFFFAOYSA-N 1 1 273.292 2.627 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C ZINC000072874414 374297457 /nfs/dbraw/zinc/29/74/57/374297457.db2.gz VRKFCGXGISXWGI-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536299 383704505 /nfs/dbraw/zinc/70/45/05/383704505.db2.gz CMAOIDZVIBURGA-WFASDCNBSA-N 1 1 291.395 2.902 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCSCC3)nc2c1 ZINC000089980654 374980317 /nfs/dbraw/zinc/98/03/17/374980317.db2.gz ZJUUGHZFQKZKDK-UHFFFAOYSA-N 1 1 293.348 2.675 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCSCC3)nc2c1 ZINC000089980654 374980320 /nfs/dbraw/zinc/98/03/20/374980320.db2.gz ZJUUGHZFQKZKDK-UHFFFAOYSA-N 1 1 293.348 2.675 20 5 CFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000090794519 375027993 /nfs/dbraw/zinc/02/79/93/375027993.db2.gz KCKYLUUMBNTAAQ-QWHCGFSZSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795057 375029211 /nfs/dbraw/zinc/02/92/11/375029211.db2.gz HLNNMJNZIGMOHN-ONGXEEELSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000090795149 375030492 /nfs/dbraw/zinc/03/04/92/375030492.db2.gz KHPQPDSYULFMPD-VHSXEESVSA-N 1 1 267.304 2.629 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000092982165 375173460 /nfs/dbraw/zinc/17/34/60/375173460.db2.gz MRLCDGMQJIWTAJ-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC12CCC2 ZINC000093509916 375260090 /nfs/dbraw/zinc/26/00/90/375260090.db2.gz XHNQJHGZOYVRIR-ZZXKWVIFSA-N 1 1 288.347 2.863 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOCC12CCC2 ZINC000093509916 375260095 /nfs/dbraw/zinc/26/00/95/375260095.db2.gz XHNQJHGZOYVRIR-ZZXKWVIFSA-N 1 1 288.347 2.863 20 5 CFBDMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000094460478 375362979 /nfs/dbraw/zinc/36/29/79/375362979.db2.gz ANSHNYHUJJECOY-GFCCVEGCSA-N 1 1 295.770 2.528 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097635710 375574807 /nfs/dbraw/zinc/57/48/07/375574807.db2.gz PQZPKYFDXNRNHM-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO 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/nfs/dbraw/zinc/29/45/06/376294506.db2.gz UZVLXEGGDMEVBV-MNOVXSKESA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000118415773 376294823 /nfs/dbraw/zinc/29/48/23/376294823.db2.gz AMDOJGITLYVHAJ-MNOVXSKESA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@H](O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119101502 376354596 /nfs/dbraw/zinc/35/45/96/376354596.db2.gz WXJYODPHHCRRPJ-JTQLQIEISA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000119226914 376376766 /nfs/dbraw/zinc/37/67/66/376376766.db2.gz VQHIVPNFLBNRCW-NSHDSACASA-N 1 1 290.323 2.610 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000120232076 376576164 /nfs/dbraw/zinc/57/61/64/376576164.db2.gz NCHNYHCXLKAQCF-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO Cc1cccn2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)nc12 ZINC000124003791 377006418 /nfs/dbraw/zinc/00/64/18/377006418.db2.gz BORZMYSKMILBID-UHFFFAOYSA-N 1 1 296.330 2.841 20 5 CFBDMO CN(C)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000125615188 377176819 /nfs/dbraw/zinc/17/68/19/377176819.db2.gz OMTOPCQGRHMNDV-UHFFFAOYSA-N 1 1 291.395 2.901 20 5 CFBDMO CN(C)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000125615188 377176825 /nfs/dbraw/zinc/17/68/25/377176825.db2.gz OMTOPCQGRHMNDV-UHFFFAOYSA-N 1 1 291.395 2.901 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000128001730 377311816 /nfs/dbraw/zinc/31/18/16/377311816.db2.gz JEBOHKIHTLCRFF-GBXSZLQWSA-N 1 1 276.336 2.719 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000128440228 377337113 /nfs/dbraw/zinc/33/71/13/377337113.db2.gz QEDXCHUOTKNLOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000128440228 377337117 /nfs/dbraw/zinc/33/71/17/377337117.db2.gz QEDXCHUOTKNLOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000133503832 377935230 /nfs/dbraw/zinc/93/52/30/377935230.db2.gz QVBCCFYTFRGXFT-BDAKNGLRSA-N 1 1 296.758 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000432146248 383725554 /nfs/dbraw/zinc/72/55/54/383725554.db2.gz AAJPODNNSSFXQG-VIFPVBQESA-N 1 1 292.726 2.872 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC1 ZINC000135254316 378105670 /nfs/dbraw/zinc/10/56/70/378105670.db2.gz UERPCEJOHDGUTB-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1c(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000136175992 378185031 /nfs/dbraw/zinc/18/50/31/378185031.db2.gz JLPKSIVBWYKZCH-SMDDNHRTSA-N 1 1 278.352 2.639 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136807386 378211337 /nfs/dbraw/zinc/21/13/37/378211337.db2.gz GJYIFRWMEOZZMT-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152808381 378449950 /nfs/dbraw/zinc/44/99/50/378449950.db2.gz OMHDPEUYXQIILH-ZDUSSCGKSA-N 1 1 279.384 2.896 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153971910 378527869 /nfs/dbraw/zinc/52/78/69/378527869.db2.gz FNNQXUORARWWQK-CQSZACIVSA-N 1 1 296.754 2.861 20 5 CFBDMO CC[C@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330504966 378573557 /nfs/dbraw/zinc/57/35/57/378573557.db2.gz FQQIHBPERTZWRI-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330504966 378573562 /nfs/dbraw/zinc/57/35/62/378573562.db2.gz FQQIHBPERTZWRI-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089227 378631065 /nfs/dbraw/zinc/63/10/65/378631065.db2.gz UNRTZRYDVKGHOW-SWLSCSKDSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089227 378631076 /nfs/dbraw/zinc/63/10/76/378631076.db2.gz UNRTZRYDVKGHOW-SWLSCSKDSA-N 1 1 291.395 2.723 20 5 CFBDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332710981 378792750 /nfs/dbraw/zinc/79/27/50/378792750.db2.gz OTABXEDQFZBACR-GFCCVEGCSA-N 1 1 280.372 2.729 20 5 CFBDMO COc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000172590129 379601057 /nfs/dbraw/zinc/60/10/57/379601057.db2.gz AGIRGJOPOTXJTQ-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc(C[N@H+]2CCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000172590129 379601071 /nfs/dbraw/zinc/60/10/71/379601071.db2.gz AGIRGJOPOTXJTQ-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000174830283 379947966 /nfs/dbraw/zinc/94/79/66/379947966.db2.gz ABTYKDWJIFYJHM-UHFFFAOYSA-N 1 1 292.383 2.836 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000176240329 380199896 /nfs/dbraw/zinc/19/98/96/380199896.db2.gz FKKBZMUCKOOINK-UHFFFAOYSA-N 1 1 292.383 2.838 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000176244998 380201503 /nfs/dbraw/zinc/20/15/03/380201503.db2.gz OABKWZYYJMPNJA-HNNXBMFYSA-N 1 1 290.367 2.614 20 5 CFBDMO Cc1[nH+]ccn1CCCSc1ncccc1[N+](=O)[O-] ZINC000342711297 220276236 /nfs/dbraw/zinc/27/62/36/220276236.db2.gz WWHZIOJGUMMFKC-UHFFFAOYSA-N 1 1 278.337 2.677 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CCO ZINC000336811748 380671945 /nfs/dbraw/zinc/67/19/45/380671945.db2.gz OIPMBCCLQSNKDK-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000336811748 380671948 /nfs/dbraw/zinc/67/19/48/380671948.db2.gz OIPMBCCLQSNKDK-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC(=O)CC1 ZINC000295389122 380824431 /nfs/dbraw/zinc/82/44/31/380824431.db2.gz UXHFIWUGYFNTJQ-UHFFFAOYSA-N 1 1 290.363 2.828 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353769929 380840447 /nfs/dbraw/zinc/84/04/47/380840447.db2.gz SRQRTQXOCBYQNK-HIFRSBDPSA-N 1 1 291.395 2.899 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCn2c[nH+]c3c2CCCC3)cc1 ZINC000295418259 380840870 /nfs/dbraw/zinc/84/08/70/380840870.db2.gz XWMUGRATBBSDDL-UHFFFAOYSA-N 1 1 287.319 2.749 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347021770 380884751 /nfs/dbraw/zinc/88/47/51/380884751.db2.gz NNTBZCMELQNKJO-UHIISALHSA-N 1 1 292.335 2.539 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000368101363 380924210 /nfs/dbraw/zinc/92/42/10/380924210.db2.gz SVOKMFPFYDIAEJ-YUELXQCFSA-N 1 1 276.336 2.503 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295619986 380979038 /nfs/dbraw/zinc/97/90/38/380979038.db2.gz ZBMZDHZMZLJRAU-CQSZACIVSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000182120342 380994614 /nfs/dbraw/zinc/99/46/14/380994614.db2.gz FAETXKNUUWJDRG-SNVBAGLBSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000182120342 380994622 /nfs/dbraw/zinc/99/46/22/380994622.db2.gz FAETXKNUUWJDRG-SNVBAGLBSA-N 1 1 284.743 2.859 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000295659589 381002096 /nfs/dbraw/zinc/00/20/96/381002096.db2.gz BNYQNBFLNHZWJG-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000354059079 381052889 /nfs/dbraw/zinc/05/28/89/381052889.db2.gz OHSQICVNSBDSIH-SOIVGHGOSA-N 1 1 292.379 2.947 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411935433 381062514 /nfs/dbraw/zinc/06/25/14/381062514.db2.gz HZOJHTRLZLEHTM-RDJZCZTQSA-N 1 1 298.342 2.903 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000354077895 381063207 /nfs/dbraw/zinc/06/32/07/381063207.db2.gz JYMOGVAGYCUFKJ-RYUDHWBXSA-N 1 1 282.365 2.515 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411935434 381064014 /nfs/dbraw/zinc/06/40/14/381064014.db2.gz HZOJHTRLZLEHTM-WBVHZDCISA-N 1 1 298.342 2.903 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CO)C1 ZINC000347343102 381083368 /nfs/dbraw/zinc/08/33/68/381083368.db2.gz QIGLMDCTXZQWQX-JEMSNHSXSA-N 1 1 290.363 2.702 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092481 381157280 /nfs/dbraw/zinc/15/72/80/381157280.db2.gz RDHPJRVIZCHICZ-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092481 381157291 /nfs/dbraw/zinc/15/72/91/381157291.db2.gz RDHPJRVIZCHICZ-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO CCc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000341726000 381192958 /nfs/dbraw/zinc/19/29/58/381192958.db2.gz GEUOXORFLRNQPT-LLVKDONJSA-N 1 1 286.335 2.851 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000359083392 381256009 /nfs/dbraw/zinc/25/60/09/381256009.db2.gz OFZJZNBMMHUPDA-GFCCVEGCSA-N 1 1 290.367 2.669 20 5 CFBDMO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000354438309 381264409 /nfs/dbraw/zinc/26/44/09/381264409.db2.gz DVSCLDHTCIDFCZ-LBPRGKRZSA-N 1 1 280.368 2.921 20 5 CFBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000183179949 381228765 /nfs/dbraw/zinc/22/87/65/381228765.db2.gz WNSWFOKNRROVNV-CYBMUJFWSA-N 1 1 274.324 2.569 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369381965 381249743 /nfs/dbraw/zinc/24/97/43/381249743.db2.gz TZZABYXSABNTAR-ILMGOGQSSA-N 1 1 290.363 2.749 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnns2)cc1[N+](=O)[O-] ZINC000290069063 381286541 /nfs/dbraw/zinc/28/65/41/381286541.db2.gz PWYKAZYGESAMPJ-SECBINFHSA-N 1 1 278.337 2.606 20 5 CFBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000290591521 381491679 /nfs/dbraw/zinc/49/16/79/381491679.db2.gz CZLWKNPIZVPRIB-SNVBAGLBSA-N 1 1 291.355 2.612 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000290814280 381562027 /nfs/dbraw/zinc/56/20/27/381562027.db2.gz RNLGGDCXUBVYQS-WDEREUQCSA-N 1 1 291.351 2.641 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000342862372 381590138 /nfs/dbraw/zinc/59/01/38/381590138.db2.gz SIXDOTYIBYSEDG-LBPRGKRZSA-N 1 1 264.325 2.834 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000355114460 381620873 /nfs/dbraw/zinc/62/08/73/381620873.db2.gz UTZHBQCDDLOCRR-YAIPVJBQSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291015521 381631919 /nfs/dbraw/zinc/63/19/19/381631919.db2.gz BTOJOTWDMZXTNI-ZETCQYMHSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291015521 381631925 /nfs/dbraw/zinc/63/19/25/381631925.db2.gz BTOJOTWDMZXTNI-ZETCQYMHSA-N 1 1 293.150 2.714 20 5 CFBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291069278 381655872 /nfs/dbraw/zinc/65/58/72/381655872.db2.gz LHUZMKLNUFPUDO-GFCCVEGCSA-N 1 1 266.341 2.760 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000414962386 381658306 /nfs/dbraw/zinc/65/83/06/381658306.db2.gz WAJWIBNGVAHBNJ-KRWDZBQOSA-N 1 1 297.358 2.571 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000414962390 381658446 /nfs/dbraw/zinc/65/84/46/381658446.db2.gz WAJWIBNGVAHBNJ-QGZVFWFLSA-N 1 1 297.358 2.571 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355203324 381674084 /nfs/dbraw/zinc/67/40/84/381674084.db2.gz DUDNOLFIRJESDV-UKRRQHHQSA-N 1 1 290.363 2.843 20 5 CFBDMO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361409086 381828303 /nfs/dbraw/zinc/82/83/03/381828303.db2.gz SQKHPAJVBURHJW-CYBMUJFWSA-N 1 1 294.351 2.603 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299340083 381901630 /nfs/dbraw/zinc/90/16/30/381901630.db2.gz DULMYMLYWDLHFR-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000293044754 381964570 /nfs/dbraw/zinc/96/45/70/381964570.db2.gz MKPCBGBPHNLPAZ-MRXNPFEDSA-N 1 1 292.379 2.825 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000349976604 382001949 /nfs/dbraw/zinc/00/19/49/382001949.db2.gz PVXRRYNBJNDEGD-ZIAGYGMSSA-N 1 1 291.395 2.818 20 5 CFBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1OC ZINC000362345774 382017504 /nfs/dbraw/zinc/01/75/04/382017504.db2.gz IEPDTDRDVSHJKR-UHFFFAOYSA-N 1 1 275.308 2.801 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000351503733 382040247 /nfs/dbraw/zinc/04/02/47/382040247.db2.gz SMFKBOVRGMHBIC-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000351977158 382102316 /nfs/dbraw/zinc/10/23/16/382102316.db2.gz FIHPMEMXTJWPGD-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000301241261 382119296 /nfs/dbraw/zinc/11/92/96/382119296.db2.gz GDZIAANQLYRRKD-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)CC1 ZINC000293309751 382072250 /nfs/dbraw/zinc/07/22/50/382072250.db2.gz WZRWVJGAZHICLF-VXGBXAGGSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[N@@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1F)C(C)C ZINC000357238787 382073074 /nfs/dbraw/zinc/07/30/74/382073074.db2.gz XZMFYHKOUAKHEI-UHFFFAOYSA-N 1 1 299.346 2.885 20 5 CFBDMO O=[N+]([O-])c1ccc(NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000301095045 382081344 /nfs/dbraw/zinc/08/13/44/382081344.db2.gz ZARDDNRCADCJNV-UHFFFAOYSA-N 1 1 286.335 2.782 20 5 CFBDMO COc1cc(C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351976348 382101249 /nfs/dbraw/zinc/10/12/49/382101249.db2.gz AETXPJIBWXNYPB-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO C[C@H]1C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352015714 382129745 /nfs/dbraw/zinc/12/97/45/382129745.db2.gz RPGKZYYIGCPCOO-IUCAKERBSA-N 1 1 270.279 2.961 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301282989 382135240 /nfs/dbraw/zinc/13/52/40/382135240.db2.gz PHVNMEJYSDQTFT-SNVBAGLBSA-N 1 1 298.774 2.930 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301292717 382140666 /nfs/dbraw/zinc/14/06/66/382140666.db2.gz VQWYIQWABVNLNY-JTQLQIEISA-N 1 1 298.774 2.930 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000301328729 382148359 /nfs/dbraw/zinc/14/83/59/382148359.db2.gz 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CCC[N@@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000357793272 382325014 /nfs/dbraw/zinc/32/50/14/382325014.db2.gz BUKIDAKKQYZNRO-LLVKDONJSA-N 1 1 297.403 2.652 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187918467 382295962 /nfs/dbraw/zinc/29/59/62/382295962.db2.gz GEDIOYFVSRSUAY-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1oncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570689 382399695 /nfs/dbraw/zinc/39/96/95/382399695.db2.gz KXBPZRZCDUFFJW-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420935637 382501719 /nfs/dbraw/zinc/50/17/19/382501719.db2.gz HXDYJZLWTAGEON-KWCYVHTRSA-N 1 1 292.379 2.915 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000358308558 382560729 /nfs/dbraw/zinc/56/07/29/382560729.db2.gz PCGIYTMXCSUDRQ-JTQLQIEISA-N 1 1 299.396 2.507 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000389298195 382614533 /nfs/dbraw/zinc/61/45/33/382614533.db2.gz ZBWHBFOHWXQWMQ-NSHDSACASA-N 1 1 281.331 2.937 20 5 CFBDMO CC(C)(O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000189942609 382646365 /nfs/dbraw/zinc/64/63/65/382646365.db2.gz MJQRPKFYDIDJLN-FNORWQNLSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312272 382661565 /nfs/dbraw/zinc/66/15/65/382661565.db2.gz KQEBMTMTFIBJKL-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312272 382661567 /nfs/dbraw/zinc/66/15/67/382661567.db2.gz KQEBMTMTFIBJKL-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000190436577 382668120 /nfs/dbraw/zinc/66/81/20/382668120.db2.gz YMUSZWWFUFTNTA-LBPRGKRZSA-N 1 1 296.392 2.659 20 5 CFBDMO CCC[C@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000212226612 382776258 /nfs/dbraw/zinc/77/62/58/382776258.db2.gz ROAWGTUKMAJFBQ-HNNXBMFYSA-N 1 1 288.351 2.959 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000220349841 382795851 /nfs/dbraw/zinc/79/58/51/382795851.db2.gz RBLKYDXFQBQGGC-LLVKDONJSA-N 1 1 281.356 2.746 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227378674 382836800 /nfs/dbraw/zinc/83/68/00/382836800.db2.gz WEQJSGLLYOPVIN-HOCLYGCPSA-N 1 1 290.363 2.722 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227902124 382842664 /nfs/dbraw/zinc/84/26/64/382842664.db2.gz DSCCFAYQKVYXSL-NEPJUHHUSA-N 1 1 279.315 2.773 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000578833453 382957598 /nfs/dbraw/zinc/95/75/98/382957598.db2.gz UVZWHOOEAUKDBT-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000578833453 382957605 /nfs/dbraw/zinc/95/76/05/382957605.db2.gz UVZWHOOEAUKDBT-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1cnc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447808332 383009208 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C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCC[C@H](C)C1 ZINC000339002395 383116054 /nfs/dbraw/zinc/11/60/54/383116054.db2.gz JLDKSDQZSWPPNC-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)c(F)c1 ZINC000339588532 383256292 /nfs/dbraw/zinc/25/62/92/383256292.db2.gz APXOHOYKPUXTLX-CMPLNLGQSA-N 1 1 256.252 2.714 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000248595014 383268343 /nfs/dbraw/zinc/26/83/43/383268343.db2.gz HYMLSLJLTWELST-GOEBONIOSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000519521745 383219982 /nfs/dbraw/zinc/21/99/82/383219982.db2.gz DMTVIGGYMOXKEN-LLVKDONJSA-N 1 1 298.774 2.564 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492084 383330707 /nfs/dbraw/zinc/33/07/07/383330707.db2.gz BFCLWBCHFMXSDO-DOMZBBRYSA-N 1 1 278.352 2.760 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251843913 383397348 /nfs/dbraw/zinc/39/73/48/383397348.db2.gz MYRBSMMCCBUYBK-GXSJLCMTSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251843913 383397352 /nfs/dbraw/zinc/39/73/52/383397352.db2.gz MYRBSMMCCBUYBK-GXSJLCMTSA-N 1 1 270.354 2.513 20 5 CFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252513084 383416790 /nfs/dbraw/zinc/41/67/90/383416790.db2.gz KCKYLUUMBNTAAQ-STQMWFEESA-N 1 1 291.351 2.642 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249889453 383366050 /nfs/dbraw/zinc/36/60/50/383366050.db2.gz CBBPOVQINLTOIP-RYUDHWBXSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000253103984 383445644 /nfs/dbraw/zinc/44/56/44/383445644.db2.gz ZDPZNGVTUACHOC-ARFHVFGLSA-N 1 1 290.363 2.720 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255341272 383479675 /nfs/dbraw/zinc/47/96/75/383479675.db2.gz VSYPCYHFNRVHRN-HJHHMULASA-N 1 1 276.336 2.719 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429314118 383518999 /nfs/dbraw/zinc/51/89/99/383518999.db2.gz YGSAXEQPSRSPMP-JGPRNRPPSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429314118 383519001 /nfs/dbraw/zinc/51/90/01/383519001.db2.gz YGSAXEQPSRSPMP-JGPRNRPPSA-N 1 1 298.770 2.982 20 5 CFBDMO Nc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000261659942 383539700 /nfs/dbraw/zinc/53/97/00/383539700.db2.gz IUSWSOSYBKGWJZ-UHFFFAOYSA-N 1 1 283.331 2.735 20 5 CFBDMO Nc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000261659942 383539703 /nfs/dbraw/zinc/53/97/03/383539703.db2.gz IUSWSOSYBKGWJZ-UHFFFAOYSA-N 1 1 283.331 2.735 20 5 CFBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000569826093 383542330 /nfs/dbraw/zinc/54/23/30/383542330.db2.gz WVIQOAHIGAEDIN-IAQYHMDHSA-N 1 1 289.379 2.654 20 5 CFBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000569826093 383542334 /nfs/dbraw/zinc/54/23/34/383542334.db2.gz WVIQOAHIGAEDIN-IAQYHMDHSA-N 1 1 289.379 2.654 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000570131967 383574458 /nfs/dbraw/zinc/57/44/58/383574458.db2.gz GHBOUYWRRXHRRG-UHFFFAOYSA-N 1 1 282.290 2.998 20 5 CFBDMO CCOCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551710 383643456 /nfs/dbraw/zinc/64/34/56/383643456.db2.gz URWDNCUBPAZXJE-AWEZNQCLSA-N 1 1 278.352 2.811 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCCCO)C2)cc1 ZINC000451550902 383643999 /nfs/dbraw/zinc/64/39/99/383643999.db2.gz SWIDGQQYBDEGCI-OAHLLOKOSA-N 1 1 292.379 2.937 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000489923045 383644080 /nfs/dbraw/zinc/64/40/80/383644080.db2.gz NEEWXSYCWYCWAK-SECBINFHSA-N 1 1 292.726 2.872 20 5 CFBDMO CC1=CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000436268612 383796962 /nfs/dbraw/zinc/79/69/62/383796962.db2.gz HROMGIFCWMOQFD-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO C[NH+](C)CC(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000453597805 383867305 /nfs/dbraw/zinc/86/73/05/383867305.db2.gz MYNWQIMRMRSIAI-CLFYSBASSA-N 1 1 277.368 2.538 20 5 CFBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000438334598 383985045 /nfs/dbraw/zinc/98/50/45/383985045.db2.gz MAJXFSABONEWND-ZQMJAJRESA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532424 384043826 /nfs/dbraw/zinc/04/38/26/384043826.db2.gz HIXLMQHYYJILIT-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532424 384043834 /nfs/dbraw/zinc/04/38/34/384043834.db2.gz HIXLMQHYYJILIT-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000532587788 384047750 /nfs/dbraw/zinc/04/77/50/384047750.db2.gz WTCALKTUOPNDEX-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000532587788 384047755 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CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564068 394032391 /nfs/dbraw/zinc/03/23/91/394032391.db2.gz HNPQVJPLKRCFCN-QWHCGFSZSA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564068 394032395 /nfs/dbraw/zinc/03/23/95/394032395.db2.gz HNPQVJPLKRCFCN-QWHCGFSZSA-N 1 1 279.384 2.974 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282347674 394124210 /nfs/dbraw/zinc/12/42/10/394124210.db2.gz PBSAVEYTQFONRQ-WFASDCNBSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H]1C[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000420968302 394143942 /nfs/dbraw/zinc/14/39/42/394143942.db2.gz VXUKWOPFYSTMKK-TZMCWYRMSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)CC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360090926 394145517 /nfs/dbraw/zinc/14/55/17/394145517.db2.gz RURYNKKLNBOCHP-LLVKDONJSA-N 1 1 281.331 2.573 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444593382 394145586 /nfs/dbraw/zinc/14/55/86/394145586.db2.gz IGBMYDHHDXULLJ-UHFFFAOYSA-N 1 1 262.313 2.559 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)CC23CCC3)cs1 ZINC000420996057 394151148 /nfs/dbraw/zinc/15/11/48/394151148.db2.gz QBUMDDAQZIFUER-NSHDSACASA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)CC23CCC3)cs1 ZINC000420996057 394151150 /nfs/dbraw/zinc/15/11/50/394151150.db2.gz QBUMDDAQZIFUER-NSHDSACASA-N 1 1 282.365 2.536 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747739 394199272 /nfs/dbraw/zinc/19/92/72/394199272.db2.gz GIZOUVONZHFMMI-GXFFZTMASA-N 1 1 286.335 2.526 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421366806 394204320 /nfs/dbraw/zinc/20/43/20/394204320.db2.gz VTJRGTJISFICHP-BVUKWYMNSA-N 1 1 290.363 2.558 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421397073 394220708 /nfs/dbraw/zinc/22/07/08/394220708.db2.gz LCYMFVYNLPSSBW-AWEZNQCLSA-N 1 1 292.379 2.888 20 5 CFBDMO Cc1n[nH]cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291817747 394265561 /nfs/dbraw/zinc/26/55/61/394265561.db2.gz YVRXBWHTZOZLDL-UHFFFAOYSA-N 1 1 274.324 2.651 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292635304 394276261 /nfs/dbraw/zinc/27/62/61/394276261.db2.gz AJXUQVVJCJITEE-INIZCTEOSA-N 1 1 289.379 2.825 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423372128 394279084 /nfs/dbraw/zinc/27/90/84/394279084.db2.gz GUICYSDYIZOIET-WCFLWFBJSA-N 1 1 263.341 2.515 20 5 CFBDMO Cc1oncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451103093 394357452 /nfs/dbraw/zinc/35/74/52/394357452.db2.gz MLTQNYNDHMJZQU-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO CC[C@]1(O)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495192515 394362378 /nfs/dbraw/zinc/36/23/78/394362378.db2.gz LGSKGJPTEUAGGE-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495192515 394362379 /nfs/dbraw/zinc/36/23/79/394362379.db2.gz LGSKGJPTEUAGGE-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178221759 394386754 /nfs/dbraw/zinc/38/67/54/394386754.db2.gz NMLPXLDDPGUTLM-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000453350370 394388933 /nfs/dbraw/zinc/38/89/33/394388933.db2.gz GIBGRBGXAXSHAS-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000544607674 394766559 /nfs/dbraw/zinc/76/65/59/394766559.db2.gz IGNKZXOPFNWBCD-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000545949878 394810433 /nfs/dbraw/zinc/81/04/33/394810433.db2.gz BVIQPIQDFFKLTR-MFOKFAIFSA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000548067128 394907666 /nfs/dbraw/zinc/90/76/66/394907666.db2.gz JKTZMPHLSNWYRI-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343250053 154154428 /nfs/dbraw/zinc/15/44/28/154154428.db2.gz LRYBBFLLPFRUMS-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367609387 156362513 /nfs/dbraw/zinc/36/25/13/156362513.db2.gz WNDYUFWTALNCPU-ZDUSSCGKSA-N 1 1 286.335 2.528 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000375801580 157285944 /nfs/dbraw/zinc/28/59/44/157285944.db2.gz LYOURIGMBOJKPL-HRCADAONSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000375801580 157285946 /nfs/dbraw/zinc/28/59/46/157285946.db2.gz LYOURIGMBOJKPL-HRCADAONSA-N 1 1 289.379 2.557 20 5 CFBDMO C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000344301409 162000832 /nfs/dbraw/zinc/00/08/32/162000832.db2.gz KFQOIYVWYQALEB-YGRLFVJLSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000344301409 162000834 /nfs/dbraw/zinc/00/08/34/162000834.db2.gz KFQOIYVWYQALEB-YGRLFVJLSA-N 1 1 297.786 2.821 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344436222 162043812 /nfs/dbraw/zinc/04/38/12/162043812.db2.gz PVMAXXHKYPMNHE-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165544 162191538 /nfs/dbraw/zinc/19/15/38/162191538.db2.gz ATNVXTGSIUWLLD-GHMZBOCLSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1[N+](=O)[O-] ZINC000346582983 162455240 /nfs/dbraw/zinc/45/52/40/162455240.db2.gz VFHMFVQDJSUBIQ-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765463 163190753 /nfs/dbraw/zinc/19/07/53/163190753.db2.gz BMFUCFAYJHXNDG-GXFFZTMASA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1ccccc1)CC2 ZINC000353026651 163289551 /nfs/dbraw/zinc/28/95/51/163289551.db2.gz AIKIQGMQESMVLE-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO Cn1ccnc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353040945 163294910 /nfs/dbraw/zinc/29/49/10/163294910.db2.gz WFJMYBUHUVQSPB-CQSZACIVSA-N 1 1 286.335 2.569 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038088196 174100630 /nfs/dbraw/zinc/10/06/30/174100630.db2.gz CSPJRTPPDMGKDS-NEPJUHHUSA-N 1 1 265.357 2.504 20 5 CFBDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000077320818 177252274 /nfs/dbraw/zinc/25/22/74/177252274.db2.gz CPSMEELFRGEQQH-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000077320818 177252276 /nfs/dbraw/zinc/25/22/76/177252276.db2.gz CPSMEELFRGEQQH-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000222683371 270254799 /nfs/dbraw/zinc/25/47/99/270254799.db2.gz GIFVZAXMEHMKFA-KGLIPLIRSA-N 1 1 261.325 2.634 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCCC[C@H]1O)C2 ZINC000518192453 260352735 /nfs/dbraw/zinc/35/27/35/260352735.db2.gz KAUCHTFIKSSFDE-XJKSGUPXSA-N 1 1 290.363 2.504 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227496717 270257177 /nfs/dbraw/zinc/25/71/77/270257177.db2.gz SGXFZHIHIFXEAL-WCQYABFASA-N 1 1 263.341 2.798 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285321371 274083728 /nfs/dbraw/zinc/08/37/28/274083728.db2.gz IYMXYLLIMCUNTR-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209186 274353894 /nfs/dbraw/zinc/35/38/94/274353894.db2.gz OYMJQWIXPDFCQQ-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296077183 274356072 /nfs/dbraw/zinc/35/60/72/274356072.db2.gz QGIIWISHUWAOEI-CYBMUJFWSA-N 1 1 289.379 2.511 20 5 CFBDMO Cc1cccc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC000128044235 274794260 /nfs/dbraw/zinc/79/42/60/274794260.db2.gz UMALFZRVKUCDKI-UHFFFAOYSA-N 1 1 269.304 2.861 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1cccc(C)c1[N+](=O)[O-])C2 ZINC000302666527 274823377 /nfs/dbraw/zinc/82/33/77/274823377.db2.gz MSYQINWQVDIHAP-GFCCVEGCSA-N 1 1 286.335 2.835 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1C=CCCC1)CCO2 ZINC000352622310 275037743 /nfs/dbraw/zinc/03/77/43/275037743.db2.gz ZUWDZRUATUCEGC-CYBMUJFWSA-N 1 1 274.320 2.898 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C=CCCC1)CCO2 ZINC000352622310 275037744 /nfs/dbraw/zinc/03/77/44/275037744.db2.gz ZUWDZRUATUCEGC-CYBMUJFWSA-N 1 1 274.320 2.898 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132113837 276052636 /nfs/dbraw/zinc/05/26/36/276052636.db2.gz CANPSVPJJIBNLU-ZDUSSCGKSA-N 1 1 278.352 2.939 20 5 CFBDMO CC[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352699870 276196669 /nfs/dbraw/zinc/19/66/69/276196669.db2.gz SOBRTJFJXVRFSW-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CC[N@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877438 276348973 /nfs/dbraw/zinc/34/89/73/276348973.db2.gz PQTOHXDCOVFYFH-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877438 276348974 /nfs/dbraw/zinc/34/89/74/276348974.db2.gz PQTOHXDCOVFYFH-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CCn1nccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291650200 276725787 /nfs/dbraw/zinc/72/57/87/276725787.db2.gz COFCPIHYPIRBPB-UHFFFAOYSA-N 1 1 288.351 2.836 20 5 CFBDMO C[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000492378927 277108616 /nfs/dbraw/zinc/10/86/16/277108616.db2.gz VCTSOZCNEVDPIC-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000364302343 277178276 /nfs/dbraw/zinc/17/82/76/277178276.db2.gz IKBVQKKDACGSPH-HZMBPMFUSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272172245 277178412 /nfs/dbraw/zinc/17/84/12/277178412.db2.gz IGOWSNUECMCUQL-HZMBPMFUSA-N 1 1 295.770 2.779 20 5 CFBDMO C[NH2+]Cc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000414504589 277288299 /nfs/dbraw/zinc/28/82/99/277288299.db2.gz SNZZPHLNSFZYBS-UHFFFAOYSA-N 1 1 290.323 2.662 20 5 CFBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266564318 277389507 /nfs/dbraw/zinc/38/95/07/277389507.db2.gz ZCNXVFKUZNSZGK-RYUDHWBXSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(CF)CF ZINC000449379469 278236616 /nfs/dbraw/zinc/23/66/16/278236616.db2.gz IJJTTWRNFWBMDC-JTQLQIEISA-N 1 1 272.295 2.813 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[N@@H+](C)C1CC1 ZINC000186788556 278310637 /nfs/dbraw/zinc/31/06/37/278310637.db2.gz XGYOAVDMBDXUEA-GFCCVEGCSA-N 1 1 277.368 2.682 20 5 CFBDMO C[C@@H](NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000042314691 278347170 /nfs/dbraw/zinc/34/71/70/278347170.db2.gz IBWPNARKVNPMRE-CYBMUJFWSA-N 1 1 277.368 2.731 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC12CCCCC2 ZINC000371157997 279384594 /nfs/dbraw/zinc/38/45/94/279384594.db2.gz ZCZPKSXONKTMLP-UHFFFAOYSA-N 1 1 278.356 2.627 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000287730243 280372791 /nfs/dbraw/zinc/37/27/91/280372791.db2.gz GFAIFBBOPLCGPF-JTQLQIEISA-N 1 1 290.298 2.841 20 5 CFBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292376343 288266820 /nfs/dbraw/zinc/26/68/20/288266820.db2.gz SIMMXPNOSLIZLK-ZDUSSCGKSA-N 1 1 289.379 2.905 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249541877 281062681 /nfs/dbraw/zinc/06/26/81/281062681.db2.gz FELNTLFELRUDSY-WBMJQRKESA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC000357887628 281181214 /nfs/dbraw/zinc/18/12/14/281181214.db2.gz JOARURPTKNETEM-UHFFFAOYSA-N 1 1 290.298 2.961 20 5 CFBDMO Cc1cc(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000396967865 281199037 /nfs/dbraw/zinc/19/90/37/281199037.db2.gz CZSHJJDJONDVPG-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000555682904 281919643 /nfs/dbraw/zinc/91/96/43/281919643.db2.gz GLDHKUZZFBKBSE-UWVGGRQHSA-N 1 1 250.298 2.586 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423372123 290008929 /nfs/dbraw/zinc/00/89/29/290008929.db2.gz GUICYSDYIZOIET-CYZMBNFOSA-N 1 1 263.341 2.515 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272172255 290159619 /nfs/dbraw/zinc/15/96/19/290159619.db2.gz IGOWSNUECMCUQL-YGRLFVJLSA-N 1 1 295.770 2.779 20 5 CFBDMO COc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000566534470 290397831 /nfs/dbraw/zinc/39/78/31/290397831.db2.gz CYFJNQITGBYJOT-SNVBAGLBSA-N 1 1 299.346 2.883 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000161472665 322351998 /nfs/dbraw/zinc/35/19/98/322351998.db2.gz IVEGSXUWAMVYSR-LBPRGKRZSA-N 1 1 277.368 2.648 20 5 CFBDMO COC[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189667286 324031704 /nfs/dbraw/zinc/03/17/04/324031704.db2.gz DGUWEGSUEPXAAU-GFCCVEGCSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@@H]1C[NH+](CCSc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000579259365 324936860 /nfs/dbraw/zinc/93/68/60/324936860.db2.gz SEYIPHGOZXQKES-VXGBXAGGSA-N 1 1 296.392 2.796 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261862 325106454 /nfs/dbraw/zinc/10/64/54/325106454.db2.gz TWNZHTORZYBHGN-AWEZNQCLSA-N 1 1 277.368 2.512 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261862 325106458 /nfs/dbraw/zinc/10/64/58/325106458.db2.gz TWNZHTORZYBHGN-AWEZNQCLSA-N 1 1 277.368 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)C ZINC000583563026 325296250 /nfs/dbraw/zinc/29/62/50/325296250.db2.gz YLCGSOSWQRFZEJ-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO Cc1c([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423221838 533956840 /nfs/dbraw/zinc/95/68/40/533956840.db2.gz YJRCWXQZIJTSAT-HZSPNIEDSA-N 1 1 291.395 2.942 20 5 CFBDMO CC[N@@H+](C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000054127817 520241128 /nfs/dbraw/zinc/24/11/28/520241128.db2.gz SZZSKBHYGYTYLV-UHFFFAOYSA-N 1 1 257.721 2.612 20 5 CFBDMO CCOc1cc(C[N@@H+](CC)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361588984 520696852 /nfs/dbraw/zinc/69/68/52/520696852.db2.gz NVLUNCYDTOEPLC-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156859089 521360908 /nfs/dbraw/zinc/36/09/08/521360908.db2.gz NCSKVHZOSFDYBE-ZDUSSCGKSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720608 /nfs/dbraw/zinc/72/06/08/521720608.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720614 /nfs/dbraw/zinc/72/06/14/521720614.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720616 /nfs/dbraw/zinc/72/06/16/521720616.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936203 522287392 /nfs/dbraw/zinc/28/73/92/522287392.db2.gz WIZWCFDERPNIIP-GHMZBOCLSA-N 1 1 280.372 2.727 20 5 CFBDMO COc1cc(C)nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000213660387 522290800 /nfs/dbraw/zinc/29/08/00/522290800.db2.gz VTSUIQVXZYFAOC-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340690259 523266075 /nfs/dbraw/zinc/26/60/75/523266075.db2.gz KLVWHNWLVOXOKO-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000339434091 523859262 /nfs/dbraw/zinc/85/92/62/523859262.db2.gz PQGLTAWLANNMMT-AWEZNQCLSA-N 1 1 295.408 2.574 20 5 CFBDMO Cc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000300420951 524700203 /nfs/dbraw/zinc/70/02/03/524700203.db2.gz ARJKSNAJKJEUCD-STQMWFEESA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000227890841 525274129 /nfs/dbraw/zinc/27/41/29/525274129.db2.gz MUKWHVUZGVFQSC-BDAKNGLRSA-N 1 1 285.294 2.768 20 5 CFBDMO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000158237814 525443010 /nfs/dbraw/zinc/44/30/10/525443010.db2.gz KBDCWSIVRVCAAZ-ZYHUDNBSSA-N 1 1 297.786 2.821 20 5 CFBDMO Cc1c([C@@H](C)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762181 525893959 /nfs/dbraw/zinc/89/39/59/525893959.db2.gz WUFGTLYVFAWVHG-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1c([C@@H](C)[NH2+]CCN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762181 525893965 /nfs/dbraw/zinc/89/39/65/525893965.db2.gz WUFGTLYVFAWVHG-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000166246980 525922043 /nfs/dbraw/zinc/92/20/43/525922043.db2.gz ZNEQDSOBUSWKJC-LRDDRELGSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC000360668067 526061007 /nfs/dbraw/zinc/06/10/07/526061007.db2.gz CYTKLOBIYWDPQP-QWHCGFSZSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C(C)C)C1CC1 ZINC000079076574 526079486 /nfs/dbraw/zinc/07/94/86/526079486.db2.gz MVLJHZVLCRYVML-UHFFFAOYSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@H](C)O ZINC000245522699 526090342 /nfs/dbraw/zinc/09/03/42/526090342.db2.gz LYZIVBWBHWZECW-RYUDHWBXSA-N 1 1 266.341 2.667 20 5 CFBDMO CC(C)(N)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808843 527256949 /nfs/dbraw/zinc/25/69/49/527256949.db2.gz UKBYYCGQQTWFRQ-TZMCWYRMSA-N 1 1 291.395 2.633 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1 ZINC000194272791 527329469 /nfs/dbraw/zinc/32/94/69/527329469.db2.gz YJZMTOYXCFAWAW-LLVKDONJSA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1 ZINC000194272791 527329472 /nfs/dbraw/zinc/32/94/72/527329472.db2.gz YJZMTOYXCFAWAW-LLVKDONJSA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cccnc1)CC2 ZINC000361827075 527378319 /nfs/dbraw/zinc/37/83/19/527378319.db2.gz BNWISTRTMBIWLR-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(CO)cc1)CC2 ZINC000305805498 527379167 /nfs/dbraw/zinc/37/91/67/527379167.db2.gz GAJXSWXPJIOEEV-UHFFFAOYSA-N 1 1 298.342 2.645 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(CO)cc1)CC2 ZINC000305805498 527379172 /nfs/dbraw/zinc/37/91/72/527379172.db2.gz GAJXSWXPJIOEEV-UHFFFAOYSA-N 1 1 298.342 2.645 20 5 CFBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000126364567 528767826 /nfs/dbraw/zinc/76/78/26/528767826.db2.gz JFDOUIPWCCZAKU-UHFFFAOYSA-N 1 1 282.340 2.842 20 5 CFBDMO CCC[C@@H]([NH2+][C@@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283826 529018944 /nfs/dbraw/zinc/01/89/44/529018944.db2.gz WJCLEXUBNHUYJE-CABCVRRESA-N 1 1 277.368 2.763 20 5 CFBDMO CC[N@@H+](CCNc1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000228765312 574111608 /nfs/dbraw/zinc/11/16/08/574111608.db2.gz OVUJSRXBBVIOKE-UHFFFAOYSA-N 1 1 263.341 2.799 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[Si](C)(C)C ZINC000731211684 574113520 /nfs/dbraw/zinc/11/35/20/574113520.db2.gz VHPXIYOEVHZBCL-UHFFFAOYSA-N 1 1 252.390 2.904 20 5 CFBDMO CCC[N@@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000750601928 574349026 /nfs/dbraw/zinc/34/90/26/574349026.db2.gz HAFMTUFMYNHGNA-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934481860 618052387 /nfs/dbraw/zinc/05/23/87/618052387.db2.gz MDASRTPXKUYWMS-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934481860 618052390 /nfs/dbraw/zinc/05/23/90/618052390.db2.gz MDASRTPXKUYWMS-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049480652 617605564 /nfs/dbraw/zinc/60/55/64/617605564.db2.gz ORTTZDGALNGYEN-UHFFFAOYSA-N 1 1 285.731 2.529 20 5 CFBDMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000049480611 617605694 /nfs/dbraw/zinc/60/56/94/617605694.db2.gz IOIGBYGCMHLQCK-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657975 617757206 /nfs/dbraw/zinc/75/72/06/617757206.db2.gz ZLMRACVIQDBIBV-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657975 617757209 /nfs/dbraw/zinc/75/72/09/617757209.db2.gz ZLMRACVIQDBIBV-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133431 617914350 /nfs/dbraw/zinc/91/43/50/617914350.db2.gz YWSUBSBSVCUMLK-QWHCGFSZSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133431 617914351 /nfs/dbraw/zinc/91/43/51/617914351.db2.gz YWSUBSBSVCUMLK-QWHCGFSZSA-N 1 1 284.743 2.857 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892066276 617934191 /nfs/dbraw/zinc/93/41/91/617934191.db2.gz TUYKISXJSJGUBM-WDEREUQCSA-N 1 1 294.351 2.787 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892221836 618010626 /nfs/dbraw/zinc/01/06/26/618010626.db2.gz HDBZOIBICIGWNO-SNVBAGLBSA-N 1 1 280.324 2.541 20 5 CFBDMO O=C1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC000160499499 618098424 /nfs/dbraw/zinc/09/84/24/618098424.db2.gz ICVPKNREBALKOF-UHFFFAOYSA-N 1 1 290.366 2.925 20 5 CFBDMO O=C1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC000160499499 618098426 /nfs/dbraw/zinc/09/84/26/618098426.db2.gz ICVPKNREBALKOF-UHFFFAOYSA-N 1 1 290.366 2.925 20 5 CFBDMO Cc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000061320427 618115639 /nfs/dbraw/zinc/11/56/39/618115639.db2.gz NVEYJQLWRHRJRB-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO CCCC[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891456671 618221679 /nfs/dbraw/zinc/22/16/79/618221679.db2.gz KDODOVWZPQOHJY-UHFFFAOYSA-N 1 1 282.340 2.931 20 5 CFBDMO CC1=NO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000895306350 618522405 /nfs/dbraw/zinc/52/24/05/618522405.db2.gz DQXGOHBJGNMCKR-NSHDSACASA-N 1 1 283.715 2.503 20 5 CFBDMO CC1=NO[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000895309856 618526345 /nfs/dbraw/zinc/52/63/45/618526345.db2.gz WAYQGWNJMOKUCT-NSHDSACASA-N 1 1 283.715 2.503 20 5 CFBDMO Cc1[nH+]ccn1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311662871 618718424 /nfs/dbraw/zinc/71/84/24/618718424.db2.gz WTPMIVWBPDMWNO-UHFFFAOYSA-N 1 1 280.715 2.865 20 5 CFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677234 619154099 /nfs/dbraw/zinc/15/40/99/619154099.db2.gz RCLAPXHPXVRWRF-JQWIXIFHSA-N 1 1 294.351 2.929 20 5 CFBDMO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000925839285 619172231 /nfs/dbraw/zinc/17/22/31/619172231.db2.gz BRDRFNGPHDBJHB-APHBMKBZSA-N 1 1 289.379 2.778 20 5 CFBDMO [NH3+]CC[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633678 619279625 /nfs/dbraw/zinc/27/96/25/619279625.db2.gz NXDUCHVQNYJEGX-NSHDSACASA-N 1 1 297.786 2.809 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895565577 619559380 /nfs/dbraw/zinc/55/93/80/619559380.db2.gz ACXHJOHBQFEFBV-GXSJLCMTSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895565577 619559382 /nfs/dbraw/zinc/55/93/82/619559382.db2.gz ACXHJOHBQFEFBV-GXSJLCMTSA-N 1 1 299.421 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000895739074 619593728 /nfs/dbraw/zinc/59/37/28/619593728.db2.gz AUGGPRBHLCQMGR-WCBMZHEXSA-N 1 1 292.364 2.709 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000895741050 619594139 /nfs/dbraw/zinc/59/41/39/619594139.db2.gz XMTZXNBUBLGQQF-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1ccc(NCCNc2sccc2[N+](=O)[O-])[nH+]c1 ZINC000896456112 619741619 /nfs/dbraw/zinc/74/16/19/619741619.db2.gz PFESKJFGFAKZQJ-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C)CC1 ZINC000896580415 619766086 /nfs/dbraw/zinc/76/60/86/619766086.db2.gz UFMVIMKAHNBQKI-LBPRGKRZSA-N 1 1 278.352 2.822 20 5 CFBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584987 619767633 /nfs/dbraw/zinc/76/76/33/619767633.db2.gz RHBZMXVTESKUEU-RYWCDNDXSA-N 1 1 276.336 2.719 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C/Cl ZINC000898435560 620464445 /nfs/dbraw/zinc/46/44/45/620464445.db2.gz JDEYCLQYIBYDEK-ZZXKWVIFSA-N 1 1 270.716 2.836 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000901519237 620855021 /nfs/dbraw/zinc/85/50/21/620855021.db2.gz BXFCULYKXFRFHH-LBPRGKRZSA-N 1 1 295.314 2.545 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C[NH3+] ZINC000904411585 621592852 /nfs/dbraw/zinc/59/28/52/621592852.db2.gz NTKRBWHJMUWSJR-MNOVXSKESA-N 1 1 297.786 2.665 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823179240 623253570 /nfs/dbraw/zinc/25/35/70/623253570.db2.gz JMEZNPBDZQRQRN-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000063002520 623312386 /nfs/dbraw/zinc/31/23/86/623312386.db2.gz RDGNZUSGLHLAKA-CQSZACIVSA-N 1 1 290.294 2.557 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388069 623346078 /nfs/dbraw/zinc/34/60/78/623346078.db2.gz IMYUSFVQJGUGGB-NWDGAFQWSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635571 623536780 /nfs/dbraw/zinc/53/67/80/623536780.db2.gz IGBQLNBTBVFSOH-WCQYABFASA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915209924 623998413 /nfs/dbraw/zinc/99/84/13/623998413.db2.gz WAIBTVQDFBKTPS-NSHDSACASA-N 1 1 276.340 2.878 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCF)[C@H]1CC[C@H](O)CC1 ZINC000828813292 624305461 /nfs/dbraw/zinc/30/54/61/624305461.db2.gz WXIDRAZYKLMVIN-HDJSIYSDSA-N 1 1 296.342 2.670 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCF)[C@H]1CC[C@H](O)CC1 ZINC000828813292 624305462 /nfs/dbraw/zinc/30/54/62/624305462.db2.gz WXIDRAZYKLMVIN-HDJSIYSDSA-N 1 1 296.342 2.670 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000917432300 624343451 /nfs/dbraw/zinc/34/34/51/624343451.db2.gz CDQHHAKPTHGRBR-AGIUHOORSA-N 1 1 278.356 2.649 20 5 CFBDMO C[N@H+]1CCC[C@H]1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000918150924 624423419 /nfs/dbraw/zinc/42/34/19/624423419.db2.gz DGMRFRVFLAULDJ-ZDUSSCGKSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCCCC1 ZINC000920091523 624674932 /nfs/dbraw/zinc/67/49/32/624674932.db2.gz CHJKVASNLBKCHK-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000831964939 625195281 /nfs/dbraw/zinc/19/52/81/625195281.db2.gz KJELSAZWIOGISR-CQSZACIVSA-N 1 1 295.358 2.650 20 5 CFBDMO CC[N@@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000069797320 625223214 /nfs/dbraw/zinc/22/32/14/625223214.db2.gz FVPLEGMGTRGBAM-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560838 626309005 /nfs/dbraw/zinc/30/90/05/626309005.db2.gz WNXIAQKQPUVEJA-SWLSCSKDSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560838 626309009 /nfs/dbraw/zinc/30/90/09/626309009.db2.gz WNXIAQKQPUVEJA-SWLSCSKDSA-N 1 1 291.395 2.900 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000839681125 626552137 /nfs/dbraw/zinc/55/21/37/626552137.db2.gz PRAPFYAEZMXEQL-HOCLYGCPSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919956 626701874 /nfs/dbraw/zinc/70/18/74/626701874.db2.gz AMHNYWISOYXDPC-IUODEOHRSA-N 1 1 292.379 2.996 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094541 626802407 /nfs/dbraw/zinc/80/24/07/626802407.db2.gz PMAIZWNUEPMWOJ-RISCZKNCSA-N 1 1 276.336 2.976 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094541 626802410 /nfs/dbraw/zinc/80/24/10/626802410.db2.gz PMAIZWNUEPMWOJ-RISCZKNCSA-N 1 1 276.336 2.976 20 5 CFBDMO COc1cc(CO[NH+]=C(N)CC(C)C)c([N+](=O)[O-])cc1F ZINC000766069971 627175578 /nfs/dbraw/zinc/17/55/78/627175578.db2.gz QOOXEQVIALEQJN-UHFFFAOYSA-N 1 1 299.302 2.787 20 5 CFBDMO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000767443011 627252568 /nfs/dbraw/zinc/25/25/68/627252568.db2.gz OIQKAWXPFUDAPZ-UHFFFAOYSA-N 1 1 288.347 2.928 20 5 CFBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000767443011 627252570 /nfs/dbraw/zinc/25/25/70/627252570.db2.gz OIQKAWXPFUDAPZ-UHFFFAOYSA-N 1 1 288.347 2.928 20 5 CFBDMO CC1(C)C[NH+](Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000767517217 627257296 /nfs/dbraw/zinc/25/72/96/627257296.db2.gz YDZLIXNRYYCSME-UHFFFAOYSA-N 1 1 266.345 2.507 20 5 CFBDMO CO[C@H]1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869956 634565560 /nfs/dbraw/zinc/56/55/60/634565560.db2.gz WOJDZTGCIGPNBA-OLZOCXBDSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770277 627370336 /nfs/dbraw/zinc/37/03/36/627370336.db2.gz HLBSRYVHICTYHN-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290218 627590716 /nfs/dbraw/zinc/59/07/16/627590716.db2.gz SUTWQZOALRVRLT-NXEZZACHSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290218 627590718 /nfs/dbraw/zinc/59/07/18/627590718.db2.gz SUTWQZOALRVRLT-NXEZZACHSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000771458301 627605777 /nfs/dbraw/zinc/60/57/77/627605777.db2.gz GIFFXRAZRFHUGW-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774535082 627935827 /nfs/dbraw/zinc/93/58/27/627935827.db2.gz YLFOEQRQLXDBFZ-AWEZNQCLSA-N 1 1 289.379 2.763 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000774534782 627935974 /nfs/dbraw/zinc/93/59/74/627935974.db2.gz SWMQSTQJOYLLON-DOMZBBRYSA-N 1 1 277.368 2.904 20 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/nfs/dbraw/zinc/16/15/51/628161551.db2.gz VAPFYVIVXAZYCE-HZPDHXFCSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957826 628267193 /nfs/dbraw/zinc/26/71/93/628267193.db2.gz WYVRWHCICDTILS-LBPRGKRZSA-N 1 1 286.335 2.758 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 ZINC000778954473 628341470 /nfs/dbraw/zinc/34/14/70/628341470.db2.gz WZOJUKLBZRPWKB-CHWSQXEVSA-N 1 1 277.368 2.600 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680287 628733945 /nfs/dbraw/zinc/73/39/45/628733945.db2.gz WAIYTQDHKBHYOG-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789557778 629166981 /nfs/dbraw/zinc/16/69/81/629166981.db2.gz MMDSMCRDZDIGGZ-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789763124 629186030 /nfs/dbraw/zinc/18/60/30/629186030.db2.gz DFPUXKKLIVRXLY-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000791052323 629283990 /nfs/dbraw/zinc/28/39/90/629283990.db2.gz MCIXOFIDELXYHK-DZGCQCFKSA-N 1 1 262.353 2.779 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000791053826 629284308 /nfs/dbraw/zinc/28/43/08/629284308.db2.gz QKHUDWCRSUWFOY-UHFFFAOYSA-N 1 1 288.269 2.947 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000791053826 629284312 /nfs/dbraw/zinc/28/43/12/629284312.db2.gz QKHUDWCRSUWFOY-UHFFFAOYSA-N 1 1 288.269 2.947 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000792928486 629467649 /nfs/dbraw/zinc/46/76/49/629467649.db2.gz UGWPPKJGDMIYNQ-AWEZNQCLSA-N 1 1 296.342 2.861 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000794703164 629676754 /nfs/dbraw/zinc/67/67/54/629676754.db2.gz AIFOBQXBASEJMF-GFCCVEGCSA-N 1 1 280.372 2.815 20 5 CFBDMO CC(C)(NCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000795219179 629747299 /nfs/dbraw/zinc/74/72/99/629747299.db2.gz JQGPCDRORMRGPD-UHFFFAOYSA-N 1 1 277.368 2.515 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000852533700 634773439 /nfs/dbraw/zinc/77/34/39/634773439.db2.gz XJIAJNSVLYIIEM-WFASDCNBSA-N 1 1 296.342 2.700 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797416430 630062933 /nfs/dbraw/zinc/06/29/33/630062933.db2.gz HZKQURKVCKQFIF-LLVKDONJSA-N 1 1 286.335 2.800 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000804504685 630688671 /nfs/dbraw/zinc/68/86/71/630688671.db2.gz QZPVVFIRVKOFRC-PWSUYJOCSA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCC2)c(C)c1[N+](=O)[O-] ZINC000102886087 631115821 /nfs/dbraw/zinc/11/58/21/631115821.db2.gz DYHXXRMMZFMLGT-CYBMUJFWSA-N 1 1 278.356 2.630 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000809688120 631263937 /nfs/dbraw/zinc/26/39/37/631263937.db2.gz BJVGHCLGYYWCNM-UHFFFAOYSA-N 1 1 260.293 2.862 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809692603 631264875 /nfs/dbraw/zinc/26/48/75/631264875.db2.gz BJDKQLQASKTDDJ-PHIMTYICSA-N 1 1 284.743 2.857 20 5 CFBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC(C)(C)C1 ZINC000840184681 631286965 /nfs/dbraw/zinc/28/69/65/631286965.db2.gz RXKUVFYOGVFGLZ-UHFFFAOYSA-N 1 1 266.345 2.568 20 5 CFBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC(C)(C)C1 ZINC000840184681 631286969 /nfs/dbraw/zinc/28/69/69/631286969.db2.gz RXKUVFYOGVFGLZ-UHFFFAOYSA-N 1 1 266.345 2.568 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000841693683 631454161 /nfs/dbraw/zinc/45/41/61/631454161.db2.gz VGNIJACHAVJQHN-IJLUTSLNSA-N 1 1 288.351 2.878 20 5 CFBDMO NC(CC1CC1)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842649592 631691999 /nfs/dbraw/zinc/69/19/99/631691999.db2.gz OSJHVIZFMXJQNP-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000815162061 632220894 /nfs/dbraw/zinc/22/08/94/632220894.db2.gz CBTMVOSHVNJDKR-RKDXNWHRSA-N 1 1 261.281 2.576 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000815162061 632220897 /nfs/dbraw/zinc/22/08/97/632220897.db2.gz CBTMVOSHVNJDKR-RKDXNWHRSA-N 1 1 261.281 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000816667554 632510258 /nfs/dbraw/zinc/51/02/58/632510258.db2.gz PSYFXPBNEJCDMA-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000816667554 632510261 /nfs/dbraw/zinc/51/02/61/632510261.db2.gz PSYFXPBNEJCDMA-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000817370253 632615674 /nfs/dbraw/zinc/61/56/74/632615674.db2.gz ITYWHEWKAZXPFO-CYBMUJFWSA-N 1 1 278.356 2.569 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111342 632634378 /nfs/dbraw/zinc/63/43/78/632634378.db2.gz LRRLJYHXYCTKOL-OIWRZFCRSA-N 1 1 280.274 2.805 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111342 632634387 /nfs/dbraw/zinc/63/43/87/632634387.db2.gz LRRLJYHXYCTKOL-OIWRZFCRSA-N 1 1 280.274 2.805 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850368840 633958596 /nfs/dbraw/zinc/95/85/96/633958596.db2.gz FISYXUBYCKAOHA-HOCLYGCPSA-N 1 1 284.315 2.863 20 5 CFBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853731786 635087767 /nfs/dbraw/zinc/08/77/67/635087767.db2.gz RCXVVTQYPSCZPI-XPUUQOCRSA-N 1 1 285.250 2.527 20 5 CFBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512230 636017814 /nfs/dbraw/zinc/01/78/14/636017814.db2.gz MHAHSKNSWUTBFS-OCCSQVGLSA-N 1 1 286.335 2.627 20 5 CFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862386975 637348936 /nfs/dbraw/zinc/34/89/36/637348936.db2.gz FPUZRHNKMYEWRI-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO CC[NH2+][C@H](C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000863663925 637735318 /nfs/dbraw/zinc/73/53/18/637735318.db2.gz NCRHJFYUOIPMNO-SNVBAGLBSA-N 1 1 290.323 2.548 20 5 CFBDMO Cc1ccc(CO[C@H](C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000865362414 638283887 /nfs/dbraw/zinc/28/38/87/638283887.db2.gz UTORIUFBLVYHDH-LLVKDONJSA-N 1 1 275.308 2.774 20 5 CFBDMO CCc1[nH+]c(C)cn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000865392683 638304105 /nfs/dbraw/zinc/30/41/05/638304105.db2.gz OHLHQLRTOLZQPF-UHFFFAOYSA-N 1 1 263.272 2.850 20 5 CFBDMO C[C@@H]1COCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865640111 638481587 /nfs/dbraw/zinc/48/15/87/638481587.db2.gz WSIKUUWBXFEMSL-NSHDSACASA-N 1 1 287.319 2.616 20 5 CFBDMO Cc1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)ncc1[N+](=O)[O-] ZINC000866194823 638767093 /nfs/dbraw/zinc/76/70/93/638767093.db2.gz KKCPFMVEYDZPKV-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000866194823 638767095 /nfs/dbraw/zinc/76/70/95/638767095.db2.gz KKCPFMVEYDZPKV-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040656 641574185 /nfs/dbraw/zinc/57/41/85/641574185.db2.gz MOWOPKYTHPAUAO-SNVBAGLBSA-N 1 1 277.299 2.923 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780609 641935098 /nfs/dbraw/zinc/93/50/98/641935098.db2.gz MNDANOIGBSILOG-OLZOCXBDSA-N 1 1 293.342 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@H+](C)C1CC1 ZINC000873046009 641994631 /nfs/dbraw/zinc/99/46/31/641994631.db2.gz NITVPACRMGGPPS-GFCCVEGCSA-N 1 1 291.395 2.784 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@@H+](C)C1CC1 ZINC000873046009 641994636 /nfs/dbraw/zinc/99/46/36/641994636.db2.gz NITVPACRMGGPPS-GFCCVEGCSA-N 1 1 291.395 2.784 20 5 CFBDMO CCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000873128998 642020754 /nfs/dbraw/zinc/02/07/54/642020754.db2.gz DALDLWTZWPLUIH-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO CC(C)C[N@@H+](Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000124539157 642214670 /nfs/dbraw/zinc/21/46/70/642214670.db2.gz GBHFYBNSWIITAT-UHFFFAOYSA-N 1 1 268.361 2.753 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726014 642984810 /nfs/dbraw/zinc/98/48/10/642984810.db2.gz SVKJQSZQNBTXQQ-ZDUSSCGKSA-N 1 1 278.352 2.680 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530707 643334083 /nfs/dbraw/zinc/33/40/83/643334083.db2.gz GDNMGPINBGDDIB-SWLSCSKDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530707 643334088 /nfs/dbraw/zinc/33/40/88/643334088.db2.gz GDNMGPINBGDDIB-SWLSCSKDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530707 643334093 /nfs/dbraw/zinc/33/40/93/643334093.db2.gz GDNMGPINBGDDIB-SWLSCSKDSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000877738960 643502693 /nfs/dbraw/zinc/50/26/93/643502693.db2.gz QTZXREBBEPHCIE-ZIAGYGMSSA-N 1 1 292.404 2.822 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836022 643603903 /nfs/dbraw/zinc/60/39/03/643603903.db2.gz LEMOXPSOXVNXBT-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246912016 650888613 /nfs/dbraw/zinc/88/86/13/650888613.db2.gz NUKRYMJFYIYMQJ-QWRGUYRKSA-N 1 1 274.324 2.632 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247186997 650899754 /nfs/dbraw/zinc/89/97/54/650899754.db2.gz SJYOHVZHORUDHY-WDEREUQCSA-N 1 1 280.372 2.876 20 5 CFBDMO Cc1c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000880132062 644543993 /nfs/dbraw/zinc/54/39/93/644543993.db2.gz MZRYENAEDFGYHO-JKSUJKDBSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132062 644544003 /nfs/dbraw/zinc/54/40/03/644544003.db2.gz MZRYENAEDFGYHO-JKSUJKDBSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132062 644544010 /nfs/dbraw/zinc/54/40/10/644544010.db2.gz MZRYENAEDFGYHO-JKSUJKDBSA-N 1 1 289.379 2.572 20 5 CFBDMO COCC1([N@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000880186833 644569257 /nfs/dbraw/zinc/56/92/57/644569257.db2.gz RIUDFWJZMZMXSL-UHFFFAOYSA-N 1 1 270.354 2.657 20 5 CFBDMO COCC1([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000880186833 644569260 /nfs/dbraw/zinc/56/92/60/644569260.db2.gz RIUDFWJZMZMXSL-UHFFFAOYSA-N 1 1 270.354 2.657 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CF)C1 ZINC000880291164 644630811 /nfs/dbraw/zinc/63/08/11/644630811.db2.gz CIJTUSNROXOOAN-GHMZBOCLSA-N 1 1 252.289 2.947 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CF)C1 ZINC000880294043 644633245 /nfs/dbraw/zinc/63/32/45/644633245.db2.gz QTLBPSAFZXAEPP-QWRGUYRKSA-N 1 1 252.289 2.947 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880299399 644639631 /nfs/dbraw/zinc/63/96/31/644639631.db2.gz SERHGOVIPOLRMS-GFCCVEGCSA-N 1 1 282.315 2.785 20 5 CFBDMO C[NH+](C)CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774602 650963243 /nfs/dbraw/zinc/96/32/43/650963243.db2.gz DLSVRMJDKJJJCV-UHFFFAOYSA-N 1 1 295.358 2.508 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882082960 645194638 /nfs/dbraw/zinc/19/46/38/645194638.db2.gz VMHOAFYLGFAYQQ-NSHDSACASA-N 1 1 296.346 2.519 20 5 CFBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882082959 645195022 /nfs/dbraw/zinc/19/50/22/645195022.db2.gz VMHOAFYLGFAYQQ-LLVKDONJSA-N 1 1 296.346 2.519 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130787132 645570389 /nfs/dbraw/zinc/57/03/89/645570389.db2.gz ILIVNWQHJIYPDE-AAEUAGOBSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000883400092 645796105 /nfs/dbraw/zinc/79/61/05/645796105.db2.gz DEPSZFKYCOONJJ-JGVFFNPUSA-N 1 1 276.258 2.908 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118184 651050090 /nfs/dbraw/zinc/05/00/90/651050090.db2.gz GEGLIJJYHRMNRX-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118184 651050093 /nfs/dbraw/zinc/05/00/93/651050093.db2.gz GEGLIJJYHRMNRX-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133874 646888896 /nfs/dbraw/zinc/88/88/96/646888896.db2.gz CZUNODJYDGRYPA-LLVKDONJSA-N 1 1 263.341 2.858 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000886296870 646957526 /nfs/dbraw/zinc/95/75/26/646957526.db2.gz CKKPWKNHIMTHCP-AOOOYVTPSA-N 1 1 285.294 2.713 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000886296870 646957530 /nfs/dbraw/zinc/95/75/30/646957530.db2.gz CKKPWKNHIMTHCP-AOOOYVTPSA-N 1 1 285.294 2.713 20 5 CFBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886302805 646960006 /nfs/dbraw/zinc/96/00/06/646960006.db2.gz WVSYVMSWOSIFDA-JSGCOSHPSA-N 1 1 261.325 2.754 20 5 CFBDMO C[N@@H+](CCCF)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000887137577 647226068 /nfs/dbraw/zinc/22/60/68/647226068.db2.gz MTTYTCJWKMAVEL-UHFFFAOYSA-N 1 1 270.304 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925310690 648154954 /nfs/dbraw/zinc/15/49/54/648154954.db2.gz OQKYUBXYTXSCGK-ZBFHGGJFSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925310690 648154960 /nfs/dbraw/zinc/15/49/60/648154960.db2.gz OQKYUBXYTXSCGK-ZBFHGGJFSA-N 1 1 289.379 2.701 20 5 CFBDMO C[C@H]1NCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630112 648249680 /nfs/dbraw/zinc/24/96/80/648249680.db2.gz QYEAFGTWERAORU-MFKMUULPSA-N 1 1 297.786 2.521 20 5 CFBDMO C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925675227 648274053 /nfs/dbraw/zinc/27/40/53/648274053.db2.gz MKNFFIOTRSWFKC-BPNCWPANSA-N 1 1 275.352 2.515 20 5 CFBDMO CCOc1ccc(C[N@@H+](CC[N+](=O)[O-])C(C)C)cc1 ZINC000929394058 649044203 /nfs/dbraw/zinc/04/42/03/649044203.db2.gz PSVXJYQSMDZGTN-UHFFFAOYSA-N 1 1 266.341 2.572 20 5 CFBDMO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929400605 649044881 /nfs/dbraw/zinc/04/48/81/649044881.db2.gz DCPUGKISEBNQEJ-UHFFFAOYSA-N 1 1 254.305 2.560 20 5 CFBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929400605 649044883 /nfs/dbraw/zinc/04/48/83/649044883.db2.gz DCPUGKISEBNQEJ-UHFFFAOYSA-N 1 1 254.305 2.560 20 5 CFBDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723586 649107133 /nfs/dbraw/zinc/10/71/33/649107133.db2.gz LPSOVKUQKVIZFU-CABCVRRESA-N 1 1 262.353 2.840 20 5 CFBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000929760271 649114387 /nfs/dbraw/zinc/11/43/87/649114387.db2.gz QRQIFFZFEHSSAB-CMPLNLGQSA-N 1 1 252.314 2.638 20 5 CFBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC[N+](=O)[O-])o1 ZINC000929760271 649114392 /nfs/dbraw/zinc/11/43/92/649114392.db2.gz QRQIFFZFEHSSAB-CMPLNLGQSA-N 1 1 252.314 2.638 20 5 CFBDMO Cc1cc(C)cc(C2=CC[N@H+](CC[N+](=O)[O-])CC2)c1 ZINC000930166037 649196463 /nfs/dbraw/zinc/19/64/63/649196463.db2.gz JHCDTXKCKBZZPM-UHFFFAOYSA-N 1 1 260.337 2.669 20 5 CFBDMO Cc1cc(C)cc(C2=CC[N@@H+](CC[N+](=O)[O-])CC2)c1 ZINC000930166037 649196464 /nfs/dbraw/zinc/19/64/64/649196464.db2.gz JHCDTXKCKBZZPM-UHFFFAOYSA-N 1 1 260.337 2.669 20 5 CFBDMO CCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000930233478 649211217 /nfs/dbraw/zinc/21/12/17/649211217.db2.gz RAJSJORLHGNZQC-GFCCVEGCSA-N 1 1 258.268 2.672 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000930284806 649221761 /nfs/dbraw/zinc/22/17/61/649221761.db2.gz DTQACQXASBVPIO-UHFFFAOYSA-N 1 1 266.728 2.706 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000930284806 649221764 /nfs/dbraw/zinc/22/17/64/649221764.db2.gz DTQACQXASBVPIO-UHFFFAOYSA-N 1 1 266.728 2.706 20 5 CFBDMO O=[N+]([O-])CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000930310450 649227660 /nfs/dbraw/zinc/22/76/60/649227660.db2.gz ZAPSAMBELHUUHI-UHFFFAOYSA-N 1 1 286.734 2.877 20 5 CFBDMO C[N@@H+](CCc1ccns1)CCc1cccc([N+](=O)[O-])c1 ZINC000930352633 649236572 /nfs/dbraw/zinc/23/65/72/649236572.db2.gz BECICWPBZOWBGF-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931728642 649481116 /nfs/dbraw/zinc/48/11/16/649481116.db2.gz XSJIQPNDZHUMEI-XPKDYRNWSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc(C[N@H+]2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334214 649578787 /nfs/dbraw/zinc/57/87/87/649578787.db2.gz AHSXMLPVKKSYSP-GFCCVEGCSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cncs1 ZINC000934197476 649759017 /nfs/dbraw/zinc/75/90/17/649759017.db2.gz DMDGKTOTLLKKJP-SSDOTTSWSA-N 1 1 269.351 2.964 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1-n1c[nH+]c2cccc(N)c21 ZINC001211288898 770476937 /nfs/dbraw/zinc/47/69/37/770476937.db2.gz CHCCOSLUNNBLOM-UHFFFAOYSA-N 1 1 268.276 2.824 20 5 CFBDMO Cc1cnc(CO[C@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001224185741 775122659 /nfs/dbraw/zinc/12/26/59/775122659.db2.gz NIIFTVDHSBKNHN-ZDUSSCGKSA-N 1 1 293.367 2.606 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCCc1ccc([N+](=O)[O-])cc1)C2 ZINC001224331827 775159769 /nfs/dbraw/zinc/15/97/69/775159769.db2.gz SPKFCPMDWFQRCJ-MUJYYYPQSA-N 1 1 290.363 2.779 20 5 CFBDMO CC(C)(C)[NH+]1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225494058 775480395 /nfs/dbraw/zinc/48/03/95/775480395.db2.gz KVPLYIVHNBWFDF-UHFFFAOYSA-N 1 1 294.351 2.942 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001225913579 775632329 /nfs/dbraw/zinc/63/23/29/775632329.db2.gz WGTTZVXXUVUFQH-PEGIJTEDSA-N 1 1 280.299 2.738 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942620 775642465 /nfs/dbraw/zinc/64/24/65/775642465.db2.gz RRZAQKXMUPPQQB-LBPRGKRZSA-N 1 1 282.315 2.986 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006243 775664697 /nfs/dbraw/zinc/66/46/97/775664697.db2.gz AUBGUTGFCCZKLX-SNVBAGLBSA-N 1 1 268.288 2.595 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257470 775759012 /nfs/dbraw/zinc/75/90/12/775759012.db2.gz FLUNNTMOQRITJD-JTQLQIEISA-N 1 1 285.731 2.506 20 5 CFBDMO CC[NH+]1CC(Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226510086 775853410 /nfs/dbraw/zinc/85/34/10/775853410.db2.gz XHQBZXJQKQMKCG-UHFFFAOYSA-N 1 1 272.304 2.831 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1 ZINC001226763718 775953150 /nfs/dbraw/zinc/95/31/50/775953150.db2.gz AETVTPXJGIUFNP-JJLQDPRZSA-N 1 1 276.336 2.704 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227184370 776127170 /nfs/dbraw/zinc/12/71/70/776127170.db2.gz DSSWEDKLJVROQD-PTEHBNRSSA-N 1 1 292.335 2.607 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233712 776148559 /nfs/dbraw/zinc/14/85/59/776148559.db2.gz FLAJTGQSERSNLB-LLVKDONJSA-N 1 1 291.307 2.598 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014009 776363027 /nfs/dbraw/zinc/36/30/27/776363027.db2.gz CTOLUJIXHZGKEJ-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1cc([N+](=O)[O-])cc(NCc2ccc(N)[nH+]c2C)c1F ZINC001167786955 776404102 /nfs/dbraw/zinc/40/41/02/776404102.db2.gz LXEPJKFZCHQFLQ-UHFFFAOYSA-N 1 1 290.298 2.940 20 5 CFBDMO Cc1cc(C)c(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001228229186 776427593 /nfs/dbraw/zinc/42/75/93/776427593.db2.gz FNLDGAJRTGJCBH-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256468 776435902 /nfs/dbraw/zinc/43/59/02/776435902.db2.gz XHXAFJNIBNFQBO-LLVKDONJSA-N 1 1 270.716 2.721 20 5 CFBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](CC)C1 ZINC001229176650 776743579 /nfs/dbraw/zinc/74/35/79/776743579.db2.gz AUWNGDBARYIYHL-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001229198790 776749265 /nfs/dbraw/zinc/74/92/65/776749265.db2.gz QEXSYHJUMFNOAZ-LLVKDONJSA-N 1 1 268.288 2.515 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)CC1 ZINC001229197059 776749748 /nfs/dbraw/zinc/74/97/48/776749748.db2.gz ADEWQOUPNXEECI-LBPRGKRZSA-N 1 1 282.315 2.905 20 5 CFBDMO Cc1cc(O[C@H]2CCc3[nH+]ccn3C2)cc(C)c1[N+](=O)[O-] ZINC001229470908 776821237 /nfs/dbraw/zinc/82/12/37/776821237.db2.gz VMOMQWMVFHIZJC-LBPRGKRZSA-N 1 1 287.319 2.802 20 5 CFBDMO Cc1cc(O)c(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755693 776889052 /nfs/dbraw/zinc/88/90/52/776889052.db2.gz ZMLBQNSNADDBOF-LBPRGKRZSA-N 1 1 294.351 2.860 20 5 CFBDMO Cc1cc(O)c(O[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755693 776889059 /nfs/dbraw/zinc/88/90/59/776889059.db2.gz ZMLBQNSNADDBOF-LBPRGKRZSA-N 1 1 294.351 2.860 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC001229896089 776914152 /nfs/dbraw/zinc/91/41/52/776914152.db2.gz YYVNXPVXSCWOAZ-NSHDSACASA-N 1 1 282.315 2.904 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040927 776947901 /nfs/dbraw/zinc/94/79/01/776947901.db2.gz PRATXWNEGYEBOW-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040927 776947897 /nfs/dbraw/zinc/94/78/97/776947897.db2.gz PRATXWNEGYEBOW-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@@H+]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768305 777058793 /nfs/dbraw/zinc/05/87/93/777058793.db2.gz JMGQMDOWDRQZLT-QMMMGPOBSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768305 777058799 /nfs/dbraw/zinc/05/87/99/777058799.db2.gz JMGQMDOWDRQZLT-QMMMGPOBSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C2 ZINC001230872435 777078726 /nfs/dbraw/zinc/07/87/26/777078726.db2.gz NHTRZJREUMHPGJ-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880180 777080458 /nfs/dbraw/zinc/08/04/58/777080458.db2.gz ZDVSUBXWYZIBOB-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698303 778044602 /nfs/dbraw/zinc/04/46/02/778044602.db2.gz ITEWHKBDJHAFKE-JTQLQIEISA-N 1 1 286.278 2.735 20 5 CFBDMO CC(C)[NH+]1CC(Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233836721 778092544 /nfs/dbraw/zinc/09/25/44/778092544.db2.gz SEYNSCCJLSBQOA-UHFFFAOYSA-N 1 1 287.319 2.614 20 5 CFBDMO CC[N@H+]1CC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027727 778398850 /nfs/dbraw/zinc/39/88/50/778398850.db2.gz XBBKBOJZZZXOPJ-SMDDNHRTSA-N 1 1 264.325 2.767 20 5 CFBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000691116685 779262265 /nfs/dbraw/zinc/26/22/65/779262265.db2.gz IYNREXAZSCJVFC-UHFFFAOYSA-N 1 1 284.331 2.574 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000700379466 780683625 /nfs/dbraw/zinc/68/36/25/780683625.db2.gz WPYANCQKMZRRPS-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000700379466 780683629 /nfs/dbraw/zinc/68/36/29/780683629.db2.gz WPYANCQKMZRRPS-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000700426670 780688842 /nfs/dbraw/zinc/68/88/42/780688842.db2.gz OATKVTSPEQDTFP-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000700426670 780688846 /nfs/dbraw/zinc/68/88/46/780688846.db2.gz OATKVTSPEQDTFP-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1Cl ZINC000700636531 780711518 /nfs/dbraw/zinc/71/15/18/780711518.db2.gz WRCBAMHLMFVOPG-RYUDHWBXSA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594503527 349433276 /nfs/dbraw/zinc/43/32/76/349433276.db2.gz XRCCUDBNGUIZFQ-JTQLQIEISA-N 1 1 272.308 2.544 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594614381 349464301 /nfs/dbraw/zinc/46/43/01/349464301.db2.gz GKPVKXLNIGUZGG-FSBNRTBOSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273066742 192035267 /nfs/dbraw/zinc/03/52/67/192035267.db2.gz YZJKZGBOCDQZQS-LLVKDONJSA-N 1 1 261.325 2.657 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125031835 187166595 /nfs/dbraw/zinc/16/65/95/187166595.db2.gz JTHFJOVAIKXESS-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125031835 187166596 /nfs/dbraw/zinc/16/65/96/187166596.db2.gz JTHFJOVAIKXESS-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595336551 349604768 /nfs/dbraw/zinc/60/47/68/349604768.db2.gz ZSZATROKOHKVHG-RKDXNWHRSA-N 1 1 253.302 2.512 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1COC(C)(C)C1 ZINC000595288288 349590865 /nfs/dbraw/zinc/59/08/65/349590865.db2.gz NCCHMEAIRHORIJ-GFCCVEGCSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1COC(C)(C)C1 ZINC000595288288 349590870 /nfs/dbraw/zinc/59/08/70/349590870.db2.gz NCCHMEAIRHORIJ-GFCCVEGCSA-N 1 1 264.325 2.594 20 5 CFBDMO CCC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595339901 349604992 /nfs/dbraw/zinc/60/49/92/349604992.db2.gz RBDCHPTZUFIEAI-NSHDSACASA-N 1 1 267.329 2.903 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000595391778 349615117 /nfs/dbraw/zinc/61/51/17/349615117.db2.gz AVOKOWBFMPSDGG-LLVKDONJSA-N 1 1 270.329 2.671 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595403792 349617002 /nfs/dbraw/zinc/61/70/02/349617002.db2.gz IJEUAHROGLFCOF-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409586 349617916 /nfs/dbraw/zinc/61/79/16/349617916.db2.gz XSQMYDFRJVCFHX-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000595428112 349623609 /nfs/dbraw/zinc/62/36/09/349623609.db2.gz LZRLGAZEIDJTPB-DOMZBBRYSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1noc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595440734 349626974 /nfs/dbraw/zinc/62/69/74/349626974.db2.gz GQGAVAFWZHNEKK-NEPJUHHUSA-N 1 1 297.355 2.575 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595441949 349627532 /nfs/dbraw/zinc/62/75/32/349627532.db2.gz OBRGGMRFKWJPGG-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO Cc1noc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595440735 349626650 /nfs/dbraw/zinc/62/66/50/349626650.db2.gz GQGAVAFWZHNEKK-NWDGAFQWSA-N 1 1 297.355 2.575 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449282 349629597 /nfs/dbraw/zinc/62/95/97/349629597.db2.gz OOTOOPSIHCXHBO-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449282 349629600 /nfs/dbraw/zinc/62/96/00/349629600.db2.gz OOTOOPSIHCXHBO-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458057 349632528 /nfs/dbraw/zinc/63/25/28/349632528.db2.gz HVNHAIVTQGTOTI-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458057 349632531 /nfs/dbraw/zinc/63/25/31/349632531.db2.gz HVNHAIVTQGTOTI-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595456782 349632564 /nfs/dbraw/zinc/63/25/64/349632564.db2.gz GFGWTOHOHCCTOT-KKZNHRDASA-N 1 1 267.329 2.758 20 5 CFBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595462498 349634614 /nfs/dbraw/zinc/63/46/14/349634614.db2.gz VTWCLBCFSDFIGY-CQSZACIVSA-N 1 1 297.355 2.672 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595463816 349634923 /nfs/dbraw/zinc/63/49/23/349634923.db2.gz AIEJUPGWBGCWLU-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470125 349636679 /nfs/dbraw/zinc/63/66/79/349636679.db2.gz MSMRFBQZBMRFOP-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470125 349636685 /nfs/dbraw/zinc/63/66/85/349636685.db2.gz MSMRFBQZBMRFOP-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000595485789 349640296 /nfs/dbraw/zinc/64/02/96/349640296.db2.gz XXPAQRMKJLSIOV-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000595485789 349640299 /nfs/dbraw/zinc/64/02/99/349640299.db2.gz XXPAQRMKJLSIOV-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1noc(C[NH+](C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000595511839 349647628 /nfs/dbraw/zinc/64/76/28/349647628.db2.gz RSSDWTMZPJUSBK-UHFFFAOYSA-N 1 1 265.313 2.798 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595494923 349642755 /nfs/dbraw/zinc/64/27/55/349642755.db2.gz DUNPHZYIKMHDOC-LLVKDONJSA-N 1 1 265.313 2.513 20 5 CFBDMO Cc1noc(C[NH+]2CCC(C3CC3)CC2)c1[N+](=O)[O-] ZINC000595502130 349643557 /nfs/dbraw/zinc/64/35/57/349643557.db2.gz PLWGQVUCFNRCKC-UHFFFAOYSA-N 1 1 265.313 2.513 20 5 CFBDMO Cc1noc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c1[N+](=O)[O-] ZINC000595510089 349646987 /nfs/dbraw/zinc/64/69/87/349646987.db2.gz JZJCLOHUGBLDOC-BDAKNGLRSA-N 1 1 290.323 2.507 20 5 CFBDMO CC[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536856 349653913 /nfs/dbraw/zinc/65/39/13/349653913.db2.gz VWROHTJSIZRTIA-GFCCVEGCSA-N 1 1 295.358 2.650 20 5 CFBDMO CC[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595537009 349654086 /nfs/dbraw/zinc/65/40/86/349654086.db2.gz ZUCNXMYYFNEFSL-CQSZACIVSA-N 1 1 291.395 2.553 20 5 CFBDMO CCN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595537009 349654088 /nfs/dbraw/zinc/65/40/88/349654088.db2.gz ZUCNXMYYFNEFSL-CQSZACIVSA-N 1 1 291.395 2.553 20 5 CFBDMO CCN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595537009 349654091 /nfs/dbraw/zinc/65/40/91/349654091.db2.gz ZUCNXMYYFNEFSL-CQSZACIVSA-N 1 1 291.395 2.553 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000595544526 349655663 /nfs/dbraw/zinc/65/56/63/349655663.db2.gz ASIBRNHQAKYCPC-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000595544526 349655667 /nfs/dbraw/zinc/65/56/67/349655667.db2.gz ASIBRNHQAKYCPC-ZDUSSCGKSA-N 1 1 294.326 2.613 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595593745 349667791 /nfs/dbraw/zinc/66/77/91/349667791.db2.gz UITIILZPYPYSPE-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673034 349695597 /nfs/dbraw/zinc/69/55/97/349695597.db2.gz JHYMVQQLLGQXEK-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595701179 349709444 /nfs/dbraw/zinc/70/94/44/349709444.db2.gz RAVDKSSEIXLWGK-GXTWGEPZSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595701180 349709681 /nfs/dbraw/zinc/70/96/81/349709681.db2.gz RAVDKSSEIXLWGK-JSGCOSHPSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704816 349711093 /nfs/dbraw/zinc/71/10/93/349711093.db2.gz WAEWALDVOFULDK-BBRMVZONSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829440 349744508 /nfs/dbraw/zinc/74/45/08/349744508.db2.gz HXIKMQXSDSFWEC-BNOWGMLFSA-N 1 1 276.336 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595830896 349745956 /nfs/dbraw/zinc/74/59/56/349745956.db2.gz MWRRSLMUNUHSPJ-RYUDHWBXSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756877 349725444 /nfs/dbraw/zinc/72/54/44/349725444.db2.gz HCPZQKALWOXYNU-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO CCOc1cc(C[N@H+]2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000595920808 349770072 /nfs/dbraw/zinc/77/00/72/349770072.db2.gz WWWAGABMMSPXDO-UHFFFAOYSA-N 1 1 276.336 2.978 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072597111 346931372 /nfs/dbraw/zinc/93/13/72/346931372.db2.gz NHCZRXTYETZTJC-GFCCVEGCSA-N 1 1 288.351 2.911 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072597111 346931375 /nfs/dbraw/zinc/93/13/75/346931375.db2.gz NHCZRXTYETZTJC-GFCCVEGCSA-N 1 1 288.351 2.911 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000072858564 346943674 /nfs/dbraw/zinc/94/36/74/346943674.db2.gz TUQDBZWNHYKNDL-UONOGXRCSA-N 1 1 291.395 2.929 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295018411 199301654 /nfs/dbraw/zinc/30/16/54/199301654.db2.gz KIXRDWORONILJV-LLVKDONJSA-N 1 1 252.339 2.532 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000596306594 349857825 /nfs/dbraw/zinc/85/78/25/349857825.db2.gz HALNTPWDWGHTRI-VIFPVBQESA-N 1 1 269.370 2.941 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000596306593 349857916 /nfs/dbraw/zinc/85/79/16/349857916.db2.gz HALNTPWDWGHTRI-SECBINFHSA-N 1 1 269.370 2.941 20 5 CFBDMO C[NH2+]C[C@@H](C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423275178 529986066 /nfs/dbraw/zinc/98/60/66/529986066.db2.gz MTRXLBSXCMWVIR-IAQYHMDHSA-N 1 1 291.395 2.762 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000097930778 232183375 /nfs/dbraw/zinc/18/33/75/232183375.db2.gz UIFXHHCEAYIHFJ-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO COC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618070 347088199 /nfs/dbraw/zinc/08/81/99/347088199.db2.gz FDJOONDHNWZTBY-NSHDSACASA-N 1 1 292.335 2.541 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)o2)cc1[N+](=O)[O-] ZINC000175059039 232304691 /nfs/dbraw/zinc/30/46/91/232304691.db2.gz NNGSSOMYNAPSDU-LLVKDONJSA-N 1 1 290.319 2.839 20 5 CFBDMO CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127519462 187313126 /nfs/dbraw/zinc/31/31/26/187313126.db2.gz WLYDAWHTSNUHJH-UHFFFAOYSA-N 1 1 288.351 2.837 20 5 CFBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558896 349941733 /nfs/dbraw/zinc/94/17/33/349941733.db2.gz UKUXJDRHXLVUHE-AWEZNQCLSA-N 1 1 298.346 2.676 20 5 CFBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570047 349943800 /nfs/dbraw/zinc/94/38/00/349943800.db2.gz HZXMYULENHOZFF-ZDUSSCGKSA-N 1 1 290.367 2.524 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000037404413 346329910 /nfs/dbraw/zinc/32/99/10/346329910.db2.gz YQQIAJVWIZJNKZ-JTQLQIEISA-N 1 1 279.315 2.630 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075721882 347095320 /nfs/dbraw/zinc/09/53/20/347095320.db2.gz ZVJHBVHKWJCEEM-JTQLQIEISA-N 1 1 290.298 2.841 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075721907 347095468 /nfs/dbraw/zinc/09/54/68/347095468.db2.gz SSTTUVMVOXOVOU-LLVKDONJSA-N 1 1 272.308 2.702 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596651240 349968948 /nfs/dbraw/zinc/96/89/48/349968948.db2.gz CUHJASVOWKFZOB-SMDDNHRTSA-N 1 1 265.357 2.619 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000053215927 346541076 /nfs/dbraw/zinc/54/10/76/346541076.db2.gz HAWCBBYMTUVBOM-UHFFFAOYSA-N 1 1 287.319 2.510 20 5 CFBDMO CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000080554437 347365494 /nfs/dbraw/zinc/36/54/94/347365494.db2.gz PGMWRJLUNAVIHV-UHFFFAOYSA-N 1 1 283.759 2.699 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080606258 347369644 /nfs/dbraw/zinc/36/96/44/347369644.db2.gz XONLDAUCRXTRLW-AWEZNQCLSA-N 1 1 289.379 2.763 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122863500 347816951 /nfs/dbraw/zinc/81/69/51/347816951.db2.gz POBSZOAHIJUSJP-NWDGAFQWSA-N 1 1 275.352 2.940 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132632352 347885767 /nfs/dbraw/zinc/88/57/67/347885767.db2.gz UYTXUZDHVXKGLT-NSHDSACASA-N 1 1 267.304 2.630 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000159303407 348012325 /nfs/dbraw/zinc/01/23/25/348012325.db2.gz MMVLJMPYEPJSHI-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000227649215 348189106 /nfs/dbraw/zinc/18/91/06/348189106.db2.gz DKGVKPOGNTULRN-SECBINFHSA-N 1 1 296.758 2.539 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC12CCC2 ZINC000255542048 348304087 /nfs/dbraw/zinc/30/40/87/348304087.db2.gz XHNQJHGZOYVRIR-UTCJRWHESA-N 1 1 288.347 2.863 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOCC12CCC2 ZINC000255542048 348304090 /nfs/dbraw/zinc/30/40/90/348304090.db2.gz XHNQJHGZOYVRIR-UTCJRWHESA-N 1 1 288.347 2.863 20 5 CFBDMO Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000266234534 348323846 /nfs/dbraw/zinc/32/38/46/348323846.db2.gz KEMIESIWGGBTJB-UHFFFAOYSA-N 1 1 272.308 2.656 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311618681 348413800 /nfs/dbraw/zinc/41/38/00/348413800.db2.gz RZHSXELTTVYASV-VIFPVBQESA-N 1 1 284.747 2.539 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000589496330 348836270 /nfs/dbraw/zinc/83/62/70/348836270.db2.gz OQIUZPKEVYBKPR-JTQLQIEISA-N 1 1 292.335 2.612 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496850 348836355 /nfs/dbraw/zinc/83/63/55/348836355.db2.gz QWFYCZQVBNTFDI-ZDUSSCGKSA-N 1 1 292.335 2.756 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590141891 348877968 /nfs/dbraw/zinc/87/79/68/348877968.db2.gz DMEDRWOAJWCSDC-CYBMUJFWSA-N 1 1 281.381 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@H]3CCCOC3)C2)cc1 ZINC000590757637 348943547 /nfs/dbraw/zinc/94/35/47/348943547.db2.gz WSTBJKZTAYLCBG-ZBFHGGJFSA-N 1 1 290.363 2.953 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000590598845 348913209 /nfs/dbraw/zinc/91/32/09/348913209.db2.gz CFNHZLSOOKLYPM-HNNXBMFYSA-N 1 1 283.331 2.979 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000590969013 348974645 /nfs/dbraw/zinc/97/46/45/348974645.db2.gz ZGONYARXNYQUDI-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000590970294 348974859 /nfs/dbraw/zinc/97/48/59/348974859.db2.gz IBIHHTLPXZSPFU-LSDHHAIUSA-N 1 1 288.347 2.596 20 5 CFBDMO C[N@@H+](CCC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592144926 349090157 /nfs/dbraw/zinc/09/01/57/349090157.db2.gz QENQKGOHXQOCDB-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCN(C)C1 ZINC000592520711 349131781 /nfs/dbraw/zinc/13/17/81/349131781.db2.gz PBHRLDZZJBYYSI-MRXNPFEDSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592520711 349131785 /nfs/dbraw/zinc/13/17/85/349131785.db2.gz PBHRLDZZJBYYSI-MRXNPFEDSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592520711 349131787 /nfs/dbraw/zinc/13/17/87/349131787.db2.gz PBHRLDZZJBYYSI-MRXNPFEDSA-N 1 1 291.395 2.819 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114475 349212035 /nfs/dbraw/zinc/21/20/35/349212035.db2.gz CDELGUJFVWFGHW-ZDUSSCGKSA-N 1 1 298.289 2.835 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114475 349212040 /nfs/dbraw/zinc/21/20/40/349212040.db2.gz CDELGUJFVWFGHW-ZDUSSCGKSA-N 1 1 298.289 2.835 20 5 CFBDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593056811 349196510 /nfs/dbraw/zinc/19/65/10/349196510.db2.gz PRRFMOAOBMNFSI-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593056811 349196523 /nfs/dbraw/zinc/19/65/23/349196523.db2.gz PRRFMOAOBMNFSI-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593063852 349199525 /nfs/dbraw/zinc/19/95/25/349199525.db2.gz PLKWTEWSTYPDEK-SWLSCSKDSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593091313 349206299 /nfs/dbraw/zinc/20/62/99/349206299.db2.gz FVPOBKVZTWCWOU-CYBMUJFWSA-N 1 1 290.363 2.781 20 5 CFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593674188 349308730 /nfs/dbraw/zinc/30/87/30/349308730.db2.gz PGYZZWLDUPMDRJ-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CC2CCCC2)n1 ZINC000594052816 349365056 /nfs/dbraw/zinc/36/50/56/349365056.db2.gz HNKMWXPWQGRFLL-AWEZNQCLSA-N 1 1 292.383 2.836 20 5 CFBDMO COc1ncccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495451 349430286 /nfs/dbraw/zinc/43/02/86/349430286.db2.gz YEGVHQGWBCUVBN-CQSZACIVSA-N 1 1 299.330 2.776 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000091479122 180166690 /nfs/dbraw/zinc/16/66/90/180166690.db2.gz OYQKMLBZTYUXEP-NSHDSACASA-N 1 1 251.330 2.737 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000091485411 180167195 /nfs/dbraw/zinc/16/71/95/180167195.db2.gz QVVQWWPFMFMRKN-ZYHUDNBSSA-N 1 1 261.325 2.632 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598649466 350302467 /nfs/dbraw/zinc/30/24/67/350302467.db2.gz XKBSCAXGZPWZBI-CYBMUJFWSA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598649466 350302472 /nfs/dbraw/zinc/30/24/72/350302472.db2.gz XKBSCAXGZPWZBI-CYBMUJFWSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000598932624 350347338 /nfs/dbraw/zinc/34/73/38/350347338.db2.gz OEDOHRFDGXIPGF-AWEZNQCLSA-N 1 1 286.335 2.528 20 5 CFBDMO C[N@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978465 350353494 /nfs/dbraw/zinc/35/34/94/350353494.db2.gz UHUHMTLPBGHLJH-CQSZACIVSA-N 1 1 291.395 2.600 20 5 CFBDMO CN1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978465 350353498 /nfs/dbraw/zinc/35/34/98/350353498.db2.gz UHUHMTLPBGHLJH-CQSZACIVSA-N 1 1 291.395 2.600 20 5 CFBDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070032 350370309 /nfs/dbraw/zinc/37/03/09/350370309.db2.gz JOZKRORIJBJQFN-KBPBESRZSA-N 1 1 291.395 2.977 20 5 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Cc1cccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000298311742 200392075 /nfs/dbraw/zinc/39/20/75/200392075.db2.gz QHTINJJIJFOVPI-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000177893031 189077023 /nfs/dbraw/zinc/07/70/23/189077023.db2.gz VFVHAUWHWBMWCL-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000178240459 189100013 /nfs/dbraw/zinc/10/00/13/189100013.db2.gz BHDOPSFACOPKTP-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO CC[N@@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178572230 189127724 /nfs/dbraw/zinc/12/77/24/189127724.db2.gz FDZJGCVCIGWPLU-AWEZNQCLSA-N 1 1 266.341 2.606 20 5 CFBDMO CN(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000179397365 189191088 /nfs/dbraw/zinc/19/10/88/189191088.db2.gz RZLRBKIPXDKCKK-CQSZACIVSA-N 1 1 277.368 2.511 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000423259003 238313979 /nfs/dbraw/zinc/31/39/79/238313979.db2.gz CVVVRWARNFLJRY-STQMWFEESA-N 1 1 279.384 2.927 20 5 CFBDMO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459606 189256371 /nfs/dbraw/zinc/25/63/71/189256371.db2.gz VAPZNHIMJWXMGR-OCCSQVGLSA-N 1 1 277.368 2.730 20 5 CFBDMO Cc1ccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301479002 201022777 /nfs/dbraw/zinc/02/27/77/201022777.db2.gz QSICMHNHINRCLZ-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1nc(N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301686757 201138416 /nfs/dbraw/zinc/13/84/16/201138416.db2.gz XFDPMWBBNLEIBJ-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183365864 189356522 /nfs/dbraw/zinc/35/65/22/189356522.db2.gz NRPIBLSHTWENOW-HIFRSBDPSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000183365864 189356523 /nfs/dbraw/zinc/35/65/23/189356523.db2.gz NRPIBLSHTWENOW-HIFRSBDPSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000183365864 189356524 /nfs/dbraw/zinc/35/65/24/189356524.db2.gz NRPIBLSHTWENOW-HIFRSBDPSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000183654232 189364898 /nfs/dbraw/zinc/36/48/98/189364898.db2.gz HYMLSLJLTWELST-HOCLYGCPSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccncc1 ZINC000183737294 189367350 /nfs/dbraw/zinc/36/73/50/189367350.db2.gz XLXCVHVXIICTGP-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccncc1 ZINC000183737294 189367351 /nfs/dbraw/zinc/36/73/51/189367351.db2.gz XLXCVHVXIICTGP-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655836 189419020 /nfs/dbraw/zinc/41/90/20/189419020.db2.gz KSPVCEZJGKSWRQ-CQDKDKBSSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000430200599 239725082 /nfs/dbraw/zinc/72/50/82/239725082.db2.gz ARXDVWZXPZSIJM-LBPRGKRZSA-N 1 1 282.365 2.541 20 5 CFBDMO CC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000432782835 240043360 /nfs/dbraw/zinc/04/33/60/240043360.db2.gz VWFZTTLYVMSVKM-LBPRGKRZSA-N 1 1 290.367 2.666 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433295976 240139548 /nfs/dbraw/zinc/13/95/48/240139548.db2.gz GMIODZUDFWVOJV-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO CC1(C)CCC[N@H+](CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC000444007222 241107850 /nfs/dbraw/zinc/10/78/50/241107850.db2.gz APBMIOFIYXUTOQ-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC000444007222 241107851 /nfs/dbraw/zinc/10/78/51/241107851.db2.gz APBMIOFIYXUTOQ-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000444011132 241109333 /nfs/dbraw/zinc/10/93/33/241109333.db2.gz RHTMOJMJEVMDNA-UHFFFAOYSA-N 1 1 297.424 2.868 20 5 CFBDMO CC1(C)CCCN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000444011132 241109339 /nfs/dbraw/zinc/10/93/39/241109339.db2.gz RHTMOJMJEVMDNA-UHFFFAOYSA-N 1 1 297.424 2.868 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444642045 241158250 /nfs/dbraw/zinc/15/82/50/241158250.db2.gz QHKQXDUUWVNEDW-JTQLQIEISA-N 1 1 274.324 2.703 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444653388 241161856 /nfs/dbraw/zinc/16/18/56/241161856.db2.gz WFOXILYFYKYDIN-AOOOYVTPSA-N 1 1 274.324 2.559 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000444230607 241127878 /nfs/dbraw/zinc/12/78/78/241127878.db2.gz ZCYXVNNWJJCPKU-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449567748 242037589 /nfs/dbraw/zinc/03/75/89/242037589.db2.gz YGDHJXDIRMWZJD-ZDUSSCGKSA-N 1 1 295.358 2.650 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449574255 242041748 /nfs/dbraw/zinc/04/17/48/242041748.db2.gz UEUVJTYJYCQBSL-BXUZGUMPSA-N 1 1 286.335 2.895 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449565964 242036581 /nfs/dbraw/zinc/03/65/81/242036581.db2.gz LWVSVTHVCCZBNG-CQSZACIVSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(F)c1 ZINC000449686129 242108329 /nfs/dbraw/zinc/10/83/29/242108329.db2.gz XLNASBSPJIGQME-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450276093 242338181 /nfs/dbraw/zinc/33/81/81/242338181.db2.gz HMELWXLKTJQPIO-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000452034169 243018193 /nfs/dbraw/zinc/01/81/93/243018193.db2.gz DQDRYAZFHIWKJR-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453061245 243383515 /nfs/dbraw/zinc/38/35/15/243383515.db2.gz SLEJRLBDKJXHQY-BXUZGUMPSA-N 1 1 288.351 2.806 20 5 CFBDMO C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690220 203121434 /nfs/dbraw/zinc/12/14/34/203121434.db2.gz AMXPXIAZCNYRDG-QWHCGFSZSA-N 1 1 278.352 2.842 20 5 CFBDMO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330907220 203378030 /nfs/dbraw/zinc/37/80/30/203378030.db2.gz NPOJPKNBXWTFCP-TXEJJXNPSA-N 1 1 291.351 2.715 20 5 CFBDMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276491629 193353630 /nfs/dbraw/zinc/35/36/30/193353630.db2.gz ASUCUJVZSIJWDO-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cs1 ZINC000459725502 245285334 /nfs/dbraw/zinc/28/53/34/245285334.db2.gz QAACJRAKHAZUFF-RYUDHWBXSA-N 1 1 294.376 2.657 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cs1 ZINC000459725502 245285345 /nfs/dbraw/zinc/28/53/45/245285345.db2.gz QAACJRAKHAZUFF-RYUDHWBXSA-N 1 1 294.376 2.657 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000014218058 372064551 /nfs/dbraw/zinc/06/45/51/372064551.db2.gz FUQVTYUHGDKPBZ-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO CCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991612 372268229 /nfs/dbraw/zinc/26/82/29/372268229.db2.gz HMXMAKDPSMVALF-UHFFFAOYSA-N 1 1 299.758 2.919 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCSCC1 ZINC000033299996 372490240 /nfs/dbraw/zinc/49/02/40/372490240.db2.gz ZENCZLBDXHWVRN-HYXAFXHYSA-N 1 1 264.350 2.657 20 5 CFBDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000036834385 372600404 /nfs/dbraw/zinc/60/04/04/372600404.db2.gz IOHXPFYTNQUHDC-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000036834385 372600414 /nfs/dbraw/zinc/60/04/14/372600414.db2.gz IOHXPFYTNQUHDC-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(=O)c1ccc(OCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000036225579 372567947 /nfs/dbraw/zinc/56/79/47/372567947.db2.gz PRCHFSDABCDPTR-UHFFFAOYSA-N 1 1 292.335 2.662 20 5 CFBDMO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140825 372653992 /nfs/dbraw/zinc/65/39/92/372653992.db2.gz KHKSYWACWIQDQS-GFCCVEGCSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H](NCC[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000040770985 372787013 /nfs/dbraw/zinc/78/70/13/372787013.db2.gz WOAOHRKYNLPFFL-CQSZACIVSA-N 1 1 291.395 2.977 20 5 CFBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000048579953 373202710 /nfs/dbraw/zinc/20/27/10/373202710.db2.gz NDZIXYLQZFEUDJ-UHFFFAOYSA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553821 373310525 /nfs/dbraw/zinc/31/05/25/373310525.db2.gz ZFKNFRKANAZMAK-VXGBXAGGSA-N 1 1 265.357 2.586 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000051916437 373418974 /nfs/dbraw/zinc/41/89/74/373418974.db2.gz ZKWFNAZPGXBPBV-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000051916437 373418983 /nfs/dbraw/zinc/41/89/83/373418983.db2.gz ZKWFNAZPGXBPBV-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000051574754 373400571 /nfs/dbraw/zinc/40/05/71/373400571.db2.gz PXRSTZDZWUHSLO-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000052812207 373451726 /nfs/dbraw/zinc/45/17/26/373451726.db2.gz CXZPJWIJZBZXDT-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CC1 ZINC000053184854 373468126 /nfs/dbraw/zinc/46/81/26/373468126.db2.gz DLTGGDPCVONKAO-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417566 383694108 /nfs/dbraw/zinc/69/41/08/383694108.db2.gz RRRUFWMCACTAMP-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417566 383694109 /nfs/dbraw/zinc/69/41/09/383694109.db2.gz RRRUFWMCACTAMP-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417566 383694110 /nfs/dbraw/zinc/69/41/10/383694110.db2.gz RRRUFWMCACTAMP-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489898379 245982171 /nfs/dbraw/zinc/98/21/71/245982171.db2.gz OLYZZUBVHVCUEC-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000070479244 374187255 /nfs/dbraw/zinc/18/72/55/374187255.db2.gz OYCCOTVUMVZFKH-QWRGUYRKSA-N 1 1 272.308 2.797 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072975182 374306510 /nfs/dbraw/zinc/30/65/10/374306510.db2.gz MYZBINJXMDSMEQ-AWEZNQCLSA-N 1 1 278.352 2.843 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976517 374311044 /nfs/dbraw/zinc/31/10/44/374311044.db2.gz YXLLRNMKMYKQGA-CQSZACIVSA-N 1 1 278.352 2.843 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000073000425 374314147 /nfs/dbraw/zinc/31/41/47/374314147.db2.gz BLINOSOFYPRNJA-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287514 374411955 /nfs/dbraw/zinc/41/19/55/374411955.db2.gz CPKCEYZBNYPJOH-JKSUJKDBSA-N 1 1 292.379 2.763 20 5 CFBDMO COc1ccc(C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000076015457 374520137 /nfs/dbraw/zinc/52/01/37/374520137.db2.gz CODHKYMXOBNYKL-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000076072594 374530589 /nfs/dbraw/zinc/53/05/89/374530589.db2.gz SHORHSMSTHKYED-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000076072594 374530595 /nfs/dbraw/zinc/53/05/95/374530595.db2.gz SHORHSMSTHKYED-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439703 374775953 /nfs/dbraw/zinc/77/59/53/374775953.db2.gz QBCIWLIIJGEILT-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000092982169 375172314 /nfs/dbraw/zinc/17/23/14/375172314.db2.gz JPTDVJFTTQTJJS-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000092982169 375172319 /nfs/dbraw/zinc/17/23/19/375172319.db2.gz JPTDVJFTTQTJJS-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000093284545 375203903 /nfs/dbraw/zinc/20/39/03/375203903.db2.gz HMCWSKIBMHQPKC-UHFFFAOYSA-N 1 1 278.352 2.762 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)C1CC1 ZINC000507157255 247167368 /nfs/dbraw/zinc/16/73/68/247167368.db2.gz WDYVLCLUGXJDAY-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)C1CC1 ZINC000507157255 247167371 /nfs/dbraw/zinc/16/73/71/247167371.db2.gz WDYVLCLUGXJDAY-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000112613625 375937434 /nfs/dbraw/zinc/93/74/34/375937434.db2.gz WDDSJPHCHNNOGT-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000116276215 376175730 /nfs/dbraw/zinc/17/57/30/376175730.db2.gz XOVVWIQGRLKDFB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000116276215 376175732 /nfs/dbraw/zinc/17/57/32/376175732.db2.gz XOVVWIQGRLKDFB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120185181 376563883 /nfs/dbraw/zinc/56/38/83/376563883.db2.gz HRTBKWHVPJJGNS-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO CC(C)CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000120256580 376581317 /nfs/dbraw/zinc/58/13/17/376581317.db2.gz DWAPCAWXWQWVME-LBPRGKRZSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000120256580 376581320 /nfs/dbraw/zinc/58/13/20/376581320.db2.gz DWAPCAWXWQWVME-LBPRGKRZSA-N 1 1 296.342 2.981 20 5 CFBDMO C[N@@H+](CCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000120430896 376615060 /nfs/dbraw/zinc/61/50/60/376615060.db2.gz NZJSJSHMCLXIMK-UHFFFAOYSA-N 1 1 278.352 2.843 20 5 CFBDMO 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381298072 /nfs/dbraw/zinc/29/80/72/381298072.db2.gz HQDMPXMULBOLAO-CHWSQXEVSA-N 1 1 279.384 2.974 20 5 CFBDMO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000296169415 381285497 /nfs/dbraw/zinc/28/54/97/381285497.db2.gz ZKHYHDWDQUZXHG-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370674376 381488648 /nfs/dbraw/zinc/48/86/48/381488648.db2.gz UYIRWRFXLQQLTJ-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370674376 381488650 /nfs/dbraw/zinc/48/86/50/381488650.db2.gz UYIRWRFXLQQLTJ-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000290624732 381503113 /nfs/dbraw/zinc/50/31/13/381503113.db2.gz DROLPZMKRTUPCX-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO CC(=O)c1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000342837386 381577025 /nfs/dbraw/zinc/57/70/25/381577025.db2.gz XOSJRZKLDYORCC-IINYFYTJSA-N 1 1 291.351 2.692 20 5 CFBDMO CC1=CC[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342858281 381588043 /nfs/dbraw/zinc/58/80/43/381588043.db2.gz XWOVIPVVRIMFKA-UHFFFAOYSA-N 1 1 279.315 2.798 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414957024 381649460 /nfs/dbraw/zinc/64/94/60/381649460.db2.gz PESWQIWJHCXNNJ-MRXNPFEDSA-N 1 1 297.358 2.571 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343437551 381709094 /nfs/dbraw/zinc/70/90/94/381709094.db2.gz MWUGCQIOOATPOR-NSHDSACASA-N 1 1 280.324 2.541 20 5 CFBDMO CC[C@H](N)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414994738 381687150 /nfs/dbraw/zinc/68/71/50/381687150.db2.gz VESOBVAONWEIOB-QEJZJMRPSA-N 1 1 291.395 2.633 20 5 CFBDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291267364 381729096 /nfs/dbraw/zinc/72/90/96/381729096.db2.gz NOIRCDZRGSWBEK-LLVKDONJSA-N 1 1 270.354 2.656 20 5 CFBDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291267364 381729102 /nfs/dbraw/zinc/72/91/02/381729102.db2.gz NOIRCDZRGSWBEK-LLVKDONJSA-N 1 1 270.354 2.656 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000291265054 381729327 /nfs/dbraw/zinc/72/93/27/381729327.db2.gz ZJITWACRYQSKDH-SECBINFHSA-N 1 1 272.374 2.584 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348836481 381730478 /nfs/dbraw/zinc/73/04/78/381730478.db2.gz WPPJECYWPLDAIM-VFFGBVLKSA-N 1 1 264.325 2.575 20 5 CFBDMO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343598595 381827692 /nfs/dbraw/zinc/82/76/92/381827692.db2.gz DHMWEWAKSWDGFJ-SNVBAGLBSA-N 1 1 298.314 2.507 20 5 CFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343598595 381827697 /nfs/dbraw/zinc/82/76/97/381827697.db2.gz DHMWEWAKSWDGFJ-SNVBAGLBSA-N 1 1 298.314 2.507 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770042 381829162 /nfs/dbraw/zinc/82/91/62/381829162.db2.gz WRMSFCLGYNCICV-DGCLKSJQSA-N 1 1 295.358 2.819 20 5 CFBDMO COc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343609327 381837813 /nfs/dbraw/zinc/83/78/13/381837813.db2.gz RSBDYFYEIKLGMW-KOLCDFICSA-N 1 1 297.330 2.637 20 5 CFBDMO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355805668 381806977 /nfs/dbraw/zinc/80/69/77/381806977.db2.gz VMOIVCBAYBMAEB-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355805668 381806981 /nfs/dbraw/zinc/80/69/81/381806981.db2.gz VMOIVCBAYBMAEB-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCOCC1 ZINC000361744520 381859468 /nfs/dbraw/zinc/85/94/68/381859468.db2.gz NGJKLSFWCLNHQU-GFCCVEGCSA-N 1 1 264.325 2.687 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000343984519 382048033 /nfs/dbraw/zinc/04/80/33/382048033.db2.gz VEXFNWCNMSJYRU-NSHDSACASA-N 1 1 298.774 2.930 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000374874127 382060479 /nfs/dbraw/zinc/06/04/79/382060479.db2.gz JSFBFKGPNOIPSR-YPMHNXCESA-N 1 1 278.352 2.933 20 5 CFBDMO CC(C)[C@@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177293 382018945 /nfs/dbraw/zinc/01/89/45/382018945.db2.gz VRYQLDQARZQVPC-AWEZNQCLSA-N 1 1 298.408 2.887 20 5 CFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177293 382018951 /nfs/dbraw/zinc/01/89/51/382018951.db2.gz VRYQLDQARZQVPC-AWEZNQCLSA-N 1 1 298.408 2.887 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000357237434 382072598 /nfs/dbraw/zinc/07/25/98/382072598.db2.gz LVFVFZBPSKSIPX-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000301125216 382087807 /nfs/dbraw/zinc/08/78/07/382087807.db2.gz ZYONYQJURKIEGW-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293368705 382097279 /nfs/dbraw/zinc/09/72/79/382097279.db2.gz HTBLSBCVRVSRGF-MRVPVSSYSA-N 1 1 278.337 2.606 20 5 CFBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301603616 382179928 /nfs/dbraw/zinc/17/99/28/382179928.db2.gz LDOCEVGJJIKVFV-CYBMUJFWSA-N 1 1 277.368 2.985 20 5 CFBDMO CC1(C)[C@@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000352013155 382130726 /nfs/dbraw/zinc/13/07/26/382130726.db2.gz ICODKSGGGWZPPD-PHIMTYICSA-N 1 1 282.290 2.961 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000352013155 382130729 /nfs/dbraw/zinc/13/07/29/382130729.db2.gz ICODKSGGGWZPPD-PHIMTYICSA-N 1 1 282.290 2.961 20 5 CFBDMO Cc1ccnc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301293845 382140685 /nfs/dbraw/zinc/14/06/85/382140685.db2.gz OLGCTYHCWMPSGK-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000377143684 382225862 /nfs/dbraw/zinc/22/58/62/382225862.db2.gz VXQFUBWKILASOR-JTQLQIEISA-N 1 1 290.298 2.605 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C2CC(OC)C2)ccc1[N+](=O)[O-] ZINC000352205255 382227040 /nfs/dbraw/zinc/22/70/40/382227040.db2.gz ZTEWUWXNUYZSLU-UHFFFAOYSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000357699913 382284862 /nfs/dbraw/zinc/28/48/62/382284862.db2.gz DAXQFBNPVUQOOU-CQSZACIVSA-N 1 1 277.368 2.680 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000363692567 382241429 /nfs/dbraw/zinc/24/14/29/382241429.db2.gz NUNJPKPSMKCEOC-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000363692567 382241434 /nfs/dbraw/zinc/24/14/34/382241434.db2.gz NUNJPKPSMKCEOC-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO CCC[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187697475 382252108 /nfs/dbraw/zinc/25/21/08/382252108.db2.gz POUGXSRPPUSXRF-NEPJUHHUSA-N 1 1 278.356 2.665 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352400283 382308501 /nfs/dbraw/zinc/30/85/01/382308501.db2.gz QZDAYCBIAQHBDI-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964477 382311916 /nfs/dbraw/zinc/31/19/16/382311916.db2.gz UAZPAWRYQWHCCR-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293888267 382323499 /nfs/dbraw/zinc/32/34/99/382323499.db2.gz ZAHVPCIMSNSAFR-VIFPVBQESA-N 1 1 292.364 2.914 20 5 CFBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188171025 382360597 /nfs/dbraw/zinc/36/05/97/382360597.db2.gz KZFAJCZNSWCVFY-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO COc1cc(C[N@H+]2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352545473 382390081 /nfs/dbraw/zinc/39/00/81/382390081.db2.gz JEVAAKLPHPCIHD-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352545254 382390458 /nfs/dbraw/zinc/39/04/58/382390458.db2.gz HUANZGIUTHYBKQ-WCQYABFASA-N 1 1 264.325 2.685 20 5 CFBDMO COc1cc(C[N@@H+](C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000352546460 382391462 /nfs/dbraw/zinc/39/14/62/382391462.db2.gz VNXIBALHSDSQMO-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000352779844 382470368 /nfs/dbraw/zinc/47/03/68/382470368.db2.gz RCBSEGAKFVBUES-JMSVASOKSA-N 1 1 278.352 2.667 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000352730603 382463509 /nfs/dbraw/zinc/46/35/09/382463509.db2.gz FTXFHUWFISBZSH-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO C[N@H+]1CC[C@@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000366177767 382480255 /nfs/dbraw/zinc/48/02/55/382480255.db2.gz LBEINTHYKVFUQV-CQSZACIVSA-N 1 1 295.770 2.780 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212137 382508510 /nfs/dbraw/zinc/50/85/10/382508510.db2.gz RRRDOASHQJVTBP-LSDHHAIUSA-N 1 1 296.342 2.859 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000295006707 382560818 /nfs/dbraw/zinc/56/08/18/382560818.db2.gz IZEMNUGGXMZPPI-LLVKDONJSA-N 1 1 282.365 2.541 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)CO ZINC000295329117 382618265 /nfs/dbraw/zinc/61/82/65/382618265.db2.gz XATZCCBNEDGIJC-NSHDSACASA-N 1 1 266.341 2.606 20 5 CFBDMO Cc1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000353747914 382624360 /nfs/dbraw/zinc/62/43/60/382624360.db2.gz BSVOVWDRJWHXJK-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000353747914 382624362 /nfs/dbraw/zinc/62/43/62/382624362.db2.gz BSVOVWDRJWHXJK-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO C[C@@H]1CSCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190441395 382668258 /nfs/dbraw/zinc/66/82/58/382668258.db2.gz RLBGDSGYVBPSAT-VIFPVBQESA-N 1 1 272.395 2.841 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000190441395 382668260 /nfs/dbraw/zinc/66/82/60/382668260.db2.gz RLBGDSGYVBPSAT-VIFPVBQESA-N 1 1 272.395 2.841 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CCCCC1 ZINC000191297627 382697902 /nfs/dbraw/zinc/69/79/02/382697902.db2.gz UCOWMQUQPMHATP-MRXNPFEDSA-N 1 1 292.379 2.968 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193376480 382719468 /nfs/dbraw/zinc/71/94/68/382719468.db2.gz HNTKDPLJCJZQSS-GFCCVEGCSA-N 1 1 292.383 2.853 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000220349909 382795694 /nfs/dbraw/zinc/79/56/94/382795694.db2.gz RBLKYDXFQBQGGC-NSHDSACASA-N 1 1 281.356 2.746 20 5 CFBDMO CCC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000212226692 382776142 /nfs/dbraw/zinc/77/61/42/382776142.db2.gz ROAWGTUKMAJFBQ-OAHLLOKOSA-N 1 1 288.351 2.959 20 5 CFBDMO CC1(C)C[C@H]([NH2+]Cc2cc[nH]n2)c2cc([N+](=O)[O-])ccc21 ZINC000576180442 382813353 /nfs/dbraw/zinc/81/33/53/382813353.db2.gz UBMLYEDTWTUWCE-AWEZNQCLSA-N 1 1 286.335 2.830 20 5 CFBDMO Cc1ccc(NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000229327814 382851001 /nfs/dbraw/zinc/85/10/01/382851001.db2.gz ALNHNHVNFROBCC-NSHDSACASA-N 1 1 263.341 2.798 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227118878 382833981 /nfs/dbraw/zinc/83/39/81/382833981.db2.gz VMTSEFVPLDLJIR-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227649261 382839024 /nfs/dbraw/zinc/83/90/24/382839024.db2.gz XRFPYMXYFGUHJQ-UHFFFAOYSA-N 1 1 286.763 2.785 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000227685279 382839535 /nfs/dbraw/zinc/83/95/35/382839535.db2.gz PUMFEBRMURYHCN-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441436435 382913995 /nfs/dbraw/zinc/91/39/95/382913995.db2.gz ODJBKERDIKKPPI-NWDGAFQWSA-N 1 1 294.351 2.713 20 5 CFBDMO CC[NH+](CC)[C@H](C)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000236867434 382925208 /nfs/dbraw/zinc/92/52/08/382925208.db2.gz MNRGWDNSTYLZOZ-QSYFUGGGSA-N 1 1 291.395 2.928 20 5 CFBDMO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495249156 382975175 /nfs/dbraw/zinc/97/51/75/382975175.db2.gz QOPPYKZTNDQPHF-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495249156 382975178 /nfs/dbraw/zinc/97/51/78/382975178.db2.gz QOPPYKZTNDQPHF-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@H]1C[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772557 382980027 /nfs/dbraw/zinc/98/00/27/382980027.db2.gz FZCFHMIGMHPTRC-STQMWFEESA-N 1 1 290.363 2.768 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000447805419 383010310 /nfs/dbraw/zinc/01/03/10/383010310.db2.gz JCKVTTAZHTWENC-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000246922308 383121622 /nfs/dbraw/zinc/12/16/22/383121622.db2.gz GMXLUFPWXZPNNM-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064570 383137420 /nfs/dbraw/zinc/13/74/20/383137420.db2.gz MRTRNIOTNLIQES-JTQLQIEISA-N 1 1 264.325 2.921 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000338974806 383106213 /nfs/dbraw/zinc/10/62/13/383106213.db2.gz UKJBYXFXYBATNK-LBPRGKRZSA-N 1 1 266.341 2.950 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489411 383176946 /nfs/dbraw/zinc/17/69/46/383176946.db2.gz GPSPAFHQLGLIAV-IUODEOHRSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cnc(OC[C@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000339115291 383155046 /nfs/dbraw/zinc/15/50/46/383155046.db2.gz NPGMRJQKQGEEMG-CYBMUJFWSA-N 1 1 293.367 2.940 20 5 CFBDMO COc1cc(C[NH2+][C@H]2CCC[C@@H]2F)c([N+](=O)[O-])cc1OC ZINC000339587717 383256211 /nfs/dbraw/zinc/25/62/11/383256211.db2.gz SDSNHNVQPQDRTF-QWRGUYRKSA-N 1 1 298.314 2.592 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449391076 383259631 /nfs/dbraw/zinc/25/96/31/383259631.db2.gz HPULRSMUXCSBQL-HNNXBMFYSA-N 1 1 278.352 2.762 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000248699907 383281505 /nfs/dbraw/zinc/28/15/05/383281505.db2.gz ZLBCVSQUYAHCIR-GXTWGEPZSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248358400 383228366 /nfs/dbraw/zinc/22/83/66/383228366.db2.gz QSTVUNCGAJUJCI-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492091 383329830 /nfs/dbraw/zinc/32/98/30/383329830.db2.gz BFCLWBCHFMXSDO-WFASDCNBSA-N 1 1 278.352 2.760 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449503358 383340399 /nfs/dbraw/zinc/34/03/99/383340399.db2.gz PLAHQNNGNVLIDH-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827253 383345847 /nfs/dbraw/zinc/34/58/47/383345847.db2.gz UWUSYFFMJCWPCL-RNCFNFMXSA-N 1 1 279.315 2.629 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2C2CC2)c(F)c1 ZINC000449425901 383286119 /nfs/dbraw/zinc/28/61/19/383286119.db2.gz JHIWUULIXONIRI-ZDUSSCGKSA-N 1 1 250.273 2.718 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)c(F)c1 ZINC000449425901 383286125 /nfs/dbraw/zinc/28/61/25/383286125.db2.gz JHIWUULIXONIRI-ZDUSSCGKSA-N 1 1 250.273 2.718 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)CO ZINC000449430291 383290228 /nfs/dbraw/zinc/29/02/28/383290228.db2.gz VUXOSIHQHKINNB-JYRVWZFOSA-N 1 1 292.379 2.948 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248837829 383296396 /nfs/dbraw/zinc/29/63/96/383296396.db2.gz OIZYFOAYNDHTDF-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248837829 383296401 /nfs/dbraw/zinc/29/64/01/383296401.db2.gz OIZYFOAYNDHTDF-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000339780252 383315841 /nfs/dbraw/zinc/31/58/41/383315841.db2.gz QWFXNKIBPGGAOF-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339780252 383315844 /nfs/dbraw/zinc/31/58/44/383315844.db2.gz QWFXNKIBPGGAOF-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000449528763 383353821 /nfs/dbraw/zinc/35/38/21/383353821.db2.gz RTAYDZVLICIFAT-CQSZACIVSA-N 1 1 278.377 2.922 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000253092354 383443139 /nfs/dbraw/zinc/44/31/39/383443139.db2.gz KVYNTQPJMTZVMY-ARFHVFGLSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000568979981 383455226 /nfs/dbraw/zinc/45/52/26/383455226.db2.gz RMCVVXSBHGUICX-OAHLLOKOSA-N 1 1 283.331 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000569007230 383460847 /nfs/dbraw/zinc/46/08/47/383460847.db2.gz FMHAPKNEZJDEPE-BBRMVZONSA-N 1 1 290.363 2.504 20 5 CFBDMO CCc1nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000450562414 383462647 /nfs/dbraw/zinc/46/26/47/383462647.db2.gz REXJCFHHCFWZBD-NSHDSACASA-N 1 1 286.335 2.851 20 5 CFBDMO CCC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604112 383477945 /nfs/dbraw/zinc/47/79/45/383477945.db2.gz VPIOVEKQGPHUSR-AWEZNQCLSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567702 383546425 /nfs/dbraw/zinc/54/64/25/383546425.db2.gz YALJLKJSVUSUHJ-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000451551234 383643427 /nfs/dbraw/zinc/64/34/27/383643427.db2.gz TYPVIVGLQOIQBN-HOCLYGCPSA-N 1 1 290.363 2.953 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000570930960 383649051 /nfs/dbraw/zinc/64/90/51/383649051.db2.gz KBRUYMIDCNYOTE-NSHDSACASA-N 1 1 296.346 2.805 20 5 CFBDMO CCO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451526280 383634954 /nfs/dbraw/zinc/63/49/54/383634954.db2.gz GMUONAHAAKBJKQ-CJNGLKHVSA-N 1 1 292.379 2.884 20 5 CFBDMO CC1=CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000436251207 383792129 /nfs/dbraw/zinc/79/21/29/383792129.db2.gz DVUFVZHGXIFKNH-UHFFFAOYSA-N 1 1 289.335 2.575 20 5 CFBDMO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000265979047 384041885 /nfs/dbraw/zinc/04/18/85/384041885.db2.gz APKXEVFJQMNDOW-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000266286687 384136339 /nfs/dbraw/zinc/13/63/39/384136339.db2.gz VTSSKDUDJUSISX-NWDGAFQWSA-N 1 1 263.341 2.514 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CCOCC3)cs1 ZINC000266554500 384197573 /nfs/dbraw/zinc/19/75/73/384197573.db2.gz LRWJRJUKQQPFIH-UHFFFAOYSA-N 1 1 282.365 2.659 20 5 CFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266564313 384199108 /nfs/dbraw/zinc/19/91/08/384199108.db2.gz ZCNXVFKUZNSZGK-NWDGAFQWSA-N 1 1 292.335 2.541 20 5 CFBDMO CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000266568815 384199943 /nfs/dbraw/zinc/19/99/43/384199943.db2.gz CCRVHJQSUQSSET-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCC[C@@H]1C ZINC000444672559 285093274 /nfs/dbraw/zinc/09/32/74/285093274.db2.gz HDFXKGZZFDGVII-RYUDHWBXSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266887260 384254449 /nfs/dbraw/zinc/25/44/49/384254449.db2.gz BSIOIYAEVUALTQ-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000266960967 384269388 /nfs/dbraw/zinc/26/93/88/384269388.db2.gz XOIPPGWRWSJJGQ-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277567220 384340039 /nfs/dbraw/zinc/34/00/39/384340039.db2.gz ZILFZAYGGQDYEJ-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000277787004 384405144 /nfs/dbraw/zinc/40/51/44/384405144.db2.gz OIQJWRPZKKOECM-HNNXBMFYSA-N 1 1 278.352 2.722 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369462992 285110523 /nfs/dbraw/zinc/11/05/23/285110523.db2.gz ALGUCORQBNEDRB-CVEARBPZSA-N 1 1 290.363 2.781 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000362452451 285110609 /nfs/dbraw/zinc/11/06/09/285110609.db2.gz MXTYFZWOKSQEOZ-ZBFHGGJFSA-N 1 1 290.363 2.638 20 5 CFBDMO CSCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000281135242 195118612 /nfs/dbraw/zinc/11/86/12/195118612.db2.gz DICCUCQXOQILGD-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000268323865 384602921 /nfs/dbraw/zinc/60/29/21/384602921.db2.gz LPSAOXXBKYZSBD-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000278822609 384599677 /nfs/dbraw/zinc/59/96/77/384599677.db2.gz SOQAFBYIDRLUKZ-ABAIWWIYSA-N 1 1 277.368 2.512 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000269100419 384725228 /nfs/dbraw/zinc/72/52/28/384725228.db2.gz RLYBNSHQFIWXFE-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279681920 384720724 /nfs/dbraw/zinc/72/07/24/384720724.db2.gz OVXQLZOCWYGOED-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692321 384837908 /nfs/dbraw/zinc/83/79/08/384837908.db2.gz VMBJPYDLRAHVRZ-HUUCEWRRSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCC1 ZINC000269761435 384862585 /nfs/dbraw/zinc/86/25/85/384862585.db2.gz BLDVIBVSNUSCKH-GFCCVEGCSA-N 1 1 278.352 2.893 20 5 CFBDMO COc1ccc(C[N@@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000280790302 385154549 /nfs/dbraw/zinc/15/45/49/385154549.db2.gz JMYARPZCKYONCS-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO COc1ccc(C[N@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000280790302 385154557 /nfs/dbraw/zinc/15/45/57/385154557.db2.gz JMYARPZCKYONCS-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405111 385302531 /nfs/dbraw/zinc/30/25/31/385302531.db2.gz IAYQRAZSMZNIDT-IUODEOHRSA-N 1 1 278.352 2.637 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000288984328 197206764 /nfs/dbraw/zinc/20/67/64/197206764.db2.gz ZNMKFMRFUFJALH-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914918 385398619 /nfs/dbraw/zinc/39/86/19/385398619.db2.gz YRTFHZYLJUOILO-LBPRGKRZSA-N 1 1 275.352 2.507 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301342893 285164611 /nfs/dbraw/zinc/16/46/11/285164611.db2.gz IPYQCHOKRZZBNW-MJBXVCDLSA-N 1 1 287.363 2.515 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC=CO1 ZINC000283052425 385429437 /nfs/dbraw/zinc/42/94/37/385429437.db2.gz OVMNBUVFTUSDDP-HNNXBMFYSA-N 1 1 276.336 2.762 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(CO)CC1 ZINC000283097319 385434910 /nfs/dbraw/zinc/43/49/10/385434910.db2.gz LPTLLIMKGVRXSY-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283676032 385487326 /nfs/dbraw/zinc/48/73/26/385487326.db2.gz VPDHSNHIGRYNNA-UHFFFAOYSA-N 1 1 295.358 2.650 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC000272262116 385491803 /nfs/dbraw/zinc/49/18/03/385491803.db2.gz BUAIHJLMYVFXBI-CHWSQXEVSA-N 1 1 278.352 2.669 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288737260 197155814 /nfs/dbraw/zinc/15/58/14/197155814.db2.gz FLTCOLNJUZNOHK-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288737260 197155816 /nfs/dbraw/zinc/15/58/16/197155816.db2.gz FLTCOLNJUZNOHK-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010353 386106521 /nfs/dbraw/zinc/10/65/21/386106521.db2.gz LIEISYWDCPUTLV-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276934657 386085092 /nfs/dbraw/zinc/08/50/92/386085092.db2.gz RKFVHTXFTJZFER-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000080977277 177743696 /nfs/dbraw/zinc/74/36/96/177743696.db2.gz BJMYAWSCAIHACC-UHFFFAOYSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116280084 533582655 /nfs/dbraw/zinc/58/26/55/533582655.db2.gz IPOQHAPFPJVKBA-SNVBAGLBSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342050660 130221790 /nfs/dbraw/zinc/22/17/90/130221790.db2.gz RNBABLXQIGUVEL-OAHLLOKOSA-N 1 1 292.379 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)c(F)c1 ZINC000342059910 130227921 /nfs/dbraw/zinc/22/79/21/130227921.db2.gz HJOCGPSKXDWSAP-CYBMUJFWSA-N 1 1 296.342 2.861 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342039559 130252884 /nfs/dbraw/zinc/25/28/84/130252884.db2.gz WARLABQLPQAULF-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342039559 130252887 /nfs/dbraw/zinc/25/28/87/130252887.db2.gz WARLABQLPQAULF-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355435723 130305502 /nfs/dbraw/zinc/30/55/02/130305502.db2.gz UPXZRSDHPKPOSG-UHFFFAOYSA-N 1 1 296.286 2.803 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000246385422 131093573 /nfs/dbraw/zinc/09/35/73/131093573.db2.gz ILUDRMZPNAVJOA-ZJUUUORDSA-N 1 1 275.308 2.966 20 5 CFBDMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000246374917 131093933 /nfs/dbraw/zinc/09/39/33/131093933.db2.gz ANSHNYHUJJECOY-LBPRGKRZSA-N 1 1 295.770 2.528 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252219984 131133649 /nfs/dbraw/zinc/13/36/49/131133649.db2.gz YTVJSEKLRVCBNY-TYNCELHUSA-N 1 1 278.352 2.891 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000268877727 132081549 /nfs/dbraw/zinc/08/15/49/132081549.db2.gz ZDJTVIOAIXQJTQ-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1c([C@@H](C)[NH2+][C@H](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000269070645 132107854 /nfs/dbraw/zinc/10/78/54/132107854.db2.gz ZXXARTKZAGRDHM-DGCLKSJQSA-N 1 1 279.384 2.894 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119394 /nfs/dbraw/zinc/11/93/94/132119394.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 1 1 289.379 2.511 20 5 CFBDMO CCc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000180426915 393481999 /nfs/dbraw/zinc/48/19/99/393481999.db2.gz QMPBOSPZIYNZMN-UHFFFAOYSA-N 1 1 286.335 2.892 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378264388 393544109 /nfs/dbraw/zinc/54/41/09/393544109.db2.gz CJDLMRADRSGCON-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996373 393527702 /nfs/dbraw/zinc/52/77/02/393527702.db2.gz LXDZQASNPCSFGC-VBNZEHGJSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996373 393527708 /nfs/dbraw/zinc/52/77/08/393527708.db2.gz LXDZQASNPCSFGC-VBNZEHGJSA-N 1 1 289.379 2.872 20 5 CFBDMO COc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562416 393531881 /nfs/dbraw/zinc/53/18/81/393531881.db2.gz MBJYVNXYRIXISN-UHFFFAOYSA-N 1 1 278.333 2.955 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411141205 393672629 /nfs/dbraw/zinc/67/26/29/393672629.db2.gz IUKRIIADCRQDJP-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923827 393762731 /nfs/dbraw/zinc/76/27/31/393762731.db2.gz NMVYKVRERXZIEH-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO CC1(C)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000077383138 393698939 /nfs/dbraw/zinc/69/89/39/393698939.db2.gz FCNUHNSAANJFSR-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411361320 393703425 /nfs/dbraw/zinc/70/34/25/393703425.db2.gz HAHDLMXINZWFQQ-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737051 393870182 /nfs/dbraw/zinc/87/01/82/393870182.db2.gz NUKSQDKDKHSXDQ-OUCADQQQSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737051 393870184 /nfs/dbraw/zinc/87/01/84/393870184.db2.gz NUKSQDKDKHSXDQ-OUCADQQQSA-N 1 1 277.368 2.728 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248596956 393911572 /nfs/dbraw/zinc/91/15/72/393911572.db2.gz IJBQJDQSCOVNJA-NEPJUHHUSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248596956 393911574 /nfs/dbraw/zinc/91/15/74/393911574.db2.gz IJBQJDQSCOVNJA-NEPJUHHUSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000248582901 393911877 /nfs/dbraw/zinc/91/18/77/393911877.db2.gz FPNGNKYXIHUHBY-NEPJUHHUSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000248582901 393911882 /nfs/dbraw/zinc/91/18/82/393911882.db2.gz FPNGNKYXIHUHBY-NEPJUHHUSA-N 1 1 264.325 2.512 20 5 CFBDMO COC[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178798 393899163 /nfs/dbraw/zinc/89/91/63/393899163.db2.gz ODSZEVMIECSZKD-ODDCISTRSA-N 1 1 290.363 2.966 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000119720542 393923682 /nfs/dbraw/zinc/92/36/82/393923682.db2.gz YMGGRGDQGRHIOK-YOIVXCQUSA-N 1 1 290.363 2.966 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598187 393937153 /nfs/dbraw/zinc/93/71/53/393937153.db2.gz YCYBHGDDYQAFBT-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598187 393937158 /nfs/dbraw/zinc/93/71/58/393937158.db2.gz YCYBHGDDYQAFBT-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)CCCCO)cc1[N+](=O)[O-] ZINC000471822720 393920045 /nfs/dbraw/zinc/92/00/45/393920045.db2.gz PKZOKYYWBYLUMQ-UHFFFAOYSA-N 1 1 280.368 2.923 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000430193448 393966449 /nfs/dbraw/zinc/96/64/49/393966449.db2.gz GESBCMATONSSHY-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000430242508 393971552 /nfs/dbraw/zinc/97/15/52/393971552.db2.gz YDKWUBULEWULPN-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270108975 394008885 /nfs/dbraw/zinc/00/88/85/394008885.db2.gz MHOWMCFZOQLEAK-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H](O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000354734601 394050143 /nfs/dbraw/zinc/05/01/43/394050143.db2.gz OZCHPBRSYLMVAP-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000360027931 394144505 /nfs/dbraw/zinc/14/45/05/394144505.db2.gz PKBKDJULOQMXNY-JTQLQIEISA-N 1 1 286.759 2.839 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049829 394144678 /nfs/dbraw/zinc/14/46/78/394144678.db2.gz HFNIZXFLBUITFT-GHMZBOCLSA-N 1 1 281.331 2.571 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1CCC[N@H+]1C ZINC000420995140 394148992 /nfs/dbraw/zinc/14/89/92/394148992.db2.gz DESJMKCGDCLOHI-DZGCQCFKSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCN1C ZINC000420995140 394148993 /nfs/dbraw/zinc/14/89/93/394148993.db2.gz DESJMKCGDCLOHI-DZGCQCFKSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCN1C ZINC000420995140 394148995 /nfs/dbraw/zinc/14/89/95/394148995.db2.gz DESJMKCGDCLOHI-DZGCQCFKSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420995144 394149533 /nfs/dbraw/zinc/14/95/33/394149533.db2.gz DESJMKCGDCLOHI-HIFRSBDPSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C ZINC000420995144 394149535 /nfs/dbraw/zinc/14/95/35/394149535.db2.gz DESJMKCGDCLOHI-HIFRSBDPSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C ZINC000420995144 394149538 /nfs/dbraw/zinc/14/95/38/394149538.db2.gz DESJMKCGDCLOHI-HIFRSBDPSA-N 1 1 291.395 2.990 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000135294582 394216205 /nfs/dbraw/zinc/21/62/05/394216205.db2.gz PIXIIZZCSULHSZ-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CCC[N@H+](CC)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176291 394242700 /nfs/dbraw/zinc/24/27/00/394242700.db2.gz MDSAIPDOYAJFJU-CQSZACIVSA-N 1 1 293.411 2.847 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176291 394242702 /nfs/dbraw/zinc/24/27/02/394242702.db2.gz MDSAIPDOYAJFJU-CQSZACIVSA-N 1 1 293.411 2.847 20 5 CFBDMO Cc1cccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292696619 394276005 /nfs/dbraw/zinc/27/60/05/394276005.db2.gz FUIHSKCFJHSJKI-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292807742 394277363 /nfs/dbraw/zinc/27/73/63/394277363.db2.gz NYBUUHYKECBCTR-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450546805 394294916 /nfs/dbraw/zinc/29/49/16/394294916.db2.gz LBIFXCLSMKAVMF-GFCCVEGCSA-N 1 1 289.379 2.824 20 5 CFBDMO CC(C)C[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450687849 394317844 /nfs/dbraw/zinc/31/78/44/394317844.db2.gz BLJLCAKDIVVQMB-LLVKDONJSA-N 1 1 263.341 2.783 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494652989 394361371 /nfs/dbraw/zinc/36/13/71/394361371.db2.gz JTYUFWTWRIFNQL-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000548097651 394909636 /nfs/dbraw/zinc/90/96/36/394909636.db2.gz OSEYAUJSFHHFGB-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000548097651 394909639 /nfs/dbraw/zinc/90/96/39/394909639.db2.gz OSEYAUJSFHHFGB-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO C[C@H]1C[C@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000548753769 394950827 /nfs/dbraw/zinc/95/08/27/394950827.db2.gz LMBUYJSRYBOCRI-UWVGGRQHSA-N 1 1 288.307 2.628 20 5 CFBDMO COC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCC1 ZINC000555428875 394974137 /nfs/dbraw/zinc/97/41/37/394974137.db2.gz HFDDUUVHMSMGOL-UHFFFAOYSA-N 1 1 290.363 2.912 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000557524302 395038421 /nfs/dbraw/zinc/03/84/21/395038421.db2.gz XNNXBLQPVILHKT-WFVZMWEJSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903121 155132463 /nfs/dbraw/zinc/13/24/63/155132463.db2.gz CHXOFKAQCSIPHQ-CHWSQXEVSA-N 1 1 292.383 2.911 20 5 CFBDMO C[C@]12COC[C@@H]1CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601195127 397587377 /nfs/dbraw/zinc/58/73/77/397587377.db2.gz DWLXUNYVJUUMED-ZBEGNZNMSA-N 1 1 299.330 2.616 20 5 CFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000356797528 155371636 /nfs/dbraw/zinc/37/16/36/155371636.db2.gz FRZXONFXTOKCET-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190875000 292295522 /nfs/dbraw/zinc/29/55/22/292295522.db2.gz CUIVMXHOIBGEGM-UPJWGTAASA-N 1 1 278.352 2.524 20 5 CFBDMO CCCCC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362949602 156122975 /nfs/dbraw/zinc/12/29/75/156122975.db2.gz QNYIFZVJXQEBQZ-ZDUSSCGKSA-N 1 1 280.372 2.836 20 5 CFBDMO CCCCC[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362955269 156124767 /nfs/dbraw/zinc/12/47/67/156124767.db2.gz PVEHFEHGDNSJSM-LBPRGKRZSA-N 1 1 280.372 2.873 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC000374911981 157171976 /nfs/dbraw/zinc/17/19/76/157171976.db2.gz MESUTHFBNDILRL-GFCCVEGCSA-N 1 1 264.300 2.966 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375019416 157185474 /nfs/dbraw/zinc/18/54/74/157185474.db2.gz MBERLBODXUDGOR-DVOMOZLQSA-N 1 1 289.379 2.682 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375801583 157286128 /nfs/dbraw/zinc/28/61/28/157286128.db2.gz LYOURIGMBOJKPL-PMPSAXMXSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375801583 157286129 /nfs/dbraw/zinc/28/61/29/157286129.db2.gz LYOURIGMBOJKPL-PMPSAXMXSA-N 1 1 289.379 2.557 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165546 162192272 /nfs/dbraw/zinc/19/22/72/162192272.db2.gz ATNVXTGSIUWLLD-QWRGUYRKSA-N 1 1 281.331 2.653 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000346163280 162334468 /nfs/dbraw/zinc/33/44/68/162334468.db2.gz LSZAJWMPOSBXPU-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346209977 162352562 /nfs/dbraw/zinc/35/25/62/162352562.db2.gz ONKOEVYCVLIFKG-QWRGUYRKSA-N 1 1 283.397 2.571 20 5 CFBDMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000346352922 162392376 /nfs/dbraw/zinc/39/23/76/162392376.db2.gz ZHIBNNXASIMBTH-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO CCN1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349963756 163043399 /nfs/dbraw/zinc/04/33/99/163043399.db2.gz IZWCQHHJTVFINX-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCN1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349963756 163043400 /nfs/dbraw/zinc/04/34/00/163043400.db2.gz IZWCQHHJTVFINX-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000350006076 163050575 /nfs/dbraw/zinc/05/05/75/163050575.db2.gz FTXZTZJXFVTCPB-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000350395253 163075391 /nfs/dbraw/zinc/07/53/91/163075391.db2.gz SSQRTTIFHHWPBX-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000350395253 163075392 /nfs/dbraw/zinc/07/53/92/163075392.db2.gz SSQRTTIFHHWPBX-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353117454 163308359 /nfs/dbraw/zinc/30/83/59/163308359.db2.gz MMCVCAAQJOFQPP-KGXGESDWSA-N 1 1 291.395 2.926 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353117454 163308363 /nfs/dbraw/zinc/30/83/63/163308363.db2.gz MMCVCAAQJOFQPP-KGXGESDWSA-N 1 1 291.395 2.926 20 5 CFBDMO Cn1ccnc1[C@@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353383795 163354940 /nfs/dbraw/zinc/35/49/40/163354940.db2.gz GKWYNGPMCYYSIZ-AWEZNQCLSA-N 1 1 286.335 2.560 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000354032764 163509995 /nfs/dbraw/zinc/50/99/95/163509995.db2.gz DKKQKRNFWHWERN-UHFFFAOYSA-N 1 1 259.309 2.863 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000354032764 163509997 /nfs/dbraw/zinc/50/99/97/163509997.db2.gz DKKQKRNFWHWERN-UHFFFAOYSA-N 1 1 259.309 2.863 20 5 CFBDMO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000423218621 287051337 /nfs/dbraw/zinc/05/13/37/287051337.db2.gz SCVZWSGULLVIBF-SCRDCRAPSA-N 1 1 277.368 2.634 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376478067 287145108 /nfs/dbraw/zinc/14/51/08/287145108.db2.gz NMWQUTMZRXEMJG-CORIIIEPSA-N 1 1 276.336 2.767 20 5 CFBDMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014194173 170623797 /nfs/dbraw/zinc/62/37/97/170623797.db2.gz YZIVAZDXXYFFPP-RYUDHWBXSA-N 1 1 291.351 2.796 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000037487199 173230246 /nfs/dbraw/zinc/23/02/46/173230246.db2.gz UJFBAILZEXAWJT-UHFFFAOYSA-N 1 1 282.303 2.532 20 5 CFBDMO CCC[C@@H](NC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087860 174100410 /nfs/dbraw/zinc/10/04/10/174100410.db2.gz ASXPUHCOQUZHOP-IUODEOHRSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](NC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087920 174100539 /nfs/dbraw/zinc/10/05/39/174100539.db2.gz SHAINOOWTVVCPJ-BXUZGUMPSA-N 1 1 265.357 2.586 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040503278 174299526 /nfs/dbraw/zinc/29/95/26/174299526.db2.gz VFRKQMNHOBDNNF-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044725865 175238209 /nfs/dbraw/zinc/23/82/09/175238209.db2.gz NESPMNJHMAUUSE-LLVKDONJSA-N 1 1 261.325 2.552 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000518080299 260341212 /nfs/dbraw/zinc/34/12/12/260341212.db2.gz XHTZDGYEBGPWTL-LLVKDONJSA-N 1 1 291.351 2.572 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083418038 260349700 /nfs/dbraw/zinc/34/97/00/260349700.db2.gz WQXFIMBZTJFFKV-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000296814527 263196836 /nfs/dbraw/zinc/19/68/36/263196836.db2.gz VDKFBLWCZOOMDH-QWRGUYRKSA-N 1 1 272.308 2.797 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190044383 264345676 /nfs/dbraw/zinc/34/56/76/264345676.db2.gz PWASIDQBVQXSQS-LRDDRELGSA-N 1 1 292.379 2.921 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518745 270254123 /nfs/dbraw/zinc/25/41/23/270254123.db2.gz XXQCARCALPQMOR-LBPRGKRZSA-N 1 1 288.351 2.911 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518745 270254124 /nfs/dbraw/zinc/25/41/24/270254124.db2.gz XXQCARCALPQMOR-LBPRGKRZSA-N 1 1 288.351 2.911 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227496725 270257250 /nfs/dbraw/zinc/25/72/50/270257250.db2.gz SGXFZHIHIFXEAL-AAEUAGOBSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260846 270327826 /nfs/dbraw/zinc/32/78/26/270327826.db2.gz SXMAAULWNFSMKH-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260846 270327829 /nfs/dbraw/zinc/32/78/29/270327829.db2.gz SXMAAULWNFSMKH-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO COCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272304249 274023859 /nfs/dbraw/zinc/02/38/59/274023859.db2.gz JLVQLWGJUZVGMM-LLVKDONJSA-N 1 1 252.314 2.542 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444646019 274399510 /nfs/dbraw/zinc/39/95/10/274399510.db2.gz XZOUIKOFJYQANA-ZJUUUORDSA-N 1 1 274.324 2.701 20 5 CFBDMO CC[N@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347352499 276133524 /nfs/dbraw/zinc/13/35/24/276133524.db2.gz YKWRFARFNBKDKJ-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347352499 276133525 /nfs/dbraw/zinc/13/35/25/276133525.db2.gz YKWRFARFNBKDKJ-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CCOc1cccc(N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000273214887 276380609 /nfs/dbraw/zinc/38/06/09/276380609.db2.gz ULIZWXMYLIKSQO-UHFFFAOYSA-N 1 1 293.367 2.526 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292840362 277072985 /nfs/dbraw/zinc/07/29/85/277072985.db2.gz QMMWPPFFNMHXQO-OAHLLOKOSA-N 1 1 275.352 2.517 20 5 CFBDMO C[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000279013212 278284766 /nfs/dbraw/zinc/28/47/66/278284766.db2.gz HCELCZHBYFTJKG-XHDPSFHLSA-N 1 1 291.395 2.857 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461897 278347120 /nfs/dbraw/zinc/34/71/20/278347120.db2.gz NLCKJXINWHXFKK-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461897 278347121 /nfs/dbraw/zinc/34/71/21/278347121.db2.gz NLCKJXINWHXFKK-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280331536 279357930 /nfs/dbraw/zinc/35/79/30/279357930.db2.gz HRWDAHBKJRXYBC-CYBMUJFWSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000453251338 279498776 /nfs/dbraw/zinc/49/87/76/279498776.db2.gz ZSYHHZJSOSANMR-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CO ZINC000050445174 280357605 /nfs/dbraw/zinc/35/76/05/280357605.db2.gz DOBJDVQFVDKKQM-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000050445174 280357606 /nfs/dbraw/zinc/35/76/06/280357606.db2.gz DOBJDVQFVDKKQM-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000268163908 281010071 /nfs/dbraw/zinc/01/00/71/281010071.db2.gz PGRJTVZDQULRIL-QWHCGFSZSA-N 1 1 277.368 2.680 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000248700737 281031469 /nfs/dbraw/zinc/03/14/69/281031469.db2.gz ZNNUWSQFSWRITI-DOMZBBRYSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000248700737 281031471 /nfs/dbraw/zinc/03/14/71/281031471.db2.gz ZNNUWSQFSWRITI-DOMZBBRYSA-N 1 1 278.352 2.903 20 5 CFBDMO CCC[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249286377 281054726 /nfs/dbraw/zinc/05/47/26/281054726.db2.gz POUGXSRPPUSXRF-VXGBXAGGSA-N 1 1 278.356 2.665 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@H]1C ZINC000249337191 281055714 /nfs/dbraw/zinc/05/57/14/281055714.db2.gz IKNBCXPAAXSUJY-OLZOCXBDSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728745 281208162 /nfs/dbraw/zinc/20/81/62/281208162.db2.gz IGSWPDYOFYWVCR-MNOVXSKESA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728745 281208163 /nfs/dbraw/zinc/20/81/63/281208163.db2.gz IGSWPDYOFYWVCR-MNOVXSKESA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1cccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000364603510 281229172 /nfs/dbraw/zinc/22/91/72/281229172.db2.gz FRENCCOIJLJCFN-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495948 281229211 /nfs/dbraw/zinc/22/92/11/281229211.db2.gz RXAMJCDQNOSNLV-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495939 281229673 /nfs/dbraw/zinc/22/96/73/281229673.db2.gz RXAMJCDQNOSNLV-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000341812775 281261090 /nfs/dbraw/zinc/26/10/90/281261090.db2.gz ZOFCHFVIMCRYRA-LBPRGKRZSA-N 1 1 293.367 2.818 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)C[C@H]1C ZINC000547770570 281754491 /nfs/dbraw/zinc/75/44/91/281754491.db2.gz QZMDWPOIZMICGL-NXEZZACHSA-N 1 1 250.298 2.586 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000564917657 290249465 /nfs/dbraw/zinc/24/94/65/290249465.db2.gz ZUZNPOOYRUXYNX-GJZGRUSLSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476476 290267586 /nfs/dbraw/zinc/26/75/86/290267586.db2.gz BMEZGTGZQZLEAC-AYRXBEOTSA-N 1 1 289.379 2.715 20 5 CFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000375946497 294418021 /nfs/dbraw/zinc/41/80/21/294418021.db2.gz HRILEXVQUPOBIK-GFCCVEGCSA-N 1 1 286.335 2.712 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047729 301330122 /nfs/dbraw/zinc/33/01/22/301330122.db2.gz NFQVTHLKXBSBHS-VXGBXAGGSA-N 1 1 295.358 2.961 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047727 301330340 /nfs/dbraw/zinc/33/03/40/301330340.db2.gz NFQVTHLKXBSBHS-NWDGAFQWSA-N 1 1 295.358 2.961 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163261940 322374650 /nfs/dbraw/zinc/37/46/50/322374650.db2.gz WIFGKLLJUUZTRC-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163261940 322374652 /nfs/dbraw/zinc/37/46/52/322374652.db2.gz WIFGKLLJUUZTRC-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580889491 325072659 /nfs/dbraw/zinc/07/26/59/325072659.db2.gz HYWKDGWXQDMZTL-UHFFFAOYSA-N 1 1 292.383 2.621 20 5 CFBDMO C[NH+](C)[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735764 325230305 /nfs/dbraw/zinc/23/03/05/325230305.db2.gz NNVICQPJCWUOPI-ZBFHGGJFSA-N 1 1 289.379 2.512 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000583082153 325259040 /nfs/dbraw/zinc/25/90/40/325259040.db2.gz HXNRMTQVNKDGAO-GDBMZVCRSA-N 1 1 290.363 2.986 20 5 CFBDMO CCC[N@@H+]1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594992103 500664927 /nfs/dbraw/zinc/66/49/27/500664927.db2.gz OYZIVPKVGWXCCE-ZQMJAJRESA-N 1 1 289.379 2.682 20 5 CFBDMO CCC[N@H+]1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594992103 500664928 /nfs/dbraw/zinc/66/49/28/500664928.db2.gz OYZIVPKVGWXCCE-ZQMJAJRESA-N 1 1 289.379 2.682 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000426525982 533822667 /nfs/dbraw/zinc/82/26/67/533822667.db2.gz SWYHZUTVVMQOAS-STQMWFEESA-N 1 1 276.336 2.978 20 5 CFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000413052494 534098329 /nfs/dbraw/zinc/09/83/29/534098329.db2.gz HSHZLAKIKWEKQE-MNOVXSKESA-N 1 1 296.346 2.804 20 5 CFBDMO C[C@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414913813 534175910 /nfs/dbraw/zinc/17/59/10/534175910.db2.gz WYBLLWGKGXWVNY-IEXSPKMKSA-N 1 1 289.379 2.587 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361545138 518938564 /nfs/dbraw/zinc/93/85/64/518938564.db2.gz ZPIGJGXZFLWRMS-GFCCVEGCSA-N 1 1 280.372 2.549 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130380964 519626437 /nfs/dbraw/zinc/62/64/37/519626437.db2.gz CIXUABDUDKZJOZ-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CC(C)CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052246103 519650726 /nfs/dbraw/zinc/65/07/26/519650726.db2.gz GDSFUCKLAKXOMG-UHFFFAOYSA-N 1 1 294.351 2.939 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156406372 519690363 /nfs/dbraw/zinc/69/03/63/519690363.db2.gz NOPZPLRUIYLNAO-JTQLQIEISA-N 1 1 267.304 2.629 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312859003 520479931 /nfs/dbraw/zinc/47/99/31/520479931.db2.gz RMYIEXQVSNOUGB-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312859003 520479938 /nfs/dbraw/zinc/47/99/38/520479938.db2.gz RMYIEXQVSNOUGB-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000172962225 520644057 /nfs/dbraw/zinc/64/40/57/520644057.db2.gz KMOXBWLIQFPLLC-PHIMTYICSA-N 1 1 264.300 2.822 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000195527348 520981576 /nfs/dbraw/zinc/98/15/76/520981576.db2.gz PEAOEMANDCWHOC-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CCC[C@H](NCC[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110127 521156385 /nfs/dbraw/zinc/15/63/85/521156385.db2.gz XKMWMINVAXHFQM-HNNXBMFYSA-N 1 1 279.384 2.977 20 5 CFBDMO CCC[C@H](NCC[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110127 521156393 /nfs/dbraw/zinc/15/63/93/521156393.db2.gz XKMWMINVAXHFQM-HNNXBMFYSA-N 1 1 279.384 2.977 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000353097459 521611535 /nfs/dbraw/zinc/61/15/35/521611535.db2.gz TUGQZIZOVAYNQN-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CC[C@@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523129 521991305 /nfs/dbraw/zinc/99/13/05/521991305.db2.gz PNDRVALWYDRUFF-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000059035241 522871092 /nfs/dbraw/zinc/87/10/92/522871092.db2.gz YFRXWUIUNNNOFA-UHFFFAOYSA-N 1 1 269.732 2.754 20 5 CFBDMO Cc1cccc(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000218848551 524674871 /nfs/dbraw/zinc/67/48/71/524674871.db2.gz ZAPMBZBZCQORSQ-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO C[C@@H]1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391042 525236028 /nfs/dbraw/zinc/23/60/28/525236028.db2.gz ZZAJCRQRVYVUEO-HIFRSBDPSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1ccc([C@@H](C)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168536867 525745092 /nfs/dbraw/zinc/74/50/92/525745092.db2.gz NVVBGZKZJLJBEZ-VXGBXAGGSA-N 1 1 265.357 2.504 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305234632 527401042 /nfs/dbraw/zinc/40/10/42/527401042.db2.gz NCUTXJZSZZQVGS-QGZVFWFLSA-N 1 1 298.342 2.518 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425956902 528095350 /nfs/dbraw/zinc/09/53/50/528095350.db2.gz GJNAUKNUNZEQNB-GXTWGEPZSA-N 1 1 292.379 2.921 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851515 528309096 /nfs/dbraw/zinc/30/90/96/528309096.db2.gz OZLIHBOXGPRSDI-VSKVDJIOSA-N 1 1 277.368 2.571 20 5 CFBDMO CC(C)[N@@H+](CC[C@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000450288750 535073927 /nfs/dbraw/zinc/07/39/27/535073927.db2.gz UCPAASJVJVPEAE-LBPRGKRZSA-N 1 1 266.341 2.576 20 5 CFBDMO CCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000746047019 574132353 /nfs/dbraw/zinc/13/23/53/574132353.db2.gz IJOQQPXOIRNWSZ-JTQLQIEISA-N 1 1 274.324 2.731 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860569 574270097 /nfs/dbraw/zinc/27/00/97/574270097.db2.gz QTKSPDOYVIWOHH-GHMZBOCLSA-N 1 1 274.324 2.632 20 5 CFBDMO CC[N@@H+](CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749937850 574316474 /nfs/dbraw/zinc/31/64/74/574316474.db2.gz GNXPAUZXBKONKC-UHFFFAOYSA-N 1 1 291.355 2.583 20 5 CFBDMO Cc1nn(C[N@H+](C)CCC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749943414 574317263 /nfs/dbraw/zinc/31/72/63/574317263.db2.gz FQPBECSXOKNBDV-UHFFFAOYSA-N 1 1 291.355 2.583 20 5 CFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074347 574323379 /nfs/dbraw/zinc/32/33/79/574323379.db2.gz WGZWGWXGBQIRSO-LNSITVRQSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000742428021 574329803 /nfs/dbraw/zinc/32/98/03/574329803.db2.gz YLUVTFWGUXCQNO-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751925069 574385086 /nfs/dbraw/zinc/38/50/86/574385086.db2.gz LKYZSOXZJRJAMD-LBPRGKRZSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068627 617935356 /nfs/dbraw/zinc/93/53/56/617935356.db2.gz REMRCBVYBFDXRQ-CMPLNLGQSA-N 1 1 294.351 2.929 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000307763684 618094878 /nfs/dbraw/zinc/09/48/78/618094878.db2.gz JNGGIQZHELZWFO-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@@H+](CCNc1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000234273621 618145291 /nfs/dbraw/zinc/14/52/91/618145291.db2.gz WNRWIXROFDMHLY-UHFFFAOYSA-N 1 1 287.722 2.893 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000178965754 618274578 /nfs/dbraw/zinc/27/45/78/618274578.db2.gz HKBWBOGOIKYDSM-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351014 618376503 /nfs/dbraw/zinc/37/65/03/618376503.db2.gz XAZHCHIQDJYTEW-ZOWXZIJZSA-N 1 1 278.352 2.891 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NCc1cc(N(C)C)cc[nH+]1 ZINC000895466904 618600945 /nfs/dbraw/zinc/60/09/45/618600945.db2.gz XULOMVGGVIFGOJ-UHFFFAOYSA-N 1 1 286.335 2.976 20 5 CFBDMO C[NH2+]CCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070190014 625280222 /nfs/dbraw/zinc/28/02/22/625280222.db2.gz QZLZSZUCISSSGG-UHFFFAOYSA-N 1 1 295.358 2.555 20 5 CFBDMO CC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103457672 618777719 /nfs/dbraw/zinc/77/77/19/618777719.db2.gz KTFAPXJJJFVJAS-UHFFFAOYSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677237 619154050 /nfs/dbraw/zinc/15/40/50/619154050.db2.gz RCLAPXHPXVRWRF-ZYHUDNBSSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000895482303 619540991 /nfs/dbraw/zinc/54/09/91/619540991.db2.gz ULKLYBVDPVLKPU-NSHDSACASA-N 1 1 294.351 2.787 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000895572119 619556895 /nfs/dbraw/zinc/55/68/95/619556895.db2.gz SKCSIEYESODLPI-VHSXEESVSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)s1 ZINC000895572119 619556897 /nfs/dbraw/zinc/55/68/97/619556897.db2.gz SKCSIEYESODLPI-VHSXEESVSA-N 1 1 299.421 2.648 20 5 CFBDMO Cc1cc(CO)cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000895667319 619581704 /nfs/dbraw/zinc/58/17/04/619581704.db2.gz IAAJZXVUEJBNCN-LLVKDONJSA-N 1 1 287.319 2.964 20 5 CFBDMO C[C@@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895735056 619596287 /nfs/dbraw/zinc/59/62/87/619596287.db2.gz CGIAVAADMWBGPB-PWSUYJOCSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000895738711 619598665 /nfs/dbraw/zinc/59/86/65/619598665.db2.gz YQTZZPAPAPMRPH-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2cccc2C1 ZINC000896760027 619808877 /nfs/dbraw/zinc/80/88/77/619808877.db2.gz HPUIIVYNQXHRRG-ZZXKWVIFSA-N 1 1 283.331 2.925 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2cccc2C1 ZINC000896760027 619808878 /nfs/dbraw/zinc/80/88/78/619808878.db2.gz HPUIIVYNQXHRRG-ZZXKWVIFSA-N 1 1 283.331 2.925 20 5 CFBDMO C[N@H+]1C[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912669 619882829 /nfs/dbraw/zinc/88/28/29/619882829.db2.gz CHUQMEFYKQUXSP-YGRLFVJLSA-N 1 1 295.770 2.636 20 5 CFBDMO Cc1c[nH]nc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463759 620177191 /nfs/dbraw/zinc/17/71/91/620177191.db2.gz ILQPNDQXDQIDJM-SNVBAGLBSA-N 1 1 274.324 2.520 20 5 CFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564630 625417614 /nfs/dbraw/zinc/41/76/14/625417614.db2.gz IHMWMSLRODSRHI-BXUZGUMPSA-N 1 1 278.352 2.891 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]2C2CCCC2)c1 ZINC000899912915 620612705 /nfs/dbraw/zinc/61/27/05/620612705.db2.gz SWMMRSQFVBKBEX-HOTGVXAUSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccccc1[N+](=O)[O-] ZINC000902430068 621076446 /nfs/dbraw/zinc/07/64/46/621076446.db2.gz OAXLHTRSNKDHGR-BPLDGKMQSA-N 1 1 291.395 2.948 20 5 CFBDMO C[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431627 621077882 /nfs/dbraw/zinc/07/78/82/621077882.db2.gz SZXXWKIYJKSQHP-UGFHNGPFSA-N 1 1 289.379 2.558 20 5 CFBDMO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431627 621077885 /nfs/dbraw/zinc/07/78/85/621077885.db2.gz SZXXWKIYJKSQHP-UGFHNGPFSA-N 1 1 289.379 2.558 20 5 CFBDMO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc([N+](=O)[O-])cc1 ZINC000902443152 621081631 /nfs/dbraw/zinc/08/16/31/621081631.db2.gz KETUDXKNGMLGHA-YMRXKLBXSA-N 1 1 297.358 2.870 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287328 621318335 /nfs/dbraw/zinc/31/83/35/621318335.db2.gz NXZGUIUNGVLBSU-ZWNOBZJWSA-N 1 1 272.308 2.587 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286842 621318456 /nfs/dbraw/zinc/31/84/56/621318456.db2.gz ICZMUSOUUHCTFD-HWWQOWPSSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286842 621318460 /nfs/dbraw/zinc/31/84/60/621318460.db2.gz ICZMUSOUUHCTFD-HWWQOWPSSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288185 621319134 /nfs/dbraw/zinc/31/91/34/621319134.db2.gz UJIRTFZIOFBGBM-OUCADQQQSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288185 621319137 /nfs/dbraw/zinc/31/91/37/621319137.db2.gz UJIRTFZIOFBGBM-OUCADQQQSA-N 1 1 289.379 2.871 20 5 CFBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000905158714 621705962 /nfs/dbraw/zinc/70/59/62/621705962.db2.gz HXUASYPBCDPRMJ-UHFFFAOYSA-N 1 1 266.341 2.539 20 5 CFBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1SC(F)(F)F ZINC000905698904 621829852 /nfs/dbraw/zinc/82/98/52/621829852.db2.gz QIAHWQSPSVVZAY-UHFFFAOYSA-N 1 1 280.271 2.665 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053772 625569062 /nfs/dbraw/zinc/56/90/62/625569062.db2.gz UYWWFAWFNYNUJD-NSHDSACASA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000164246671 622942936 /nfs/dbraw/zinc/94/29/36/622942936.db2.gz QCMLGABFJZSRHY-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351083 623266123 /nfs/dbraw/zinc/26/61/23/623266123.db2.gz WALKLBRQKLLUCJ-MRXNPFEDSA-N 1 1 286.331 2.760 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249953 623271996 /nfs/dbraw/zinc/27/19/96/623271996.db2.gz NKYCNSBEHXHXQT-HUUCEWRRSA-N 1 1 296.342 2.859 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249941 623272682 /nfs/dbraw/zinc/27/26/82/623272682.db2.gz NKYCNSBEHXHXQT-GJZGRUSLSA-N 1 1 296.342 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000063002521 623312774 /nfs/dbraw/zinc/31/27/74/623312774.db2.gz RDGNZUSGLHLAKA-AWEZNQCLSA-N 1 1 290.294 2.557 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000888261450 623453752 /nfs/dbraw/zinc/45/37/52/623453752.db2.gz QTAYBMUQVMNMQP-RYUDHWBXSA-N 1 1 292.335 2.539 20 5 CFBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929751442 623561974 /nfs/dbraw/zinc/56/19/74/623561974.db2.gz VMSLUXCYYMDDPO-AWEZNQCLSA-N 1 1 268.332 2.601 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1Cl ZINC000825336974 623675297 /nfs/dbraw/zinc/67/52/97/623675297.db2.gz BLXPGRQDRZXOKU-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761107762 623721437 /nfs/dbraw/zinc/72/14/37/623721437.db2.gz HNHFSMRIXDJETE-MRVPVSSYSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761107762 623721445 /nfs/dbraw/zinc/72/14/45/623721445.db2.gz HNHFSMRIXDJETE-MRVPVSSYSA-N 1 1 274.242 2.821 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153290679 623916845 /nfs/dbraw/zinc/91/68/45/623916845.db2.gz JMYNHMAUKXZOSA-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153290679 623916848 /nfs/dbraw/zinc/91/68/48/623916848.db2.gz JMYNHMAUKXZOSA-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000831971969 625198791 /nfs/dbraw/zinc/19/87/91/625198791.db2.gz YRPIVNHZBDOONY-CYBMUJFWSA-N 1 1 295.358 2.650 20 5 CFBDMO C[N@H+](CCC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000101539083 625719825 /nfs/dbraw/zinc/71/98/25/625719825.db2.gz BNRWPRHKJQHVLV-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO C[N@@H+](CCC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000101539083 625719830 /nfs/dbraw/zinc/71/98/30/625719830.db2.gz BNRWPRHKJQHVLV-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO COc1ccc(C[N@@H+](CC[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000929333123 626406651 /nfs/dbraw/zinc/40/66/51/626406651.db2.gz VWLMBBVHQJPWEO-GFCCVEGCSA-N 1 1 278.352 2.572 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669291 626551712 /nfs/dbraw/zinc/55/17/12/626551712.db2.gz NPVKDCWFPNFDMC-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669291 626551713 /nfs/dbraw/zinc/55/17/13/626551713.db2.gz NPVKDCWFPNFDMC-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675463 626551769 /nfs/dbraw/zinc/55/17/69/626551769.db2.gz PJAVSFMAWWIPKH-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675463 626551770 /nfs/dbraw/zinc/55/17/70/626551770.db2.gz PJAVSFMAWWIPKH-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759878321 626699595 /nfs/dbraw/zinc/69/95/95/626699595.db2.gz WFHGTGMPMKJJMT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026012 627114290 /nfs/dbraw/zinc/11/42/90/627114290.db2.gz BXDCIBWTTWGBPE-WDEREUQCSA-N 1 1 288.351 2.941 20 5 CFBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000768771939 627370923 /nfs/dbraw/zinc/37/09/23/627370923.db2.gz MCXPHKZOCURHLT-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000768771950 627371024 /nfs/dbraw/zinc/37/10/24/627371024.db2.gz MCXPHKZOCURHLT-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000770702385 627543086 /nfs/dbraw/zinc/54/30/86/627543086.db2.gz YPWYBMMHTWANEX-AWEZNQCLSA-N 1 1 276.336 2.504 20 5 CFBDMO CC(C)CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277936 628125185 /nfs/dbraw/zinc/12/51/85/628125185.db2.gz QZPMINQKTHPROP-AWEZNQCLSA-N 1 1 266.341 2.606 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776271267 628125250 /nfs/dbraw/zinc/12/52/50/628125250.db2.gz JPPZANGZBWJTDW-OAHLLOKOSA-N 1 1 290.319 2.662 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581978 628160459 /nfs/dbraw/zinc/16/04/59/628160459.db2.gz KLTSVIMLAVRVKF-RISCZKNCSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776584293 628161620 /nfs/dbraw/zinc/16/16/20/628161620.db2.gz KIBVIDBZZYHBLC-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO CCc1nocc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852097420 634650859 /nfs/dbraw/zinc/65/08/59/634650859.db2.gz VDZSQHUTNBAVDM-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000779858788 628414894 /nfs/dbraw/zinc/41/48/94/628414894.db2.gz FLGZEZSMTBFDIG-LBPRGKRZSA-N 1 1 266.345 2.568 20 5 CFBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350112 628808230 /nfs/dbraw/zinc/80/82/30/628808230.db2.gz YETSUWSORWQWJJ-DOMZBBRYSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC[N+](=O)[O-])o1 ZINC000791052399 629284335 /nfs/dbraw/zinc/28/43/35/629284335.db2.gz MVZPKNKXESAAFO-LBPRGKRZSA-N 1 1 252.314 2.782 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000791055271 629284968 /nfs/dbraw/zinc/28/49/68/629284968.db2.gz RGZLYCZBZXYIRI-HNNXBMFYSA-N 1 1 273.336 2.972 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000791055271 629284969 /nfs/dbraw/zinc/28/49/69/629284969.db2.gz RGZLYCZBZXYIRI-HNNXBMFYSA-N 1 1 273.336 2.972 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1F ZINC000792925343 629466755 /nfs/dbraw/zinc/46/67/55/629466755.db2.gz JYFOYMLKYQSECU-ZDUSSCGKSA-N 1 1 296.342 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(F)CC2)c1 ZINC000793007744 629474406 /nfs/dbraw/zinc/47/44/06/629474406.db2.gz BEXKTUYTXQVFCR-UHFFFAOYSA-N 1 1 258.680 2.840 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423209 634742032 /nfs/dbraw/zinc/74/20/32/634742032.db2.gz WWHNFBLQWJRXLP-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793258614 629515723 /nfs/dbraw/zinc/51/57/23/629515723.db2.gz LDTWLCFMZDSRFV-SNVBAGLBSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852464449 634751400 /nfs/dbraw/zinc/75/14/00/634751400.db2.gz PJROBQULVBSZOA-GASCZTMLSA-N 1 1 294.326 2.592 20 5 CFBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852464449 634751409 /nfs/dbraw/zinc/75/14/09/634751409.db2.gz PJROBQULVBSZOA-GASCZTMLSA-N 1 1 294.326 2.592 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[Si](C)(C)C ZINC000796115169 629877665 /nfs/dbraw/zinc/87/76/65/629877665.db2.gz YHLIYWMKQFLQGA-UHFFFAOYSA-N 1 1 266.417 2.947 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533562 634772673 /nfs/dbraw/zinc/77/26/73/634772673.db2.gz AZMWAGSCWOJFRX-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534544 634772818 /nfs/dbraw/zinc/77/28/18/634772818.db2.gz MMLMWVONCUPTAW-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534544 634772824 /nfs/dbraw/zinc/77/28/24/634772824.db2.gz MMLMWVONCUPTAW-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545219 630456036 /nfs/dbraw/zinc/45/60/36/630456036.db2.gz KXMYOXXDEYPUJC-UEKVPHQBSA-N 1 1 296.342 2.715 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778551 631047400 /nfs/dbraw/zinc/04/74/00/631047400.db2.gz ZRXUDHNMZHZDTD-GDBMZVCRSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1C ZINC000841693687 631453852 /nfs/dbraw/zinc/45/38/52/631453852.db2.gz VGNIJACHAVJQHN-WOPDTQHZSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000842166206 631558182 /nfs/dbraw/zinc/55/81/82/631558182.db2.gz JNJXHMQHWZHAPP-BLTAXRJOSA-N 1 1 278.352 2.605 20 5 CFBDMO CN(CC[C@H]1CC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471750 631639571 /nfs/dbraw/zinc/63/95/71/631639571.db2.gz XDWHILKCTKPDFL-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000843187448 631890163 /nfs/dbraw/zinc/89/01/63/631890163.db2.gz QJKXSKUMNWFVEH-LBPRGKRZSA-N 1 1 290.323 2.999 20 5 CFBDMO Cc1c(-c2noc([C@H]([NH3+])CC(F)F)n2)cccc1[N+](=O)[O-] ZINC000843238750 631910272 /nfs/dbraw/zinc/91/02/72/631910272.db2.gz XXOUZOXQZSEUPN-MRVPVSSYSA-N 1 1 298.249 2.608 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226582 632041167 /nfs/dbraw/zinc/04/11/67/632041167.db2.gz YISLXMVLIDJNJM-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814226582 632041173 /nfs/dbraw/zinc/04/11/73/632041173.db2.gz YISLXMVLIDJNJM-CQSZACIVSA-N 1 1 286.335 2.628 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451240 632217021 /nfs/dbraw/zinc/21/70/21/632217021.db2.gz NQLGNFCUPKXHMB-INTQDDNPSA-N 1 1 268.263 2.853 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451240 632217023 /nfs/dbraw/zinc/21/70/23/632217023.db2.gz NQLGNFCUPKXHMB-INTQDDNPSA-N 1 1 268.263 2.853 20 5 CFBDMO [NH3+]CCC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000844911123 632333633 /nfs/dbraw/zinc/33/36/33/632333633.db2.gz KUHFJPOWNKCLAB-UHFFFAOYSA-N 1 1 297.786 2.809 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660595 632506011 /nfs/dbraw/zinc/50/60/11/632506011.db2.gz JPOFEVVVBXAJSE-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000817369078 632615863 /nfs/dbraw/zinc/61/58/63/632615863.db2.gz QIGSROOWRCGXQU-CQSZACIVSA-N 1 1 292.383 2.878 20 5 CFBDMO C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530850 633279179 /nfs/dbraw/zinc/27/91/79/633279179.db2.gz HLZSZWGITYFWFW-DOMZBBRYSA-N 1 1 289.379 2.656 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530850 633279181 /nfs/dbraw/zinc/27/91/81/633279181.db2.gz HLZSZWGITYFWFW-DOMZBBRYSA-N 1 1 289.379 2.656 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000852772941 634831945 /nfs/dbraw/zinc/83/19/45/634831945.db2.gz SUMAUWRUJXBSKN-NSHDSACASA-N 1 1 293.323 2.981 20 5 CFBDMO CC[C@@H]([NH2+]C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000854142321 635229007 /nfs/dbraw/zinc/22/90/07/635229007.db2.gz JFYBCUBBORHTRP-LLVKDONJSA-N 1 1 290.323 2.548 20 5 CFBDMO Cc1c(C[NH2+]Cc2cn(C)nc2Cl)cccc1[N+](=O)[O-] ZINC000856782283 635858397 /nfs/dbraw/zinc/85/83/97/635858397.db2.gz ZXHORIVNRQUNSM-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512578 636017508 /nfs/dbraw/zinc/01/75/08/636017508.db2.gz NCYJDEQTLAAUDP-GXTWGEPZSA-N 1 1 286.335 2.627 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540444 650237442 /nfs/dbraw/zinc/23/74/42/650237442.db2.gz TYJSLLGOIYPIOQ-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000863677802 637742201 /nfs/dbraw/zinc/74/22/01/637742201.db2.gz LMZDWVXBZPGOPM-MRVPVSSYSA-N 1 1 280.284 2.674 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c(C(F)F)c1 ZINC000865475743 638361498 /nfs/dbraw/zinc/36/14/98/638361498.db2.gz ZNNVWIPJTUOKGT-UHFFFAOYSA-N 1 1 297.305 2.817 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCC=CO3)c2c1 ZINC000865709541 638528270 /nfs/dbraw/zinc/52/82/70/638528270.db2.gz XIFGEBOYKXFYIO-GFCCVEGCSA-N 1 1 285.303 2.670 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1[N+](=O)[O-] ZINC000865787267 638574362 /nfs/dbraw/zinc/57/43/62/638574362.db2.gz JVLWOOCTSBJFRE-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1[N+](=O)[O-] ZINC000865786832 638574575 /nfs/dbraw/zinc/57/45/75/638574575.db2.gz FJYSGLBNCPZABM-UHFFFAOYSA-N 1 1 286.335 2.724 20 5 CFBDMO C[N@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CCC1(C)C ZINC000866112436 638743462 /nfs/dbraw/zinc/74/34/62/638743462.db2.gz AHZDYKILGZBOGV-UHFFFAOYSA-N 1 1 298.774 2.564 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866207939 638770983 /nfs/dbraw/zinc/77/09/83/638770983.db2.gz RUYKSSNBSFTBBZ-CMPLNLGQSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(F)F ZINC000866364568 638804736 /nfs/dbraw/zinc/80/47/36/638804736.db2.gz RMQIPBOKDDFEKA-QMMMGPOBSA-N 1 1 276.258 2.910 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)CC2CC2)cc1[N+](=O)[O-] ZINC000871735431 641430482 /nfs/dbraw/zinc/43/04/82/641430482.db2.gz MHUFFUNAMKEZNC-UHFFFAOYSA-N 1 1 263.297 2.702 20 5 CFBDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036323 641568110 /nfs/dbraw/zinc/56/81/10/641568110.db2.gz RKHBWRUDVJEPMF-RYUDHWBXSA-N 1 1 295.358 2.726 20 5 CFBDMO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089888 641623192 /nfs/dbraw/zinc/62/31/92/641623192.db2.gz HLQWKLDRSMROSA-BHYNMZESSA-N 1 1 282.315 2.952 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000872819327 641946270 /nfs/dbraw/zinc/94/62/70/641946270.db2.gz XYRIVRXTWRMAKD-SNVBAGLBSA-N 1 1 268.361 2.671 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020042 641986357 /nfs/dbraw/zinc/98/63/57/641986357.db2.gz BZGBSDVIEYDORC-AWEZNQCLSA-N 1 1 291.395 2.725 20 5 CFBDMO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000873297330 642127558 /nfs/dbraw/zinc/12/75/58/642127558.db2.gz WJVCEARTPRKKGH-UTUOFQBUSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000873297329 642127626 /nfs/dbraw/zinc/12/76/26/642127626.db2.gz WJVCEARTPRKKGH-IJLUTSLNSA-N 1 1 263.341 2.515 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876609938 642943495 /nfs/dbraw/zinc/94/34/95/642943495.db2.gz UHKPIORKAOQORL-CYBMUJFWSA-N 1 1 278.352 2.822 20 5 CFBDMO CCC[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876739077 642988213 /nfs/dbraw/zinc/98/82/13/642988213.db2.gz DOIDKDXZPNIGKY-CYBMUJFWSA-N 1 1 278.352 2.768 20 5 CFBDMO CO[C@@](C)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000876740881 642989030 /nfs/dbraw/zinc/98/90/30/642989030.db2.gz QAYUPOYHBYZLMW-INIZCTEOSA-N 1 1 290.363 2.768 20 5 CFBDMO COc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000877557835 643358048 /nfs/dbraw/zinc/35/80/48/643358048.db2.gz QNXUYWFRBFTQAF-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000877646456 643429636 /nfs/dbraw/zinc/42/96/36/643429636.db2.gz IKRYXANRDRJMQS-RISCZKNCSA-N 1 1 292.379 2.662 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533481 643931702 /nfs/dbraw/zinc/93/17/02/643931702.db2.gz POCBLYIZDWLZEB-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533481 643931708 /nfs/dbraw/zinc/93/17/08/643931708.db2.gz POCBLYIZDWLZEB-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320823 644226120 /nfs/dbraw/zinc/22/61/20/644226120.db2.gz MCSNIXPUCGQUNK-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320819 644226306 /nfs/dbraw/zinc/22/63/06/644226306.db2.gz MCSNIXPUCGQUNK-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320821 644226360 /nfs/dbraw/zinc/22/63/60/644226360.db2.gz MCSNIXPUCGQUNK-FZMZJTMJSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322281 644228254 /nfs/dbraw/zinc/22/82/54/644228254.db2.gz UKWKQHQBMASILZ-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322281 644228258 /nfs/dbraw/zinc/22/82/58/644228258.db2.gz UKWKQHQBMASILZ-GWCFXTLKSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879559925 644321004 /nfs/dbraw/zinc/32/10/04/644321004.db2.gz TZOUCSMFXQRVSZ-GHMZBOCLSA-N 1 1 296.367 2.919 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000879565930 644327609 /nfs/dbraw/zinc/32/76/09/644327609.db2.gz RLKBERVUSFBGRU-RYUDHWBXSA-N 1 1 296.367 2.919 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619656 644350068 /nfs/dbraw/zinc/35/00/68/644350068.db2.gz YYDCCYIHSUMWDW-NEPJUHHUSA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879625381 644353263 /nfs/dbraw/zinc/35/32/63/644353263.db2.gz DEBJAHIVJHBZRY-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960751 644476991 /nfs/dbraw/zinc/47/69/91/644476991.db2.gz MHZYBLNNFWONTA-LBPRGKRZSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000880141244 644550629 /nfs/dbraw/zinc/55/06/29/644550629.db2.gz OJINHVAUIQXVIX-LSDHHAIUSA-N 1 1 289.379 2.572 20 5 CFBDMO COCC1([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000880186584 644569294 /nfs/dbraw/zinc/56/92/94/644569294.db2.gz HGFWYSRDFFQHTH-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO COCC1([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000880186584 644569298 /nfs/dbraw/zinc/56/92/98/644569298.db2.gz HGFWYSRDFFQHTH-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538921 644757219 /nfs/dbraw/zinc/75/72/19/644757219.db2.gz PGMLFPGVNFNVEH-LRDDRELGSA-N 1 1 298.346 2.726 20 5 CFBDMO CC(=O)c1c(NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000881961562 645163603 /nfs/dbraw/zinc/16/36/03/645163603.db2.gz ZJSZGWGSAFBKNB-LBPRGKRZSA-N 1 1 291.351 2.551 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882387073 645296381 /nfs/dbraw/zinc/29/63/81/645296381.db2.gz UFNISXSFXCUWQX-SNVBAGLBSA-N 1 1 284.335 2.661 20 5 CFBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756004 645563524 /nfs/dbraw/zinc/56/35/24/645563524.db2.gz GDOLQHAEEVTEBM-NEPJUHHUSA-N 1 1 266.345 2.649 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130787582 645570445 /nfs/dbraw/zinc/57/04/45/645570445.db2.gz ILIVNWQHJIYPDE-WCQYABFASA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C(F)F ZINC000883400091 645796364 /nfs/dbraw/zinc/79/63/64/645796364.db2.gz DEPSZFKYCOONJJ-HTQZYQBOSA-N 1 1 276.258 2.908 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000132933337 645988477 /nfs/dbraw/zinc/98/84/77/645988477.db2.gz IJPBSSYRAWDDLP-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000132933337 645988479 /nfs/dbraw/zinc/98/84/79/645988479.db2.gz IJPBSSYRAWDDLP-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000133335514 646075117 /nfs/dbraw/zinc/07/51/17/646075117.db2.gz LQCLQTNPKLODBO-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000133335514 646075124 /nfs/dbraw/zinc/07/51/24/646075124.db2.gz LQCLQTNPKLODBO-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO CCSCC[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886073371 646855955 /nfs/dbraw/zinc/85/59/55/646855955.db2.gz UEKZTLZQDLDVSX-NSHDSACASA-N 1 1 283.397 2.953 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000886263944 646938614 /nfs/dbraw/zinc/93/86/14/646938614.db2.gz KXWJJTOAGHTCAF-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO COc1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886516703 647025599 /nfs/dbraw/zinc/02/55/99/647025599.db2.gz VEFYBAGFLRMXRN-ZDUSSCGKSA-N 1 1 299.330 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOC2CC2)C2CC2)cc1 ZINC000930141272 649192659 /nfs/dbraw/zinc/19/26/59/649192659.db2.gz WQGNWZUUDIOGOQ-UHFFFAOYSA-N 1 1 276.336 2.738 20 5 CFBDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC[N+](=O)[O-] ZINC000930762485 649322644 /nfs/dbraw/zinc/32/26/44/649322644.db2.gz FLGVLAWUGUBVKZ-UHFFFAOYSA-N 1 1 290.285 2.847 20 5 CFBDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931257102 649397935 /nfs/dbraw/zinc/39/79/35/649397935.db2.gz PXCOMUJDLGOTDJ-CYBMUJFWSA-N 1 1 266.316 2.670 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C)CC1 ZINC000932348536 649581832 /nfs/dbraw/zinc/58/18/32/649581832.db2.gz GNDHEGYWVXCRIR-NEPJUHHUSA-N 1 1 264.325 2.767 20 5 CFBDMO CCO[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979754 649666467 /nfs/dbraw/zinc/66/64/67/649666467.db2.gz QQLVIBWBDQLGCP-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115156 649751569 /nfs/dbraw/zinc/75/15/69/649751569.db2.gz FNFNMMDBLOIVDS-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934115156 649751572 /nfs/dbraw/zinc/75/15/72/649751572.db2.gz FNFNMMDBLOIVDS-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000934301379 649770326 /nfs/dbraw/zinc/77/03/26/649770326.db2.gz FVMPSCZFEGYUDK-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO Cc1[nH]c(CNc2c(F)cc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000724687359 770977204 /nfs/dbraw/zinc/97/72/04/770977204.db2.gz FEDCEUQZORZAQP-UHFFFAOYSA-N 1 1 282.250 2.825 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667848 775548827 /nfs/dbraw/zinc/54/88/27/775548827.db2.gz VFAMSRBVKKVDRD-NSHDSACASA-N 1 1 282.315 2.986 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1OC1CC[NH+](CCF)CC1 ZINC001225668330 775550177 /nfs/dbraw/zinc/55/01/77/775550177.db2.gz YQGKBSFJWAJDIU-UHFFFAOYSA-N 1 1 286.278 2.547 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000694707230 775552904 /nfs/dbraw/zinc/55/29/04/775552904.db2.gz NYIATBZRQCMCAP-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000694707230 775552910 /nfs/dbraw/zinc/55/29/10/775552910.db2.gz NYIATBZRQCMCAP-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001225683701 775557570 /nfs/dbraw/zinc/55/75/70/775557570.db2.gz VPCIDUZZPBWSDT-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001225712809 775570260 /nfs/dbraw/zinc/57/02/60/775570260.db2.gz KDQHRVLQQIKEHT-JTQLQIEISA-N 1 1 293.710 2.839 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001225776693 775589417 /nfs/dbraw/zinc/58/94/17/775589417.db2.gz LASSHGLTJGRYCY-ILWJIGKKSA-N 1 1 298.289 2.877 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225916116 775633495 /nfs/dbraw/zinc/63/34/95/775633495.db2.gz NKEWXMONWMOZMS-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225914953 775633509 /nfs/dbraw/zinc/63/35/09/775633509.db2.gz DAUFNRQUQBXIBY-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1F ZINC001225945428 775643270 /nfs/dbraw/zinc/64/32/70/775643270.db2.gz GFMYANAOKZAKJQ-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001226130744 775709913 /nfs/dbraw/zinc/70/99/13/775709913.db2.gz UDNXFBXDCFDPOS-JGPRNRPPSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744865 775944970 /nfs/dbraw/zinc/94/49/70/775944970.db2.gz VGYOLQNIEHLPLO-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918561 776017752 /nfs/dbraw/zinc/01/77/52/776017752.db2.gz ZRQQRMGDTMEJRN-VIFPVBQESA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226950397 776030946 /nfs/dbraw/zinc/03/09/46/776030946.db2.gz IZUPIYXVKMTUAR-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226971461 776040358 /nfs/dbraw/zinc/04/03/58/776040358.db2.gz NIBXALGVPLXUBM-GFCCVEGCSA-N 1 1 264.325 2.765 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001167754375 776087444 /nfs/dbraw/zinc/08/74/44/776087444.db2.gz XCTNVQOUYDCKMU-NSHDSACASA-N 1 1 296.346 2.805 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001227187675 776129298 /nfs/dbraw/zinc/12/92/98/776129298.db2.gz PVKFSRCFQPAXIU-ZDUSSCGKSA-N 1 1 294.351 2.855 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523568 776218812 /nfs/dbraw/zinc/21/88/12/776218812.db2.gz MORSNOPHYSIWGF-CQSZACIVSA-N 1 1 264.325 2.846 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC001227523997 776220436 /nfs/dbraw/zinc/22/04/36/776220436.db2.gz VNFCRJAKAPYUAT-JYAVWHMHSA-N 1 1 276.336 2.704 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056646 776379801 /nfs/dbraw/zinc/37/98/01/776379801.db2.gz FNKXJOXQQYRKHH-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228834061 776625830 /nfs/dbraw/zinc/62/58/30/776625830.db2.gz ZNCPZCDLDHHZAC-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228933138 776662015 /nfs/dbraw/zinc/66/20/15/776662015.db2.gz BJTYFHOZJZLEKH-SECBINFHSA-N 1 1 285.731 2.505 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229118768 776726047 /nfs/dbraw/zinc/72/60/47/776726047.db2.gz HSQTYCIIRAQQFS-BCNIOPEESA-N 1 1 276.336 2.797 20 5 CFBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)C1 ZINC001229177986 776745608 /nfs/dbraw/zinc/74/56/08/776745608.db2.gz PPSJVKPYXXSUPB-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229177986 776745613 /nfs/dbraw/zinc/74/56/13/776745613.db2.gz PPSJVKPYXXSUPB-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342544 776785490 /nfs/dbraw/zinc/78/54/90/776785490.db2.gz BNBLDYCEWZIBAX-ZDUSSCGKSA-N 1 1 287.319 2.616 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376528 776794187 /nfs/dbraw/zinc/79/41/87/776794187.db2.gz JKWQPYRWMDXVHN-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229487767 776827581 /nfs/dbraw/zinc/82/75/81/776827581.db2.gz SQKHZAHQQXWYTO-NSHDSACASA-N 1 1 291.307 2.599 20 5 CFBDMO Cc1cc(O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001229749695 776886420 /nfs/dbraw/zinc/88/64/20/776886420.db2.gz GWXWGZWVUBMVKF-ZSBIGDGJSA-N 1 1 292.335 2.613 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622058 777028200 /nfs/dbraw/zinc/02/82/00/777028200.db2.gz GGKACJHLZKYBEQ-LBPRGKRZSA-N 1 1 272.304 2.831 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000710354977 777069757 /nfs/dbraw/zinc/06/97/57/777069757.db2.gz BDJUWZDJDWJNAO-SECBINFHSA-N 1 1 284.747 2.539 20 5 CFBDMO C[C@@H]1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000697231050 778167673 /nfs/dbraw/zinc/16/76/73/778167673.db2.gz AFLBXDHXNOEZJL-NXEZZACHSA-N 1 1 298.770 2.697 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870264 778317237 /nfs/dbraw/zinc/31/72/37/778317237.db2.gz HFFKPLFDYHTNMX-ZDUSSCGKSA-N 1 1 278.352 2.993 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1F ZINC000711477911 781440936 /nfs/dbraw/zinc/44/09/36/781440936.db2.gz SQYSKWRHLRWRKJ-JTQLQIEISA-N 1 1 256.252 2.525 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC001231061957 781899813 /nfs/dbraw/zinc/89/98/13/781899813.db2.gz WNBOPYCEEYWLAR-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO Cc1c[nH]c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594934567 349517529 /nfs/dbraw/zinc/51/75/29/349517529.db2.gz CKJVIXZIFYJKLR-LLVKDONJSA-N 1 1 274.324 2.786 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000594961763 349531491 /nfs/dbraw/zinc/53/14/91/349531491.db2.gz HMZVKMXLQJDMRC-ZDUSSCGKSA-N 1 1 295.358 2.696 20 5 CFBDMO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594961763 349531495 /nfs/dbraw/zinc/53/14/95/349531495.db2.gz HMZVKMXLQJDMRC-ZDUSSCGKSA-N 1 1 295.358 2.696 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125032068 187166475 /nfs/dbraw/zinc/16/64/75/187166475.db2.gz JTHFJOVAIKXESS-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125032068 187166476 /nfs/dbraw/zinc/16/64/76/187166476.db2.gz JTHFJOVAIKXESS-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CCOc1ccc(NCc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000595001117 349544130 /nfs/dbraw/zinc/54/41/30/349544130.db2.gz QNOFLAXJFSSGOQ-UHFFFAOYSA-N 1 1 287.319 2.731 20 5 CFBDMO CC(C)[N@H+](Cc1ccno1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067975858 346830027 /nfs/dbraw/zinc/83/00/27/346830027.db2.gz UCGXLMIQWQKKBI-UHFFFAOYSA-N 1 1 275.308 2.993 20 5 CFBDMO CC(C)[N@@H+](Cc1ccno1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067975858 346830028 /nfs/dbraw/zinc/83/00/28/346830028.db2.gz UCGXLMIQWQKKBI-UHFFFAOYSA-N 1 1 275.308 2.993 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nccn1C ZINC000595110223 349583206 /nfs/dbraw/zinc/58/32/06/349583206.db2.gz YZYNDQKZVLOWFZ-GWCFXTLKSA-N 1 1 286.335 2.666 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595110255 349583957 /nfs/dbraw/zinc/58/39/57/349583957.db2.gz ZSYHHZJSOSANMR-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1noc(C[NH+]2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595308424 349599465 /nfs/dbraw/zinc/59/94/65/349599465.db2.gz JOUJZWJILLNGSQ-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO Cc1noc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595313021 349600042 /nfs/dbraw/zinc/60/00/42/349600042.db2.gz QYHZWDQYEJBVSI-DTORHVGOSA-N 1 1 253.302 2.654 20 5 CFBDMO CCCO[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595312125 349600413 /nfs/dbraw/zinc/60/04/13/349600413.db2.gz LNIQEHGWKYCGJU-LBPRGKRZSA-N 1 1 297.355 2.672 20 5 CFBDMO CCCO[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595312125 349600417 /nfs/dbraw/zinc/60/04/17/349600417.db2.gz LNIQEHGWKYCGJU-LBPRGKRZSA-N 1 1 297.355 2.672 20 5 CFBDMO Cc1noc(C[N@H+](C2CC2)C2CCCC2)c1[N+](=O)[O-] ZINC000595312400 349600516 /nfs/dbraw/zinc/60/05/16/349600516.db2.gz MIRYFSCEQGXQGS-UHFFFAOYSA-N 1 1 265.313 2.798 20 5 CFBDMO Cc1noc(C[N@@H+](C2CC2)C2CCCC2)c1[N+](=O)[O-] ZINC000595312400 349600519 /nfs/dbraw/zinc/60/05/19/349600519.db2.gz MIRYFSCEQGXQGS-UHFFFAOYSA-N 1 1 265.313 2.798 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291937 349592206 /nfs/dbraw/zinc/59/22/06/349592206.db2.gz YHQXQIKJHRHVLT-GXSJLCMTSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595296867 349595128 /nfs/dbraw/zinc/59/51/28/349595128.db2.gz MYNDBVIRZCRXCE-ZDUSSCGKSA-N 1 1 287.319 2.881 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595341274 349605618 /nfs/dbraw/zinc/60/56/18/349605618.db2.gz GHQQBMIZMPHBMI-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO CCSCC[C@@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595375686 349612352 /nfs/dbraw/zinc/61/23/52/349612352.db2.gz CCXVMGDXNABEKV-SECBINFHSA-N 1 1 287.385 2.855 20 5 CFBDMO CCSCC[C@@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595375686 349612356 /nfs/dbraw/zinc/61/23/56/349612356.db2.gz CCXVMGDXNABEKV-SECBINFHSA-N 1 1 287.385 2.855 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595396637 349615893 /nfs/dbraw/zinc/61/58/93/349615893.db2.gz NQXJFIQSKBFVDP-NXEZZACHSA-N 1 1 267.329 2.759 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409588 349618344 /nfs/dbraw/zinc/61/83/44/349618344.db2.gz XSQMYDFRJVCFHX-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409370 349618193 /nfs/dbraw/zinc/61/81/93/349618193.db2.gz WQRJTRAHBVYYOQ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO Cc1noc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000595428504 349623267 /nfs/dbraw/zinc/62/32/67/349623267.db2.gz YCOYGKKUGZVNRH-MRVPVSSYSA-N 1 1 296.352 2.583 20 5 CFBDMO Cc1noc(C[N@H+](C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000595428504 349623271 /nfs/dbraw/zinc/62/32/71/349623271.db2.gz YCOYGKKUGZVNRH-MRVPVSSYSA-N 1 1 296.352 2.583 20 5 CFBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442139 349627809 /nfs/dbraw/zinc/62/78/09/349627809.db2.gz REUTUEYTFWSZRT-SCZZXKLOSA-N 1 1 253.302 2.512 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470028 349636509 /nfs/dbraw/zinc/63/65/09/349636509.db2.gz ZHUUKKUJYNFEQO-RISCZKNCSA-N 1 1 296.342 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000595475609 349637887 /nfs/dbraw/zinc/63/78/87/349637887.db2.gz MBZZMAMWTHEVCV-AWEZNQCLSA-N 1 1 296.342 2.861 20 5 CFBDMO CO[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595476739 349638384 /nfs/dbraw/zinc/63/83/84/349638384.db2.gz OHTWCQJKZRBGHE-MRXNPFEDSA-N 1 1 292.379 2.884 20 5 CFBDMO CCC(CC)[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595489192 349640798 /nfs/dbraw/zinc/64/07/98/349640798.db2.gz KOXLTKIUEJUCMV-UHFFFAOYSA-N 1 1 255.318 2.902 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521095 349649937 /nfs/dbraw/zinc/64/99/37/349649937.db2.gz QSTUOVSSDSTUMC-CQSZACIVSA-N 1 1 295.358 2.650 20 5 CFBDMO CC[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536857 349653925 /nfs/dbraw/zinc/65/39/25/349653925.db2.gz VWROHTJSIZRTIA-LBPRGKRZSA-N 1 1 295.358 2.650 20 5 CFBDMO Cc1noc(C[N@@H+](C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595542483 349655319 /nfs/dbraw/zinc/65/53/19/349655319.db2.gz WTBYOHZVHWNKJR-UHFFFAOYSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@H+](C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595542483 349655322 /nfs/dbraw/zinc/65/53/22/349655322.db2.gz WTBYOHZVHWNKJR-UHFFFAOYSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595550006 349657451 /nfs/dbraw/zinc/65/74/51/349657451.db2.gz GSJJQNHSLGZBHH-GFCCVEGCSA-N 1 1 279.340 2.903 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670802 349696252 /nfs/dbraw/zinc/69/62/52/349696252.db2.gz DLYXTDSQTFBIFR-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595750095 349722496 /nfs/dbraw/zinc/72/24/96/349722496.db2.gz NUMMURJPIAUARO-NXEZZACHSA-N 1 1 298.770 2.697 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595750221 349723141 /nfs/dbraw/zinc/72/31/41/349723141.db2.gz JXIOZISBOAPSBO-INIZCTEOSA-N 1 1 290.363 2.640 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595706943 349712241 /nfs/dbraw/zinc/71/22/41/349712241.db2.gz ZECMEZGIRNBDLV-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595830787 349744430 /nfs/dbraw/zinc/74/44/30/349744430.db2.gz LVMOYXGGCMCEKV-MELADBBJSA-N 1 1 290.363 2.933 20 5 CFBDMO COc1cc(C[N@@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000595887166 349761789 /nfs/dbraw/zinc/76/17/89/349761789.db2.gz BGHUEHALVCMWHJ-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596079634 349788998 /nfs/dbraw/zinc/78/89/98/349788998.db2.gz UYIWSAYLTXLPHR-SNVBAGLBSA-N 1 1 281.381 2.861 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145944 349808138 /nfs/dbraw/zinc/80/81/38/349808138.db2.gz ITXMTAMSPHWVKZ-SCZZXKLOSA-N 1 1 269.370 2.859 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000295025759 199306688 /nfs/dbraw/zinc/30/66/88/199306688.db2.gz NNVNOMRDUCYMHN-LLVKDONJSA-N 1 1 284.381 2.903 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000295025759 199306689 /nfs/dbraw/zinc/30/66/89/199306689.db2.gz NNVNOMRDUCYMHN-LLVKDONJSA-N 1 1 284.381 2.903 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])s1 ZINC000596229432 349834204 /nfs/dbraw/zinc/83/42/04/349834204.db2.gz BEKZXEGKQAQVTR-SECBINFHSA-N 1 1 278.337 2.588 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)c(F)c1 ZINC000295067932 199329062 /nfs/dbraw/zinc/32/90/62/199329062.db2.gz PAKMJKXDPWJSCY-UHFFFAOYSA-N 1 1 270.279 2.915 20 5 CFBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000596269567 349848963 /nfs/dbraw/zinc/84/89/63/349848963.db2.gz TZXFDPKHBKYJNF-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO CC[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268919 349848195 /nfs/dbraw/zinc/84/81/95/349848195.db2.gz NOHBPONPNWWBTC-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO COc1cccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309866 349859937 /nfs/dbraw/zinc/85/99/37/349859937.db2.gz YVTZSKOAJXWJKD-LLVKDONJSA-N 1 1 293.367 2.888 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000596326768 349864553 /nfs/dbraw/zinc/86/45/53/349864553.db2.gz LEAZLQLIUDAOLE-LLVKDONJSA-N 1 1 263.341 2.880 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421401544 282335981 /nfs/dbraw/zinc/33/59/81/282335981.db2.gz CPDHGGUMAHHRKI-GTBONMDNSA-N 1 1 289.379 2.634 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000413433333 530055052 /nfs/dbraw/zinc/05/50/52/530055052.db2.gz DGSYESZABNXIAB-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000009998255 346225690 /nfs/dbraw/zinc/22/56/90/346225690.db2.gz DRSWUJHOIOYMKJ-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000009998255 346225692 /nfs/dbraw/zinc/22/56/92/346225692.db2.gz DRSWUJHOIOYMKJ-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000075638594 347089440 /nfs/dbraw/zinc/08/94/40/347089440.db2.gz XWUQQOVMZAFELC-SNVBAGLBSA-N 1 1 252.339 2.705 20 5 CFBDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000031582039 346295605 /nfs/dbraw/zinc/29/56/05/346295605.db2.gz NFQYAOBVPHPTDN-UHFFFAOYSA-N 1 1 293.367 2.900 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000076111547 347122528 /nfs/dbraw/zinc/12/25/28/347122528.db2.gz CGDVQMRMQYWCLH-AOOOYVTPSA-N 1 1 252.289 2.822 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000078455755 347253628 /nfs/dbraw/zinc/25/36/28/347253628.db2.gz YLIIPLSBGNXOBU-NSHDSACASA-N 1 1 283.397 2.967 20 5 CFBDMO Cc1[nH+]c2cc(Nc3ncccc3[N+](=O)[O-])ccc2n1C ZINC000078674657 347269757 /nfs/dbraw/zinc/26/97/57/347269757.db2.gz LJLBZTHYPNWTFI-UHFFFAOYSA-N 1 1 283.291 2.929 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCC3)c(F)c1 ZINC000081515970 347422948 /nfs/dbraw/zinc/42/29/48/347422948.db2.gz ZDFIUJPNMYPFDK-UHFFFAOYSA-N 1 1 250.273 2.862 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCC3)c(F)c1 ZINC000081515970 347422951 /nfs/dbraw/zinc/42/29/51/347422951.db2.gz ZDFIUJPNMYPFDK-UHFFFAOYSA-N 1 1 250.273 2.862 20 5 CFBDMO C[C@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120884313 347809213 /nfs/dbraw/zinc/80/92/13/347809213.db2.gz PFZBWSYDRFZWHH-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120884313 347809214 /nfs/dbraw/zinc/80/92/14/347809214.db2.gz PFZBWSYDRFZWHH-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1cccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000134909106 347902392 /nfs/dbraw/zinc/90/23/92/347902392.db2.gz LNHSVBHHDIYDEE-LBPRGKRZSA-N 1 1 293.367 2.746 20 5 CFBDMO COc1ccc(C)[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000150988489 347958479 /nfs/dbraw/zinc/95/84/79/347958479.db2.gz UJBJTHJDTITDNX-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO Cc1cccc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000236013384 348231053 /nfs/dbraw/zinc/23/10/53/348231053.db2.gz OBQYPEPSVPIMLW-NSHDSACASA-N 1 1 261.325 2.552 20 5 CFBDMO CC(C)c1ccc(CNC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000236653364 348234393 /nfs/dbraw/zinc/23/43/93/348234393.db2.gz FVMOYOBGCORKIZ-AWEZNQCLSA-N 1 1 291.395 2.902 20 5 CFBDMO CC(C)c1ccc(CNC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000236653364 348234397 /nfs/dbraw/zinc/23/43/97/348234397.db2.gz FVMOYOBGCORKIZ-AWEZNQCLSA-N 1 1 291.395 2.902 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@H]2CF)cccc1[N+](=O)[O-] ZINC000292921627 348360575 /nfs/dbraw/zinc/36/05/75/348360575.db2.gz BURFPWXWQZTEHZ-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]2CF)cccc1[N+](=O)[O-] ZINC000292921627 348360577 /nfs/dbraw/zinc/36/05/77/348360577.db2.gz BURFPWXWQZTEHZ-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293206743 348361486 /nfs/dbraw/zinc/36/14/86/348361486.db2.gz RAMXAAWSNNJLFS-STQMWFEESA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000311882650 348415622 /nfs/dbraw/zinc/41/56/22/348415622.db2.gz NHAWOWFFBSDQOQ-SECBINFHSA-N 1 1 286.763 2.784 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314381684 348425742 /nfs/dbraw/zinc/42/57/42/348425742.db2.gz QZVBMXXDOGDIBR-INWMFGNUSA-N 1 1 289.379 2.717 20 5 CFBDMO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000314874361 348428073 /nfs/dbraw/zinc/42/80/73/348428073.db2.gz KVBADCCVPKDYGK-NSHDSACASA-N 1 1 293.342 2.939 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccn1 ZINC000273419696 192144241 /nfs/dbraw/zinc/14/42/41/192144241.db2.gz QLYBAXOHXXCBDQ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccn1 ZINC000273419696 192144243 /nfs/dbraw/zinc/14/42/43/192144243.db2.gz QLYBAXOHXXCBDQ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO CC[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000586771418 348750251 /nfs/dbraw/zinc/75/02/51/348750251.db2.gz XCBDAOMAMMTLOO-ZDUSSCGKSA-N 1 1 286.278 2.532 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589198199 348819251 /nfs/dbraw/zinc/81/92/51/348819251.db2.gz QRTKKVIFWCECPB-MRXNPFEDSA-N 1 1 292.379 2.921 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CCCC2)c1 ZINC000589495098 348835933 /nfs/dbraw/zinc/83/59/33/348835933.db2.gz YYQSZMDLIDMKHK-UHFFFAOYSA-N 1 1 292.335 2.756 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661407 348924405 /nfs/dbraw/zinc/92/44/05/348924405.db2.gz DJQXIFNYOVKUFL-IAQYHMDHSA-N 1 1 278.352 2.673 20 5 CFBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000591166421 348996276 /nfs/dbraw/zinc/99/62/76/348996276.db2.gz XFGUVIZGGIVRMP-UHFFFAOYSA-N 1 1 269.370 2.943 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591275638 349006028 /nfs/dbraw/zinc/00/60/28/349006028.db2.gz NSLQQEMVQUVTBG-UKRRQHHQSA-N 1 1 291.395 2.648 20 5 CFBDMO CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581139 349032575 /nfs/dbraw/zinc/03/25/75/349032575.db2.gz LPNOLVQQRXMPDP-KCQAQPDRSA-N 1 1 295.358 2.726 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115113 349212413 /nfs/dbraw/zinc/21/24/13/349212413.db2.gz ICOKUXKFFLGJJM-GFCCVEGCSA-N 1 1 268.263 2.826 20 5 CFBDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593056950 349196404 /nfs/dbraw/zinc/19/64/04/349196404.db2.gz BUZMWZWPUQPZMG-HIFRSBDPSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593056950 349196408 /nfs/dbraw/zinc/19/64/08/349196408.db2.gz BUZMWZWPUQPZMG-HIFRSBDPSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057162 349197598 /nfs/dbraw/zinc/19/75/98/349197598.db2.gz CLGREBUNLDHIIN-UONOGXRCSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057162 349197600 /nfs/dbraw/zinc/19/76/00/349197600.db2.gz CLGREBUNLDHIIN-UONOGXRCSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317798 349246653 /nfs/dbraw/zinc/24/66/53/349246653.db2.gz YOYINBVHOVRYFV-IUODEOHRSA-N 1 1 291.395 2.853 20 5 CFBDMO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594503528 349433208 /nfs/dbraw/zinc/43/32/08/349433208.db2.gz XRCCUDBNGUIZFQ-SNVBAGLBSA-N 1 1 272.308 2.544 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000597266241 350076444 /nfs/dbraw/zinc/07/64/44/350076444.db2.gz KABQDZNMWCDPCC-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000597266241 350076447 /nfs/dbraw/zinc/07/64/47/350076447.db2.gz KABQDZNMWCDPCC-UHFFFAOYSA-N 1 1 286.335 2.575 20 5 CFBDMO Cc1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597196071 350051171 /nfs/dbraw/zinc/05/11/71/350051171.db2.gz QHVVKDAYKVVNAD-IYBDPMFKSA-N 1 1 290.363 2.762 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231705 350065932 /nfs/dbraw/zinc/06/59/32/350065932.db2.gz PSAJTAOHMFFBJY-SZWGIHMLSA-N 1 1 288.347 2.576 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104687442 186014320 /nfs/dbraw/zinc/01/43/20/186014320.db2.gz BUICIXSNGXWFMM-NSHDSACASA-N 1 1 279.340 2.572 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414910954 233395741 /nfs/dbraw/zinc/39/57/41/233395741.db2.gz CXNQQBORXFQLKA-GUTXKFCHSA-N 1 1 291.395 2.504 20 5 CFBDMO C[C@@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414913815 233397594 /nfs/dbraw/zinc/39/75/94/233397594.db2.gz WYBLLWGKGXWVNY-RRGWEWPQSA-N 1 1 289.379 2.587 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@H]1C ZINC000414910961 233397707 /nfs/dbraw/zinc/39/77/07/233397707.db2.gz CXNQQBORXFQLKA-NFAWXSAZSA-N 1 1 291.395 2.504 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598645346 350300422 /nfs/dbraw/zinc/30/04/22/350300422.db2.gz HFOWSOLUIUMCQF-BZPMIXESSA-N 1 1 278.352 2.606 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598645978 350300713 /nfs/dbraw/zinc/30/07/13/350300713.db2.gz BDEBCQSURZXCKV-ZDUSSCGKSA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598645978 350300714 /nfs/dbraw/zinc/30/07/14/350300714.db2.gz BDEBCQSURZXCKV-ZDUSSCGKSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000598932625 350347768 /nfs/dbraw/zinc/34/77/68/350347768.db2.gz OEDOHRFDGXIPGF-CQSZACIVSA-N 1 1 286.335 2.528 20 5 CFBDMO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071827 350371082 /nfs/dbraw/zinc/37/10/82/350371082.db2.gz UKTBSNGFTDWCMY-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291015518 197889580 /nfs/dbraw/zinc/88/95/80/197889580.db2.gz BTOJOTWDMZXTNI-SSDOTTSWSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291015518 197889582 /nfs/dbraw/zinc/88/95/82/197889582.db2.gz BTOJOTWDMZXTNI-SSDOTTSWSA-N 1 1 293.150 2.714 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000599673396 350478495 /nfs/dbraw/zinc/47/84/95/350478495.db2.gz MMXCXHQWMWOTQK-UHFFFAOYSA-N 1 1 272.370 2.639 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107695850 186187235 /nfs/dbraw/zinc/18/72/35/186187235.db2.gz WBORLQPUGPKPKW-JTQLQIEISA-N 1 1 270.354 2.515 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCOCC4(CC4)C3)c2c1 ZINC000601141964 350680654 /nfs/dbraw/zinc/68/06/54/350680654.db2.gz UDGUSUYQWGEIMF-UHFFFAOYSA-N 1 1 299.330 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000601154711 350683709 /nfs/dbraw/zinc/68/37/09/350683709.db2.gz UGHCGJPXZHIOTE-GFCCVEGCSA-N 1 1 294.330 2.558 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC34CCOCC4)c2c1 ZINC000601171101 350688011 /nfs/dbraw/zinc/68/80/11/350688011.db2.gz IDDUNHUXPITWJM-OAHLLOKOSA-N 1 1 299.330 2.546 20 5 CFBDMO CCOC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601170922 350688016 /nfs/dbraw/zinc/68/80/16/350688016.db2.gz WFZFRCCJBPGOIZ-UHFFFAOYSA-N 1 1 287.319 2.758 20 5 CFBDMO COCC[C@@H](C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601177195 350690251 /nfs/dbraw/zinc/69/02/51/350690251.db2.gz WWPRHUKQWPCIGD-LLVKDONJSA-N 1 1 289.335 2.649 20 5 CFBDMO CN(CC1=CCCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601196064 350694262 /nfs/dbraw/zinc/69/42/62/350694262.db2.gz XWYBZWPVQLYNEL-UHFFFAOYSA-N 1 1 299.330 2.926 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1F ZINC000602569101 350928691 /nfs/dbraw/zinc/92/86/91/350928691.db2.gz QNBKZFATARIYGO-SNVBAGLBSA-N 1 1 292.314 2.627 20 5 CFBDMO CC[C@@](C)(C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441254 350883638 /nfs/dbraw/zinc/88/36/38/350883638.db2.gz WLWFJMRBJRDKMC-AWEZNQCLSA-N 1 1 266.341 2.842 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671283 350970546 /nfs/dbraw/zinc/97/05/46/350970546.db2.gz FLQCIWPHMFXMAA-UHFFFAOYSA-N 1 1 293.323 2.593 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000602837274 351041426 /nfs/dbraw/zinc/04/14/26/351041426.db2.gz KWOVTDFSLRZSQU-UHFFFAOYSA-N 1 1 294.399 2.999 20 5 CFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1occc1C ZINC000602843877 351042872 /nfs/dbraw/zinc/04/28/72/351042872.db2.gz KICYBWOZBVZVTB-UHFFFAOYSA-N 1 1 292.339 2.523 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000602845614 351043990 /nfs/dbraw/zinc/04/39/90/351043990.db2.gz LGYBYNLPMUHWFF-CQSZACIVSA-N 1 1 292.383 2.612 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cs1 ZINC000602997858 351088982 /nfs/dbraw/zinc/08/89/82/351088982.db2.gz SCGDVRNSMZTUQT-XQQFMLRXSA-N 1 1 296.392 2.782 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000603056027 351095712 /nfs/dbraw/zinc/09/57/12/351095712.db2.gz PTRRADFMRRSMBX-NSHDSACASA-N 1 1 282.388 2.714 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859910 351187294 /nfs/dbraw/zinc/18/72/94/351187294.db2.gz JATWQMJHUDDSAG-ZDUSSCGKSA-N 1 1 292.383 2.914 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609595614 351511038 /nfs/dbraw/zinc/51/10/38/351511038.db2.gz VXFWZSMTXKTJTN-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609204244 351491614 /nfs/dbraw/zinc/49/16/14/351491614.db2.gz YRUMHMALACOPFF-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)(C)CO ZINC000609894832 351527445 /nfs/dbraw/zinc/52/74/45/351527445.db2.gz CQHSXNOWLVVFEP-UHFFFAOYSA-N 1 1 296.367 2.585 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133482 351535732 /nfs/dbraw/zinc/53/57/32/351535732.db2.gz RZJDVZKUPOJYLU-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133480 351535844 /nfs/dbraw/zinc/53/58/44/351535844.db2.gz RZJDVZKUPOJYLU-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1 ZINC000610560162 351582375 /nfs/dbraw/zinc/58/23/75/351582375.db2.gz LJTIRCHIKGVXBG-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)C1 ZINC000610368673 351561735 /nfs/dbraw/zinc/56/17/35/351561735.db2.gz AFNHLZQCSLJGLC-STQMWFEESA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180315 351648247 /nfs/dbraw/zinc/64/82/47/351648247.db2.gz WSNMLZKXWWTNGO-JTQLQIEISA-N 1 1 286.278 2.561 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611221653 351652674 /nfs/dbraw/zinc/65/26/74/351652674.db2.gz JHPBMGQDRIYHEM-NXEZZACHSA-N 1 1 298.774 2.562 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000611262778 351659824 /nfs/dbraw/zinc/65/98/24/351659824.db2.gz JJQQAJIBJSZXMM-ANIZGFEYSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000611262778 351659828 /nfs/dbraw/zinc/65/98/28/351659828.db2.gz JJQQAJIBJSZXMM-ANIZGFEYSA-N 1 1 288.347 2.861 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000610859866 351615653 /nfs/dbraw/zinc/61/56/53/351615653.db2.gz RJFALGGZOORPCR-UHFFFAOYSA-N 1 1 296.367 2.721 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000610967893 351625801 /nfs/dbraw/zinc/62/58/01/351625801.db2.gz VKPNNDCMHIESRQ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000610967893 351625805 /nfs/dbraw/zinc/62/58/05/351625805.db2.gz VKPNNDCMHIESRQ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000611411477 351685169 /nfs/dbraw/zinc/68/51/69/351685169.db2.gz FEWSREBHBBARAP-UHFFFAOYSA-N 1 1 257.359 2.799 20 5 CFBDMO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611501556 351698226 /nfs/dbraw/zinc/69/82/26/351698226.db2.gz FFOXSTHVHCWNFF-FZMZJTMJSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611501556 351698230 /nfs/dbraw/zinc/69/82/30/351698230.db2.gz FFOXSTHVHCWNFF-FZMZJTMJSA-N 1 1 282.315 2.654 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000611370317 351675209 /nfs/dbraw/zinc/67/52/09/351675209.db2.gz XXJFZEPGZAAANI-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370297 351675567 /nfs/dbraw/zinc/67/55/67/351675567.db2.gz LTXLJMRQUTYNNR-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC000611616321 351714744 /nfs/dbraw/zinc/71/47/44/351714744.db2.gz WHZDFZYYIPSLLR-LLVKDONJSA-N 1 1 278.356 2.501 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616928 351715293 /nfs/dbraw/zinc/71/52/93/351715293.db2.gz YGGQWSGVINYADP-GFCCVEGCSA-N 1 1 278.356 2.503 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611943559 351754382 /nfs/dbraw/zinc/75/43/82/351754382.db2.gz NYCNNIKORVPEQE-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122265229 187023390 /nfs/dbraw/zinc/02/33/90/187023390.db2.gz ZCRZMHGKWNNGSJ-WDEREUQCSA-N 1 1 261.325 2.632 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122708309 187047088 /nfs/dbraw/zinc/04/70/88/187047088.db2.gz RDAXKOJEQYCRMH-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CCC2)C1 ZINC000122850939 187055255 /nfs/dbraw/zinc/05/52/55/187055255.db2.gz OYFGVCBULMKGOX-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123550985 187098061 /nfs/dbraw/zinc/09/80/61/187098061.db2.gz XNTAAAPJWOCPKI-CYBMUJFWSA-N 1 1 280.372 2.692 20 5 CFBDMO CC(C)c1[nH+]ccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000123653440 187103300 /nfs/dbraw/zinc/10/33/00/187103300.db2.gz JQAITEUSNAXSEA-UHFFFAOYSA-N 1 1 275.308 2.994 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846868 187111555 /nfs/dbraw/zinc/11/15/55/187111555.db2.gz XSBKERYZVIFMBD-GXTWGEPZSA-N 1 1 278.352 2.720 20 5 CFBDMO CCOc1cccc(N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000613048380 351894395 /nfs/dbraw/zinc/89/43/95/351894395.db2.gz ADFGGHISUYQWIL-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1[nH]ncc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271508441 191182579 /nfs/dbraw/zinc/18/25/79/191182579.db2.gz OJQCAKVRFMEMRZ-LLVKDONJSA-N 1 1 288.351 2.737 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000292123024 198172061 /nfs/dbraw/zinc/17/20/61/198172061.db2.gz HUROFNUGDSFSMG-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619179618 352973338 /nfs/dbraw/zinc/97/33/38/352973338.db2.gz ZAGQMCZYZYBLKN-NEPJUHHUSA-N 1 1 296.342 2.859 20 5 CFBDMO CCCc1[nH+]ccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000153532847 188087455 /nfs/dbraw/zinc/08/74/55/188087455.db2.gz PFYANRWAOYTBBE-UHFFFAOYSA-N 1 1 275.308 2.823 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000153931206 188112535 /nfs/dbraw/zinc/11/25/35/188112535.db2.gz LXNGJPPMWDMXLH-WCBMZHEXSA-N 1 1 296.758 2.680 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000154147704 188126266 /nfs/dbraw/zinc/12/62/66/188126266.db2.gz QZNSMSNRSPELTD-LLVKDONJSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@H+](CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000157400270 188315134 /nfs/dbraw/zinc/31/51/34/188315134.db2.gz YWBWTGLLEQPYPN-UHFFFAOYSA-N 1 1 283.378 2.787 20 5 CFBDMO C[N@@H+](CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000157400270 188315136 /nfs/dbraw/zinc/31/51/36/188315136.db2.gz YWBWTGLLEQPYPN-UHFFFAOYSA-N 1 1 283.378 2.787 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272557562 191788296 /nfs/dbraw/zinc/78/82/96/191788296.db2.gz DQWIRDQUKVRJNR-HOCLYGCPSA-N 1 1 292.379 2.886 20 5 CFBDMO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294443558 199041262 /nfs/dbraw/zinc/04/12/62/199041262.db2.gz RCKWEFWJIOQBIC-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294443558 199041264 /nfs/dbraw/zinc/04/12/64/199041264.db2.gz RCKWEFWJIOQBIC-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO CCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294800497 199189675 /nfs/dbraw/zinc/18/96/75/199189675.db2.gz CEMFYFIKSASDIM-OAHLLOKOSA-N 1 1 280.368 2.966 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000296840130 200012309 /nfs/dbraw/zinc/01/23/09/200012309.db2.gz MVLGBPSSGCGKDA-YPMHNXCESA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000296814529 200006211 /nfs/dbraw/zinc/00/62/11/200006211.db2.gz VDKFBLWCZOOMDH-WDEREUQCSA-N 1 1 272.308 2.797 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177174629 189034124 /nfs/dbraw/zinc/03/41/24/189034124.db2.gz SZEICUPGOLXMHR-VIFPVBQESA-N 1 1 261.281 2.720 20 5 CFBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178343063 189108624 /nfs/dbraw/zinc/10/86/24/189108624.db2.gz HOBOVGFNAHNBFA-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO CC1(C)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178860116 189150914 /nfs/dbraw/zinc/15/09/14/189150914.db2.gz ZMLIJPBPRBPVAZ-CYBMUJFWSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000423259002 238313809 /nfs/dbraw/zinc/31/38/09/238313809.db2.gz CVVVRWARNFLJRY-QWHCGFSZSA-N 1 1 279.384 2.927 20 5 CFBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000180097689 189236607 /nfs/dbraw/zinc/23/66/07/189236607.db2.gz WFQREWCGLGCCLX-UHFFFAOYSA-N 1 1 294.351 2.986 20 5 CFBDMO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000301980398 540971681 /nfs/dbraw/zinc/97/16/81/540971681.db2.gz ARJBBMZGIUVLIM-DTWKUNHWSA-N 1 1 267.354 2.693 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000301425550 201004387 /nfs/dbraw/zinc/00/43/87/201004387.db2.gz DIAVZJKJMISJHL-ZDUSSCGKSA-N 1 1 277.368 2.905 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000183253402 189352073 /nfs/dbraw/zinc/35/20/73/189352073.db2.gz ZWZJPQRKZBFTGY-AWEZNQCLSA-N 1 1 264.325 2.514 20 5 CFBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000183533036 189361362 /nfs/dbraw/zinc/36/13/62/189361362.db2.gz YESSZNIBXBRCGY-AWEZNQCLSA-N 1 1 290.319 2.974 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183283783 189353407 /nfs/dbraw/zinc/35/34/07/189353407.db2.gz XIIDXPXAONWZOP-CQSZACIVSA-N 1 1 264.325 2.514 20 5 CFBDMO CC1=CC[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000302158774 201372362 /nfs/dbraw/zinc/37/23/62/201372362.db2.gz OMRRVLLTRXLVJL-UHFFFAOYSA-N 1 1 279.315 2.798 20 5 CFBDMO CC(C)C1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000433146387 240109841 /nfs/dbraw/zinc/10/98/41/240109841.db2.gz VEZCNZWRSVVEFC-UHFFFAOYSA-N 1 1 294.399 2.938 20 5 CFBDMO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435379356 240306833 /nfs/dbraw/zinc/30/68/33/240306833.db2.gz BOAJANDLMOVTPC-OAHLLOKOSA-N 1 1 291.395 2.867 20 5 CFBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434790646 240274007 /nfs/dbraw/zinc/27/40/07/240274007.db2.gz XFEQMZRJGVSMHA-MRXNPFEDSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434790646 240274012 /nfs/dbraw/zinc/27/40/12/240274012.db2.gz XFEQMZRJGVSMHA-MRXNPFEDSA-N 1 1 289.379 2.701 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1O ZINC000275481631 193054404 /nfs/dbraw/zinc/05/44/04/193054404.db2.gz OJNAMGISCRXYNY-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1O ZINC000275481631 193054406 /nfs/dbraw/zinc/05/44/06/193054406.db2.gz OJNAMGISCRXYNY-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000275511129 193061986 /nfs/dbraw/zinc/06/19/86/193061986.db2.gz UZHOJRAUXGRCHO-UHFFFAOYSA-N 1 1 288.351 2.935 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000275826039 193139942 /nfs/dbraw/zinc/13/99/42/193139942.db2.gz KRWJTQZMYWPZFE-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000275826039 193139943 /nfs/dbraw/zinc/13/99/43/193139943.db2.gz KRWJTQZMYWPZFE-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275867284 193150138 /nfs/dbraw/zinc/15/01/38/193150138.db2.gz NQFOCAGPQSIEEY-AULYBMBSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)C ZINC000444625367 241154710 /nfs/dbraw/zinc/15/47/10/241154710.db2.gz IBRKQJQMVFRDGS-UHFFFAOYSA-N 1 1 276.340 2.949 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000444230605 241126782 /nfs/dbraw/zinc/12/67/82/241126782.db2.gz ZCYXVNNWJJCPKU-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446072144 241272022 /nfs/dbraw/zinc/27/20/22/241272022.db2.gz LNVFLFCYVDFQCH-WCFLWFBJSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446072144 241272027 /nfs/dbraw/zinc/27/20/27/241272027.db2.gz LNVFLFCYVDFQCH-WCFLWFBJSA-N 1 1 278.352 2.901 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000446086327 241277718 /nfs/dbraw/zinc/27/77/18/241277718.db2.gz YWFGCVUKEQLHSP-JHJVBQTASA-N 1 1 278.352 2.635 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)CC(C)(C)C ZINC000449589789 242053940 /nfs/dbraw/zinc/05/39/40/242053940.db2.gz SZJRKOIZXRWCBD-ZDUSSCGKSA-N 1 1 298.358 2.963 20 5 CFBDMO CCCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000449609466 242064821 /nfs/dbraw/zinc/06/48/21/242064821.db2.gz BTVFVRCZUVDOQL-UHFFFAOYSA-N 1 1 275.308 2.825 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449764474 242147578 /nfs/dbraw/zinc/14/75/78/242147578.db2.gz BJPUCCXRJCXNGF-JSGCOSHPSA-N 1 1 292.379 2.921 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449779354 242155407 /nfs/dbraw/zinc/15/54/07/242155407.db2.gz TVMQIAQPLLWWAQ-CYBMUJFWSA-N 1 1 278.352 2.843 20 5 CFBDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452000587 243006971 /nfs/dbraw/zinc/00/69/71/243006971.db2.gz BXQJQAXYJIXGPV-LLVKDONJSA-N 1 1 291.351 2.796 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000452047214 243023787 /nfs/dbraw/zinc/02/37/87/243023787.db2.gz ZQWVHYDPYHGQAO-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000452047214 243023792 /nfs/dbraw/zinc/02/37/92/243023792.db2.gz ZQWVHYDPYHGQAO-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452126735 243055721 /nfs/dbraw/zinc/05/57/21/243055721.db2.gz KOPRGQVLLZLVIU-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000330603363 203028177 /nfs/dbraw/zinc/02/81/77/203028177.db2.gz FZVSRJKLBQSJSY-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000330603363 203028181 /nfs/dbraw/zinc/02/81/81/203028181.db2.gz FZVSRJKLBQSJSY-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589570 203008080 /nfs/dbraw/zinc/00/80/80/203008080.db2.gz PJKUILQYGIWTRF-CMPLNLGQSA-N 1 1 277.324 2.731 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330640771 203068720 /nfs/dbraw/zinc/06/87/20/203068720.db2.gz IBYFSUCWZJHDSV-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330709231 203140372 /nfs/dbraw/zinc/14/03/72/203140372.db2.gz OEJBJNHXYIHXGO-GJZGRUSLSA-N 1 1 292.379 2.824 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908294 203377766 /nfs/dbraw/zinc/37/77/66/203377766.db2.gz OJUPTKQNOHCPEA-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276332909 193290399 /nfs/dbraw/zinc/29/03/99/193290399.db2.gz RHGSPCULNBRIBB-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CC1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331606224 204007580 /nfs/dbraw/zinc/00/75/80/204007580.db2.gz ZSYNRSVODCIIKI-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331606224 204007582 /nfs/dbraw/zinc/00/75/82/204007582.db2.gz ZSYNRSVODCIIKI-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020047881 372222559 /nfs/dbraw/zinc/22/25/59/372222559.db2.gz OCLRMWIPXCDSTN-AWEZNQCLSA-N 1 1 291.395 2.949 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020091743 372228508 /nfs/dbraw/zinc/22/85/08/372228508.db2.gz MQVFPZBBHDOSLH-NSHDSACASA-N 1 1 257.293 2.841 20 5 CFBDMO CCN(CC)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020089772 372228731 /nfs/dbraw/zinc/22/87/31/372228731.db2.gz NHGBBBKABHLWBR-CYBMUJFWSA-N 1 1 279.384 2.896 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037061786 372643389 /nfs/dbraw/zinc/64/33/89/372643389.db2.gz FHCGLOVNKKWYCM-YHWZYXNKSA-N 1 1 275.352 2.940 20 5 CFBDMO COc1ncccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037650521 372686725 /nfs/dbraw/zinc/68/67/25/372686725.db2.gz GKHHYPAKNASQPD-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000037668376 372688357 /nfs/dbraw/zinc/68/83/57/372688357.db2.gz BTJLGLYGFBTMOG-UHFFFAOYSA-N 1 1 286.287 2.613 20 5 CFBDMO COc1ccc(C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000051227622 373388872 /nfs/dbraw/zinc/38/88/72/373388872.db2.gz VGXFGAAFNBSTGV-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC000051554889 373396420 /nfs/dbraw/zinc/39/64/20/373396420.db2.gz DFRRGGIGFOQJLD-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO CCCC[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351264 373758245 /nfs/dbraw/zinc/75/82/45/373758245.db2.gz ZDJONNBHBPYLLF-CQSZACIVSA-N 1 1 266.341 2.750 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351215 373758673 /nfs/dbraw/zinc/75/86/73/373758673.db2.gz LSPWCCGWOQFEBH-HIFRSBDPSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000063309345 373802753 /nfs/dbraw/zinc/80/27/53/373802753.db2.gz RBNMEEGRZAGYAM-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000063309345 373802764 /nfs/dbraw/zinc/80/27/64/373802764.db2.gz RBNMEEGRZAGYAM-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068475501 374029848 /nfs/dbraw/zinc/02/98/48/374029848.db2.gz SKRCVKOAQJKZLM-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068475501 374029855 /nfs/dbraw/zinc/02/98/55/374029855.db2.gz SKRCVKOAQJKZLM-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000070445061 374176220 /nfs/dbraw/zinc/17/62/20/374176220.db2.gz MKUVVVQTQMJFIT-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072876054 374297360 /nfs/dbraw/zinc/29/73/60/374297360.db2.gz OITSMSHJSNGUJV-SNVBAGLBSA-N 1 1 288.307 2.629 20 5 CFBDMO Cc1cccc(NCCNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000074277706 374411219 /nfs/dbraw/zinc/41/12/19/374411219.db2.gz FPHPJTCELKPJSB-UHFFFAOYSA-N 1 1 272.308 2.822 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC1 ZINC000075841867 374509296 /nfs/dbraw/zinc/50/92/96/374509296.db2.gz BSJHOJZFMGWMQF-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081519511 374701834 /nfs/dbraw/zinc/70/18/34/374701834.db2.gz XIHSHUUFBVBSJO-ZDUSSCGKSA-N 1 1 278.352 2.762 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451774937 383703264 /nfs/dbraw/zinc/70/32/64/383703264.db2.gz CEYFEHCRARQHTM-CYBMUJFWSA-N 1 1 280.368 2.824 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081571651 374706380 /nfs/dbraw/zinc/70/63/80/374706380.db2.gz PMAIUZUCEPUJGG-OAHLLOKOSA-N 1 1 291.395 2.759 20 5 CFBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360511 375009882 /nfs/dbraw/zinc/00/98/82/375009882.db2.gz LKABHBXUGFZWKM-UHFFFAOYSA-N 1 1 290.279 2.700 20 5 CFBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000090533606 375019864 /nfs/dbraw/zinc/01/98/64/375019864.db2.gz GQNGNSSGQQHNAI-CMPLNLGQSA-N 1 1 288.351 2.908 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093505811 375258919 /nfs/dbraw/zinc/25/89/19/375258919.db2.gz VPMYKXXDIAKXQZ-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000501796368 247106283 /nfs/dbraw/zinc/10/62/83/247106283.db2.gz SOLBHWGVAXHNIJ-STQMWFEESA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000102409720 375672916 /nfs/dbraw/zinc/67/29/16/375672916.db2.gz ZICWTQKCRFSKGU-OAHLLOKOSA-N 1 1 286.335 2.628 20 5 CFBDMO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000507175084 247166135 /nfs/dbraw/zinc/16/61/35/247166135.db2.gz UQLFPEWDRIOEFI-XQRVVYSFSA-N 1 1 276.336 2.719 20 5 CFBDMO CCC[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000112409688 375918229 /nfs/dbraw/zinc/91/82/29/375918229.db2.gz AZZGHIFGBOOJNO-UHFFFAOYSA-N 1 1 277.368 2.513 20 5 CFBDMO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842507 376320312 /nfs/dbraw/zinc/32/03/12/376320312.db2.gz GKYCXYICIJBVAK-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@@H]1SCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415052 376295662 /nfs/dbraw/zinc/29/56/62/376295662.db2.gz JXKZVLRJUIPPHT-RYUDHWBXSA-N 1 1 280.393 2.963 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000118416257 376295697 /nfs/dbraw/zinc/29/56/97/376295697.db2.gz VVKMAGBASLSQKH-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000118416257 376295701 /nfs/dbraw/zinc/29/57/01/376295701.db2.gz VVKMAGBASLSQKH-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@@H]1SCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118414583 376295853 /nfs/dbraw/zinc/29/58/53/376295853.db2.gz UZVLXEGGDMEVBV-QWRGUYRKSA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000119162365 376364747 /nfs/dbraw/zinc/36/47/47/376364747.db2.gz MZIHBMCHRSEOCK-LLVKDONJSA-N 1 1 290.323 2.610 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000119530369 376431181 /nfs/dbraw/zinc/43/11/81/376431181.db2.gz PWELEVCLLQDCNL-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000119530369 376431186 /nfs/dbraw/zinc/43/11/86/376431186.db2.gz PWELEVCLLQDCNL-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000120231921 376575962 /nfs/dbraw/zinc/57/59/62/376575962.db2.gz NCHNYHCXLKAQCF-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844268 190212269 /nfs/dbraw/zinc/21/22/69/190212269.db2.gz XLZIDBJYKPTMBQ-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCCCO)C1CC1 ZINC000152546394 378427971 /nfs/dbraw/zinc/42/79/71/378427971.db2.gz XKLRDTXWCVDBMJ-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000153327918 378485832 /nfs/dbraw/zinc/48/58/32/378485832.db2.gz SZJWMSYXSDQRCX-ZDUSSCGKSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000153327918 378485840 /nfs/dbraw/zinc/48/58/40/378485840.db2.gz SZJWMSYXSDQRCX-ZDUSSCGKSA-N 1 1 276.336 2.522 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200913 378648986 /nfs/dbraw/zinc/64/89/86/378648986.db2.gz VIBPWTIPVDDWLS-TZMCWYRMSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000169045091 379104095 /nfs/dbraw/zinc/10/40/95/379104095.db2.gz DSCCFAYQKVYXSL-NWDGAFQWSA-N 1 1 279.315 2.773 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000170770673 379153068 /nfs/dbraw/zinc/15/30/68/379153068.db2.gz SNKZXRDNIJAICU-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC1 ZINC000170909038 379189959 /nfs/dbraw/zinc/18/99/59/379189959.db2.gz NMFKQTPIWRHPIU-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC1 ZINC000170909038 379189964 /nfs/dbraw/zinc/18/99/64/379189964.db2.gz NMFKQTPIWRHPIU-UHFFFAOYSA-N 1 1 264.325 2.976 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCCCO ZINC000278936253 194220716 /nfs/dbraw/zinc/22/07/16/194220716.db2.gz TYVRIYSXUWSYBM-LBPRGKRZSA-N 1 1 266.341 2.750 20 5 CFBDMO CO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178588 379512513 /nfs/dbraw/zinc/51/25/13/379512513.db2.gz KERZXYKNOPTXTH-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178588 379512521 /nfs/dbraw/zinc/51/25/21/379512521.db2.gz KERZXYKNOPTXTH-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000174858346 379951261 /nfs/dbraw/zinc/95/12/61/379951261.db2.gz OWEJNFZDDFEKNA-UHFFFAOYSA-N 1 1 292.383 2.838 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246103 380201285 /nfs/dbraw/zinc/20/12/85/380201285.db2.gz DAJGJQLBTZYGOR-CYBMUJFWSA-N 1 1 280.372 2.549 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000177898539 380391290 /nfs/dbraw/zinc/39/12/90/380391290.db2.gz CCWAIAIAWPFFNI-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000177908261 380393050 /nfs/dbraw/zinc/39/30/50/380393050.db2.gz QSTVUNCGAJUJCI-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000179395016 380540121 /nfs/dbraw/zinc/54/01/21/380540121.db2.gz HMHWXKIOJPIKMA-WXJAXGNASA-N 1 1 276.336 2.719 20 5 CFBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336814196 380674736 /nfs/dbraw/zinc/67/47/36/380674736.db2.gz FAJQZLLKIIMLHY-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336814196 380674745 /nfs/dbraw/zinc/67/47/45/380674745.db2.gz FAJQZLLKIIMLHY-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000572034463 383748522 /nfs/dbraw/zinc/74/85/22/383748522.db2.gz UGCFMDFGECOQKB-AWEZNQCLSA-N 1 1 283.331 2.979 20 5 CFBDMO CC1(C)CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408335489 380922008 /nfs/dbraw/zinc/92/20/08/380922008.db2.gz VKCHZIQPEHHPSW-HNNXBMFYSA-N 1 1 290.363 2.911 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295619984 380978910 /nfs/dbraw/zinc/97/89/10/380978910.db2.gz ZBMZDHZMZLJRAU-AWEZNQCLSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC23CCCCCC3)n1 ZINC000368401566 381014472 /nfs/dbraw/zinc/01/44/72/381014472.db2.gz DNUQVJSNJCTYPY-UHFFFAOYSA-N 1 1 292.383 2.980 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368524822 381055773 /nfs/dbraw/zinc/05/57/73/381055773.db2.gz CAJXUSIXGMFVPY-YDBFETGOSA-N 1 1 288.347 2.719 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000354077896 381062443 /nfs/dbraw/zinc/06/24/43/381062443.db2.gz JYMOGVAGYCUFKJ-VXGBXAGGSA-N 1 1 282.365 2.515 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353787 381072168 /nfs/dbraw/zinc/07/21/68/381072168.db2.gz REBZHYOPCWXOQR-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353787 381072170 /nfs/dbraw/zinc/07/21/70/381072170.db2.gz REBZHYOPCWXOQR-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCOC1 ZINC000347376086 381109184 /nfs/dbraw/zinc/10/91/84/381109184.db2.gz ZHBLPPRFIGECBV-INDWDQIESA-N 1 1 276.336 2.719 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@@H](C)O ZINC000347383685 381112717 /nfs/dbraw/zinc/11/27/17/381112717.db2.gz YSZPGPNVAYWOBM-CNELAYHGSA-N 1 1 278.352 2.701 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077334 381147046 /nfs/dbraw/zinc/14/70/46/381147046.db2.gz JWKJJVNUZRBHRI-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000347465582 381167853 /nfs/dbraw/zinc/16/78/53/381167853.db2.gz YLNKFCDQGKNJGO-UHFFFAOYSA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000368756713 381125179 /nfs/dbraw/zinc/12/51/79/381125179.db2.gz VIGYCUBEEDKZQK-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000295968045 381188650 /nfs/dbraw/zinc/18/86/50/381188650.db2.gz IEYOCOYLWKWTCI-SNVBAGLBSA-N 1 1 292.314 2.801 20 5 CFBDMO COc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000295991023 381201100 /nfs/dbraw/zinc/20/11/00/381201100.db2.gz LXDFNGCFDHUDEK-YOGCLGLASA-N 1 1 291.351 2.641 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000183356056 381259705 /nfs/dbraw/zinc/25/97/05/381259705.db2.gz OUGLIDLDEJXZGM-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617263 381259947 /nfs/dbraw/zinc/25/99/47/381259947.db2.gz NSXBVTJJXBQJSJ-NEPJUHHUSA-N 1 1 294.399 2.975 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359099104 381263553 /nfs/dbraw/zinc/26/35/53/381263553.db2.gz OAASGUOUEPYALT-QWHCGFSZSA-N 1 1 292.383 2.526 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369464656 381267858 /nfs/dbraw/zinc/26/78/58/381267858.db2.gz FXWQRJPDYQTJPT-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000342420140 381323488 /nfs/dbraw/zinc/32/34/88/381323488.db2.gz QDJVATAFTZXGFY-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342420140 381323499 /nfs/dbraw/zinc/32/34/99/381323499.db2.gz QDJVATAFTZXGFY-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000342413350 381317883 /nfs/dbraw/zinc/31/78/83/381317883.db2.gz ZQPGEKFXJBXQPX-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO COC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266881158 274041725 /nfs/dbraw/zinc/04/17/25/274041725.db2.gz AJZFTUASHYJBRQ-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266881158 274041728 /nfs/dbraw/zinc/04/17/28/274041728.db2.gz AJZFTUASHYJBRQ-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CC(=O)c1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342837387 381577079 /nfs/dbraw/zinc/57/70/79/381577079.db2.gz XOSJRZKLDYORCC-QMTHXVAHSA-N 1 1 291.351 2.692 20 5 CFBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371151115 381556558 /nfs/dbraw/zinc/55/65/58/381556558.db2.gz KRUVQNNSFJEVCU-NNQSOWQGSA-N 1 1 294.326 2.612 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355120290 381625177 /nfs/dbraw/zinc/62/51/77/381625177.db2.gz YFTZUSBREIKNPS-GJZGRUSLSA-N 1 1 290.363 2.904 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)OC ZINC000291202828 381706119 /nfs/dbraw/zinc/70/61/19/381706119.db2.gz JXZAYKPDEIWAHV-SNVBAGLBSA-N 1 1 270.304 2.591 20 5 CFBDMO CC(C)(C)[C@@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415051425 381736396 /nfs/dbraw/zinc/73/63/96/381736396.db2.gz JSMOFJSKHNMAKV-IZPAUZPXSA-N 1 1 277.368 2.571 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754301 381737550 /nfs/dbraw/zinc/73/75/50/381737550.db2.gz NQXYOAVPVWNRQG-JSGCOSHPSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@@H]1[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343481467 381743225 /nfs/dbraw/zinc/74/32/25/381743225.db2.gz SSBYRXVMDSLUSS-PRHODGIISA-N 1 1 285.294 2.768 20 5 CFBDMO Nc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000298783801 381748515 /nfs/dbraw/zinc/74/85/15/381748515.db2.gz YATYIGZUVROKJE-UHFFFAOYSA-N 1 1 298.346 2.737 20 5 CFBDMO Nc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000298783801 381748523 /nfs/dbraw/zinc/74/85/23/381748523.db2.gz YATYIGZUVROKJE-UHFFFAOYSA-N 1 1 298.346 2.737 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000372096700 381749443 /nfs/dbraw/zinc/74/94/43/381749443.db2.gz UELIZNSSSKDUFR-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000372093293 381749895 /nfs/dbraw/zinc/74/98/95/381749895.db2.gz CXJXUJXUOMXYNP-LLVKDONJSA-N 1 1 284.381 2.905 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000415066347 381752061 /nfs/dbraw/zinc/75/20/61/381752061.db2.gz OKMPIUYZCITXSG-CQSZACIVSA-N 1 1 277.368 2.510 20 5 CFBDMO Cc1ccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000372304495 381786486 /nfs/dbraw/zinc/78/64/86/381786486.db2.gz FTRYQRGKBTVIBO-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C4CC4)C3)nc2c1 ZINC000372337200 381793215 /nfs/dbraw/zinc/79/32/15/381793215.db2.gz BOQQSNYEKRHCSO-LLVKDONJSA-N 1 1 287.319 2.968 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000355693413 381795367 /nfs/dbraw/zinc/79/53/67/381795367.db2.gz XAKXACWRYOOXJM-CQSZACIVSA-N 1 1 264.325 2.594 20 5 CFBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000291849687 381777899 /nfs/dbraw/zinc/77/78/99/381777899.db2.gz OYRVFPJRTISUOP-OAHLLOKOSA-N 1 1 278.352 2.637 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343606268 381836712 /nfs/dbraw/zinc/83/67/12/381836712.db2.gz PBHFFVIOTJTFLT-RISCZKNCSA-N 1 1 293.367 2.636 20 5 CFBDMO CCc1noc(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000292823477 381852427 /nfs/dbraw/zinc/85/24/27/381852427.db2.gz ABPOFKROAWYTBO-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292924353 381905902 /nfs/dbraw/zinc/90/59/02/381905902.db2.gz YSYIYPAFTBQLPP-OAHLLOKOSA-N 1 1 293.342 2.656 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292928647 381908078 /nfs/dbraw/zinc/90/80/78/381908078.db2.gz ZBZTVLXHJBDGPD-HNNXBMFYSA-N 1 1 293.342 2.656 20 5 CFBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299496921 381962619 /nfs/dbraw/zinc/96/26/19/381962619.db2.gz HBOUZMGVMOWAOF-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373286628 381970899 /nfs/dbraw/zinc/97/08/99/381970899.db2.gz GMIYUAXYAUCZIX-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000349492759 381945205 /nfs/dbraw/zinc/94/52/05/381945205.db2.gz GNDVNRWWMDIPPY-CYBMUJFWSA-N 1 1 274.324 2.569 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299678613 382024886 /nfs/dbraw/zinc/02/48/86/382024886.db2.gz UUNOIRSAWUPSSP-LLVKDONJSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccnc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301265825 382128216 /nfs/dbraw/zinc/12/82/16/382128216.db2.gz GMCWOJKMBBMVTD-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351938523 382079765 /nfs/dbraw/zinc/07/97/65/382079765.db2.gz WLTOXWYLBCEFON-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000351942427 382081898 /nfs/dbraw/zinc/08/18/98/382081898.db2.gz GJEWOALCNLPISM-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000301561552 382176449 /nfs/dbraw/zinc/17/64/49/382176449.db2.gz UVAFAJDYYVYOCX-CQSZACIVSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293466144 382133011 /nfs/dbraw/zinc/13/30/11/382133011.db2.gz QODSMLWZRNTKEB-DLOVCJGASA-N 1 1 291.351 2.570 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293466144 382133016 /nfs/dbraw/zinc/13/30/16/382133016.db2.gz QODSMLWZRNTKEB-DLOVCJGASA-N 1 1 291.351 2.570 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376405327 382134620 /nfs/dbraw/zinc/13/46/20/382134620.db2.gz DPXKFMCDUJWBHK-OAHLLOKOSA-N 1 1 298.346 2.776 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139117 382153453 /nfs/dbraw/zinc/15/34/53/382153453.db2.gz YASWFVQGXONHPX-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139117 382153457 /nfs/dbraw/zinc/15/34/57/382153457.db2.gz YASWFVQGXONHPX-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293525835 382158972 /nfs/dbraw/zinc/15/89/72/382158972.db2.gz WNAKWAXLPYHCRT-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301394600 382166450 /nfs/dbraw/zinc/16/64/50/382166450.db2.gz KNNDQPOQCIQDTK-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352188347 382213277 /nfs/dbraw/zinc/21/32/77/382213277.db2.gz YFHBQKQAVJLVFU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352188347 382213286 /nfs/dbraw/zinc/21/32/86/382213286.db2.gz YFHBQKQAVJLVFU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCOCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357549019 382220392 /nfs/dbraw/zinc/22/03/92/382220392.db2.gz CTQGXUNDGLNXHX-LLVKDONJSA-N 1 1 252.314 2.624 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCCC[C@@H]1C ZINC000357699701 382284605 /nfs/dbraw/zinc/28/46/05/382284605.db2.gz VCVMYVBXAYTRJQ-NWDGAFQWSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@H](F)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352360546 382288844 /nfs/dbraw/zinc/28/88/44/382288844.db2.gz GCOAHNMSDARLHB-NSHDSACASA-N 1 1 254.305 2.817 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975638 382313047 /nfs/dbraw/zinc/31/30/47/382313047.db2.gz CDDFJQVFYHWNGE-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346199428 382335917 /nfs/dbraw/zinc/33/59/17/382335917.db2.gz VRFKTNVCAKDOSS-QWHCGFSZSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)[C@H]1C ZINC000419353598 382295430 /nfs/dbraw/zinc/29/54/30/382295430.db2.gz LLXLUMGIHCZXSE-VWYCJHECSA-N 1 1 288.351 2.947 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925671 382300159 /nfs/dbraw/zinc/30/01/59/382300159.db2.gz PFXLTWWJRRRVBL-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000188295991 382386122 /nfs/dbraw/zinc/38/61/22/382386122.db2.gz UXKFPZITMQILRS-IUODEOHRSA-N 1 1 278.352 2.760 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352540226 382386123 /nfs/dbraw/zinc/38/61/23/382386123.db2.gz ILPHIRULAQMJMF-STQMWFEESA-N 1 1 278.352 2.933 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798182 382347617 /nfs/dbraw/zinc/34/76/17/382347617.db2.gz FHBVZXLJMNKKRE-CMPLNLGQSA-N 1 1 286.335 2.526 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352659568 382436930 /nfs/dbraw/zinc/43/69/30/382436930.db2.gz OALJUEYTPUGROS-DGCLKSJQSA-N 1 1 284.743 2.593 20 5 CFBDMO CCSCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704976 382452426 /nfs/dbraw/zinc/45/24/26/382452426.db2.gz ICBHPJASYAKPAZ-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO CCSCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704976 382452429 /nfs/dbraw/zinc/45/24/29/382452429.db2.gz ICBHPJASYAKPAZ-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000420903779 382493434 /nfs/dbraw/zinc/49/34/34/382493434.db2.gz OVUYOFIFYQKBDR-OTVXOJSOSA-N 1 1 278.352 2.576 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294951789 382547159 /nfs/dbraw/zinc/54/71/59/382547159.db2.gz DCVILQVPDDUZHK-LBPRGKRZSA-N 1 1 252.339 2.532 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000353755930 382627423 /nfs/dbraw/zinc/62/74/23/382627423.db2.gz TUSBMWHUSFRPDJ-DGCLKSJQSA-N 1 1 297.424 2.961 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191011798 382688312 /nfs/dbraw/zinc/68/83/12/382688312.db2.gz AIDFBNQURPNFPU-WHWKNOJMSA-N 1 1 290.363 2.845 20 5 CFBDMO CC(C)C[N@H+]1CC[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193474743 382720158 /nfs/dbraw/zinc/72/01/58/382720158.db2.gz UAXNSFWZNULFBO-GFCCVEGCSA-N 1 1 292.383 2.567 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn(C)n1 ZINC000575072399 382725954 /nfs/dbraw/zinc/72/59/54/382725954.db2.gz ZSQIEWOCYHCABK-YGRLFVJLSA-N 1 1 286.335 2.666 20 5 CFBDMO CC(C)[C@@H]1CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337050464 382756073 /nfs/dbraw/zinc/75/60/73/382756073.db2.gz RFCLHNZIEGXWKZ-ZDUSSCGKSA-N 1 1 291.351 2.654 20 5 CFBDMO CC1(C)C[C@@H]([NH2+]Cc2cc[nH]n2)c2cc([N+](=O)[O-])ccc21 ZINC000576180443 382813184 /nfs/dbraw/zinc/81/31/84/382813184.db2.gz UBMLYEDTWTUWCE-CQSZACIVSA-N 1 1 286.335 2.830 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000337486930 382829800 /nfs/dbraw/zinc/82/98/00/382829800.db2.gz ZONFQFOGIIXQPW-CYBMUJFWSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651102 382838802 /nfs/dbraw/zinc/83/88/02/382838802.db2.gz HVJUAFKVVQOECA-VIFPVBQESA-N 1 1 286.763 2.785 20 5 CFBDMO C[N@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227890081 382841908 /nfs/dbraw/zinc/84/19/08/382841908.db2.gz GANBEMFEMQIIKV-SECBINFHSA-N 1 1 285.294 2.627 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000441343661 382908829 /nfs/dbraw/zinc/90/88/29/382908829.db2.gz WJXFGGDKQKWRIY-WCQYABFASA-N 1 1 294.351 2.603 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000441345255 382909091 /nfs/dbraw/zinc/90/90/91/382909091.db2.gz GLQOOTRGLZPIJY-RISCZKNCSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000230348801 382859458 /nfs/dbraw/zinc/85/94/58/382859458.db2.gz LCHCJZRXPPMOLW-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000230379776 382860975 /nfs/dbraw/zinc/86/09/75/382860975.db2.gz VWDVSDNLCCGFAT-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000441220661 382900862 /nfs/dbraw/zinc/90/08/62/382900862.db2.gz CYLHSTBBXQMDEB-LBPRGKRZSA-N 1 1 296.367 2.959 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441384248 382912907 /nfs/dbraw/zinc/91/29/07/382912907.db2.gz MYZLJGMBAQVJOB-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C)ccc1[N+](=O)[O-] ZINC000447054547 382993929 /nfs/dbraw/zinc/99/39/29/382993929.db2.gz ADPIAKOUJMNGHY-KGLIPLIRSA-N 1 1 289.379 2.966 20 5 CFBDMO C[C@H]1C[NH+](CCSc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000579259363 383000273 /nfs/dbraw/zinc/00/02/73/383000273.db2.gz SEYIPHGOZXQKES-RYUDHWBXSA-N 1 1 296.392 2.796 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000447905625 383029444 /nfs/dbraw/zinc/02/94/44/383029444.db2.gz UOSWXTDCXBVRJN-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000447905625 383029448 /nfs/dbraw/zinc/02/94/48/383029448.db2.gz UOSWXTDCXBVRJN-OAHLLOKOSA-N 1 1 291.395 2.805 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448362731 383058152 /nfs/dbraw/zinc/05/81/52/383058152.db2.gz OWFPCQRJOLADDU-CUXKMMBLSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717145 383027582 /nfs/dbraw/zinc/02/75/82/383027582.db2.gz HDPXGXJRXNUJBQ-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717145 383027586 /nfs/dbraw/zinc/02/75/86/383027586.db2.gz HDPXGXJRXNUJBQ-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717145 383027589 /nfs/dbraw/zinc/02/75/89/383027589.db2.gz HDPXGXJRXNUJBQ-DZGCQCFKSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924391 383121893 /nfs/dbraw/zinc/12/18/93/383121893.db2.gz QDTSLRRIKLYKLY-SWLSCSKDSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924391 383121898 /nfs/dbraw/zinc/12/18/98/383121898.db2.gz QDTSLRRIKLYKLY-SWLSCSKDSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924391 383121902 /nfs/dbraw/zinc/12/19/02/383121902.db2.gz QDTSLRRIKLYKLY-SWLSCSKDSA-N 1 1 291.395 2.818 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000608886382 383133920 /nfs/dbraw/zinc/13/39/20/383133920.db2.gz DSDHYVQYBMNPBP-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246637180 383088329 /nfs/dbraw/zinc/08/83/29/383088329.db2.gz WMZOCYKMPRBGOL-NHYWBVRUSA-N 1 1 292.335 2.541 20 5 CFBDMO CC[C@H]([NH3+])CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458775 383103322 /nfs/dbraw/zinc/10/33/22/383103322.db2.gz HGPPUPOZHVDLBC-RYUDHWBXSA-N 1 1 297.424 2.792 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145908 383147533 /nfs/dbraw/zinc/14/75/33/383147533.db2.gz WQLGFISXHFGVSD-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145908 383147536 /nfs/dbraw/zinc/14/75/36/383147536.db2.gz WQLGFISXHFGVSD-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000247156027 383148795 /nfs/dbraw/zinc/14/87/95/383148795.db2.gz XMLKUEXZBUIOMF-BXUZGUMPSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1nn(C[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000339113823 383153993 /nfs/dbraw/zinc/15/39/93/383153993.db2.gz IFLWRXJQQKUJFN-CYBMUJFWSA-N 1 1 280.372 2.671 20 5 CFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CN(C)C ZINC000449064904 383157908 /nfs/dbraw/zinc/15/79/08/383157908.db2.gz WWOBZLJMBDSIDR-ZDUSSCGKSA-N 1 1 293.411 2.703 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2F)c(F)c1 ZINC000339588537 383255408 /nfs/dbraw/zinc/25/54/08/383255408.db2.gz APXOHOYKPUXTLX-PWSUYJOCSA-N 1 1 256.252 2.714 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248624132 383273807 /nfs/dbraw/zinc/27/38/07/383273807.db2.gz NRPIBLSHTWENOW-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248624132 383273811 /nfs/dbraw/zinc/27/38/11/383273811.db2.gz NRPIBLSHTWENOW-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248624132 383273817 /nfs/dbraw/zinc/27/38/17/383273817.db2.gz NRPIBLSHTWENOW-ZFWWWQNUSA-N 1 1 291.395 2.818 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449489744 383327649 /nfs/dbraw/zinc/32/76/49/383327649.db2.gz AWKAIBYDCQHMPB-IUODEOHRSA-N 1 1 278.352 2.842 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449503341 383340561 /nfs/dbraw/zinc/34/05/61/383340561.db2.gz PLAHQNNGNVLIDH-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c(F)c1 ZINC000449425900 383286665 /nfs/dbraw/zinc/28/66/65/383286665.db2.gz JHIWUULIXONIRI-CYBMUJFWSA-N 1 1 250.273 2.718 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)c(F)c1 ZINC000449425900 383286669 /nfs/dbraw/zinc/28/66/69/383286669.db2.gz JHIWUULIXONIRI-CYBMUJFWSA-N 1 1 250.273 2.718 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672874 383425567 /nfs/dbraw/zinc/42/55/67/383425567.db2.gz DMZVNJNBSNUVEQ-NEPJUHHUSA-N 1 1 261.325 2.634 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cscn1)CC2 ZINC000450484665 383431224 /nfs/dbraw/zinc/43/12/24/383431224.db2.gz MAQRMWUBWBVDTE-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cscn1)CC2 ZINC000450484665 383431227 /nfs/dbraw/zinc/43/12/27/383431227.db2.gz MAQRMWUBWBVDTE-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253086884 383441438 /nfs/dbraw/zinc/44/14/38/383441438.db2.gz CNMHQLKRCVFVQS-NUEKZKHPSA-N 1 1 290.363 2.720 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000450549005 383456817 /nfs/dbraw/zinc/45/68/17/383456817.db2.gz UOQIXYUFDVAOMD-GFCCVEGCSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970578 383473596 /nfs/dbraw/zinc/47/35/96/383473596.db2.gz DXZQQGMGIGUSPR-NBVGUUKWSA-N 1 1 290.363 2.843 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255035676 383474102 /nfs/dbraw/zinc/47/41/02/383474102.db2.gz VWVAWWMWPGDJPV-BRLPQQTGSA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000428453166 383476457 /nfs/dbraw/zinc/47/64/57/383476457.db2.gz AKAGLIMMPJJBNX-HUUCEWRRSA-N 1 1 278.352 2.639 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252512985 383416928 /nfs/dbraw/zinc/41/69/28/383416928.db2.gz GMLKHWKHJUYTHL-RYUDHWBXSA-N 1 1 291.351 2.642 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000341126795 383575460 /nfs/dbraw/zinc/57/54/60/383575460.db2.gz RKCFYOYWYQAVRL-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000341136659 383579577 /nfs/dbraw/zinc/57/95/77/383579577.db2.gz IPFYZHIOJILRHZ-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489269757 383602910 /nfs/dbraw/zinc/60/29/10/383602910.db2.gz VENZLXKFEDDQAH-XHDPSFHLSA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000570463981 383606873 /nfs/dbraw/zinc/60/68/73/383606873.db2.gz IYVYGIVOTXOALR-CQSZACIVSA-N 1 1 291.395 2.805 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000450953939 383565927 /nfs/dbraw/zinc/56/59/27/383565927.db2.gz MKXMCGAGIYSQAY-NSHDSACASA-N 1 1 298.774 2.562 20 5 CFBDMO COC[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544898 383641535 /nfs/dbraw/zinc/64/15/35/383641535.db2.gz GDQAKYSVDWCZSD-JSGCOSHPSA-N 1 1 278.352 2.809 20 5 CFBDMO CC(C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548770 383642408 /nfs/dbraw/zinc/64/24/08/383642408.db2.gz OIRJQFCPVVONCL-ZDUSSCGKSA-N 1 1 278.352 2.545 20 5 CFBDMO COCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548449 383642685 /nfs/dbraw/zinc/64/26/85/383642685.db2.gz NHKKJBCNVFAKSC-CQSZACIVSA-N 1 1 278.352 2.811 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000570930959 383648472 /nfs/dbraw/zinc/64/84/72/383648472.db2.gz KBRUYMIDCNYOTE-LLVKDONJSA-N 1 1 296.346 2.805 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489472047 383621866 /nfs/dbraw/zinc/62/18/66/383621866.db2.gz BRRBLOVPXBCIHW-GFCCVEGCSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489472047 383621868 /nfs/dbraw/zinc/62/18/68/383621868.db2.gz BRRBLOVPXBCIHW-GFCCVEGCSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000453243973 383812772 /nfs/dbraw/zinc/81/27/72/383812772.db2.gz CDTISTKFQFCKBN-HUBLWGQQSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000453243973 383812778 /nfs/dbraw/zinc/81/27/78/383812778.db2.gz CDTISTKFQFCKBN-HUBLWGQQSA-N 1 1 277.368 2.586 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984322 383853002 /nfs/dbraw/zinc/85/30/02/383853002.db2.gz AACBSSRXJKMNJC-FZMZJTMJSA-N 1 1 277.368 2.512 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@@H]12 ZINC000531342498 383853748 /nfs/dbraw/zinc/85/37/48/383853748.db2.gz IAEIXYUACFETIQ-AGIUHOORSA-N 1 1 292.383 2.729 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272291 383880478 /nfs/dbraw/zinc/88/04/78/383880478.db2.gz XNOBETZOSLLWBA-LSDHHAIUSA-N 1 1 278.352 2.720 20 5 CFBDMO CCC(C)(C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265218582 383865442 /nfs/dbraw/zinc/86/54/42/383865442.db2.gz NBZHNWPXWYCCDX-UHFFFAOYSA-N 1 1 293.367 2.678 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCC1 ZINC000532586415 384048367 /nfs/dbraw/zinc/04/83/67/384048367.db2.gz VWULOXRZEWWWTN-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277126819 384207544 /nfs/dbraw/zinc/20/75/44/384207544.db2.gz RWKSAUYAPOKFES-UWVGGRQHSA-N 1 1 298.770 2.982 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000269641882 285094560 /nfs/dbraw/zinc/09/45/60/285094560.db2.gz OEEQGUNESUQUEK-QWHCGFSZSA-N 1 1 297.305 2.912 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000269100414 384726034 /nfs/dbraw/zinc/72/60/34/384726034.db2.gz RLYBNSHQFIWXFE-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663343 384713010 /nfs/dbraw/zinc/71/30/10/384713010.db2.gz CTSLCXTYKSXBSY-ZYHUDNBSSA-N 1 1 284.381 2.782 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663343 384713018 /nfs/dbraw/zinc/71/30/18/384713018.db2.gz CTSLCXTYKSXBSY-ZYHUDNBSSA-N 1 1 284.381 2.782 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269664863 384825314 /nfs/dbraw/zinc/82/53/14/384825314.db2.gz RLSHROXPXKUTIN-TYNCELHUSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269631623 384810540 /nfs/dbraw/zinc/81/05/40/384810540.db2.gz FXXHNSRHDSEARK-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269628701 384810949 /nfs/dbraw/zinc/81/09/49/384810949.db2.gz KLFWPPGGHNBXLM-JTQLQIEISA-N 1 1 299.321 2.651 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628061 384811319 /nfs/dbraw/zinc/81/13/19/384811319.db2.gz DFHKKXUMJCEMLP-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000270290583 385043308 /nfs/dbraw/zinc/04/33/08/385043308.db2.gz ODILAQNFSPUXOZ-GOEBONIOSA-N 1 1 298.346 2.847 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280638270 385096234 /nfs/dbraw/zinc/09/62/34/385096234.db2.gz YAWFNPRQOGXXSH-LBPRGKRZSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000133862940 285160911 /nfs/dbraw/zinc/16/09/11/285160911.db2.gz QQOORFKRZXBHMT-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000133862940 285160913 /nfs/dbraw/zinc/16/09/13/285160913.db2.gz QQOORFKRZXBHMT-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO Cc1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271013881 385301897 /nfs/dbraw/zinc/30/18/97/385301897.db2.gz QPRDWZIGRKLCCB-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO C[N@@H+](CCc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282508169 385330543 /nfs/dbraw/zinc/33/05/43/385330543.db2.gz RRQYHOPEQSPALI-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651971 385361653 /nfs/dbraw/zinc/36/16/53/385361653.db2.gz CIYVZMQRAHZIMJ-GJZGRUSLSA-N 1 1 296.342 2.859 20 5 CFBDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283286510 385453738 /nfs/dbraw/zinc/45/37/38/385453738.db2.gz MKKMKZWPRRSFBD-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283523223 385472713 /nfs/dbraw/zinc/47/27/13/385472713.db2.gz NFHWJWORDFVXQL-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO CC[N@@H+](CCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272300659 385502766 /nfs/dbraw/zinc/50/27/66/385502766.db2.gz ITXRIUUOBBPHFB-LBPRGKRZSA-N 1 1 266.341 2.669 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000288805837 197169571 /nfs/dbraw/zinc/16/95/71/197169571.db2.gz MCAQSIZHLVAWDA-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866512 385635468 /nfs/dbraw/zinc/63/54/68/385635468.db2.gz YPKMLSJKUSIKNF-QWRGUYRKSA-N 1 1 252.314 2.623 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000274903663 385893194 /nfs/dbraw/zinc/89/31/94/385893194.db2.gz TYQZJKMBLPZTBM-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288236028 197033242 /nfs/dbraw/zinc/03/32/42/197033242.db2.gz FKDUPNSNAYURNK-LBPRGKRZSA-N 1 1 295.358 2.902 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCCO1 ZINC000281250827 195167818 /nfs/dbraw/zinc/16/78/18/195167818.db2.gz MNXHYEXJEIKUBJ-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281661149 195325365 /nfs/dbraw/zinc/32/53/65/195325365.db2.gz KSBSPGYOVCWPRY-ONGXEEELSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281661149 195325366 /nfs/dbraw/zinc/32/53/66/195325366.db2.gz KSBSPGYOVCWPRY-ONGXEEELSA-N 1 1 270.354 2.656 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191956522 130338822 /nfs/dbraw/zinc/33/88/22/130338822.db2.gz CKPZWRUCMIEDQJ-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192178366 130387921 /nfs/dbraw/zinc/38/79/21/130387921.db2.gz SSSRIQXYPIAMEE-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192190389 130389850 /nfs/dbraw/zinc/38/98/50/130389850.db2.gz SKZIHEGVTCOEDY-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245453700 131085715 /nfs/dbraw/zinc/08/57/15/131085715.db2.gz RKIFOORPZXFPHG-ZYHUDNBSSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248358205 131114450 /nfs/dbraw/zinc/11/44/50/131114450.db2.gz QMPLRWKBXSMEJD-IJLUTSLNSA-N 1 1 291.351 2.652 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@H](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000269070673 132107896 /nfs/dbraw/zinc/10/78/96/132107896.db2.gz ZXXARTKZAGRDHM-YPMHNXCESA-N 1 1 279.384 2.894 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362800 132160203 /nfs/dbraw/zinc/16/02/03/132160203.db2.gz JSVAGEBVIICFBA-GZMMTYOYSA-N 1 1 296.758 2.538 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964448 393559490 /nfs/dbraw/zinc/55/94/90/393559490.db2.gz UAZPAWRYQWHCCR-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589574 393553926 /nfs/dbraw/zinc/55/39/26/393553926.db2.gz PJKUILQYGIWTRF-PWSUYJOCSA-N 1 1 277.324 2.731 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079949 393554156 /nfs/dbraw/zinc/55/41/56/393554156.db2.gz WZRYVXSUYVJHNX-VXGBXAGGSA-N 1 1 280.372 2.729 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000083171783 393741953 /nfs/dbraw/zinc/74/19/53/393741953.db2.gz NKWFYGAATZOSIM-UHFFFAOYSA-N 1 1 275.308 2.968 20 5 CFBDMO CCN1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000077248853 393696958 /nfs/dbraw/zinc/69/69/58/393696958.db2.gz HORRIKZVVIRZPO-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCN1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000077248853 393696965 /nfs/dbraw/zinc/69/69/65/393696965.db2.gz HORRIKZVVIRZPO-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411361323 393703508 /nfs/dbraw/zinc/70/35/08/393703508.db2.gz HAHDLMXINZWFQQ-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338785911 393798582 /nfs/dbraw/zinc/79/85/82/393798582.db2.gz BWSOZBXCHVQIJQ-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338785911 393798584 /nfs/dbraw/zinc/79/85/84/393798584.db2.gz BWSOZBXCHVQIJQ-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO CCC[C@@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245610396 393818688 /nfs/dbraw/zinc/81/86/88/393818688.db2.gz BACGSCCETAHBIW-CHWSQXEVSA-N 1 1 292.383 2.912 20 5 CFBDMO Cc1c(CN2CCN(C)c3[nH+]cccc32)cccc1[N+](=O)[O-] ZINC000342544677 393866666 /nfs/dbraw/zinc/86/66/66/393866666.db2.gz WAJBWQMDEMQDHV-UHFFFAOYSA-N 1 1 298.346 2.755 20 5 CFBDMO CC(C)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000119014806 393912949 /nfs/dbraw/zinc/91/29/49/393912949.db2.gz VYMGFLHRWHNMGM-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO CC(C)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000119014806 393912950 /nfs/dbraw/zinc/91/29/50/393912950.db2.gz VYMGFLHRWHNMGM-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCCO ZINC000471820743 393919921 /nfs/dbraw/zinc/91/99/21/393919921.db2.gz IBHZVXZGSIAJSC-JLHYYAGUSA-N 1 1 278.352 2.702 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430202432 393967382 /nfs/dbraw/zinc/96/73/82/393967382.db2.gz CRTKQMUKCZVYSS-JTQLQIEISA-N 1 1 252.314 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000430217668 393969835 /nfs/dbraw/zinc/96/98/35/393969835.db2.gz KBKVPFXFIHTZRB-SMDDNHRTSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000430228256 393971053 /nfs/dbraw/zinc/97/10/53/393971053.db2.gz RRTJREXMMNKIFG-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438357400 394079302 /nfs/dbraw/zinc/07/93/02/394079302.db2.gz XDJRAYKRGRRQBQ-RWMBFGLXSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438357400 394079305 /nfs/dbraw/zinc/07/93/05/394079305.db2.gz XDJRAYKRGRRQBQ-RWMBFGLXSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1cc(N2CCC[N@H+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359884420 394142423 /nfs/dbraw/zinc/14/24/23/394142423.db2.gz WCGNPMASGFWTKH-UHFFFAOYSA-N 1 1 295.358 2.963 20 5 CFBDMO C[C@@H]1CC[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360030921 394144749 /nfs/dbraw/zinc/14/47/49/394144749.db2.gz JYQTXWVRCCXAHI-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790451 394145896 /nfs/dbraw/zinc/14/58/96/394145896.db2.gz TWBGYTOAVBDTIP-NEPJUHHUSA-N 1 1 266.341 2.931 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421008565 394155053 /nfs/dbraw/zinc/15/50/53/394155053.db2.gz DFSPFSZPVVMAQG-AWEZNQCLSA-N 1 1 292.379 2.888 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747738 394199493 /nfs/dbraw/zinc/19/94/93/394199493.db2.gz GIZOUVONZHFMMI-GWCFXTLKSA-N 1 1 286.335 2.526 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000289660429 394221457 /nfs/dbraw/zinc/22/14/57/394221457.db2.gz YPHNSTVBBHEOJY-BETUJISGSA-N 1 1 264.325 2.512 20 5 CFBDMO CC(C)CCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364838008 394224366 /nfs/dbraw/zinc/22/43/66/394224366.db2.gz CCGZPESGULJSCU-ZDUSSCGKSA-N 1 1 280.372 2.864 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290392245 394229203 /nfs/dbraw/zinc/22/92/03/394229203.db2.gz IXHKQDPXHSHAEM-XJKSGUPXSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290392245 394229204 /nfs/dbraw/zinc/22/92/04/394229204.db2.gz IXHKQDPXHSHAEM-XJKSGUPXSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290392245 394229205 /nfs/dbraw/zinc/22/92/05/394229205.db2.gz IXHKQDPXHSHAEM-XJKSGUPXSA-N 1 1 291.395 2.675 20 5 CFBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290777101 394233456 /nfs/dbraw/zinc/23/34/56/394233456.db2.gz MKNIZGHAHRRKQO-CABCVRRESA-N 1 1 290.363 2.749 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449574256 394281770 /nfs/dbraw/zinc/28/17/70/394281770.db2.gz UEUVJTYJYCQBSL-FZMZJTMJSA-N 1 1 286.335 2.895 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000451243449 394370284 /nfs/dbraw/zinc/37/02/84/394370284.db2.gz BXIXTZBGJFOEMT-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000543793575 394743674 /nfs/dbraw/zinc/74/36/74/394743674.db2.gz MGHPAZICPLJKTI-ZDUSSCGKSA-N 1 1 292.383 2.749 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555076492 394965689 /nfs/dbraw/zinc/96/56/89/394965689.db2.gz CEYPMLQRAJWIJU-SKDRFNHKSA-N 1 1 286.278 2.969 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555076492 394965692 /nfs/dbraw/zinc/96/56/92/394965692.db2.gz CEYPMLQRAJWIJU-SKDRFNHKSA-N 1 1 286.278 2.969 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594955516 395104033 /nfs/dbraw/zinc/10/40/33/395104033.db2.gz AFJVVWUFCDXIQB-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594955516 395104035 /nfs/dbraw/zinc/10/40/35/395104035.db2.gz AFJVVWUFCDXIQB-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO C[C@@]12COC[C@@H]1CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601195126 397587371 /nfs/dbraw/zinc/58/73/71/397587371.db2.gz DWLXUNYVJUUMED-MEDUHNTESA-N 1 1 299.330 2.616 20 5 CFBDMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])cc3C)ccc2[nH+]1 ZINC000356732688 155343970 /nfs/dbraw/zinc/34/39/70/155343970.db2.gz AKCVCEVAPXPGRS-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791675 155370697 /nfs/dbraw/zinc/37/06/97/155370697.db2.gz JLBCJFRANPNUFH-RYUDHWBXSA-N 1 1 293.367 2.522 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC000293126038 292295439 /nfs/dbraw/zinc/29/54/39/292295439.db2.gz MQADMYBACYHJQV-OCCSQVGLSA-N 1 1 278.352 2.811 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000352315237 154530570 /nfs/dbraw/zinc/53/05/70/154530570.db2.gz NOMMGYZROVEMPP-UHFFFAOYSA-N 1 1 251.330 2.739 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363622627 156188877 /nfs/dbraw/zinc/18/88/77/156188877.db2.gz ZCWFCEYCGZRSPP-LBPRGKRZSA-N 1 1 295.770 2.923 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1F ZINC000342300080 161611317 /nfs/dbraw/zinc/61/13/17/161611317.db2.gz AJMGLTWQLSMADD-JTQLQIEISA-N 1 1 292.314 2.627 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344436224 162044173 /nfs/dbraw/zinc/04/41/73/162044173.db2.gz PVMAXXHKYPMNHE-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[NH+](C)C ZINC000344860659 162134909 /nfs/dbraw/zinc/13/49/09/162134909.db2.gz PPIDPSWAPPHINU-JLHYYAGUSA-N 1 1 277.368 2.539 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)C ZINC000344860659 162134912 /nfs/dbraw/zinc/13/49/12/162134912.db2.gz PPIDPSWAPPHINU-JLHYYAGUSA-N 1 1 277.368 2.539 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000345094476 162177424 /nfs/dbraw/zinc/17/74/24/162177424.db2.gz GLXSYKZMDKQHLH-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000345094476 162177429 /nfs/dbraw/zinc/17/74/29/162177429.db2.gz GLXSYKZMDKQHLH-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000345167170 162192002 /nfs/dbraw/zinc/19/20/02/162192002.db2.gz XRAXZEHCEHUAHQ-OLZOCXBDSA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346175788 162343298 /nfs/dbraw/zinc/34/32/98/162343298.db2.gz HYFSEGKQAFDKGM-OLZOCXBDSA-N 1 1 277.368 2.509 20 5 CFBDMO CCC[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346349190 162389000 /nfs/dbraw/zinc/38/90/00/162389000.db2.gz ZDCASJDQDXBZRQ-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO CCc1[nH+]ccn1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000349817236 163019794 /nfs/dbraw/zinc/01/97/94/163019794.db2.gz TVKVWQDJDPIWBV-UHFFFAOYSA-N 1 1 267.235 2.680 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000350361822 163074241 /nfs/dbraw/zinc/07/42/41/163074241.db2.gz WVJGCAFEUXAILJ-OAHLLOKOSA-N 1 1 278.352 2.760 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000350361822 163074243 /nfs/dbraw/zinc/07/42/43/163074243.db2.gz WVJGCAFEUXAILJ-OAHLLOKOSA-N 1 1 278.352 2.760 20 5 CFBDMO CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352682138 163221290 /nfs/dbraw/zinc/22/12/90/163221290.db2.gz ZUIQKTFUJAIICH-UHFFFAOYSA-N 1 1 250.298 2.589 20 5 CFBDMO CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352682138 163221291 /nfs/dbraw/zinc/22/12/91/163221291.db2.gz ZUIQKTFUJAIICH-UHFFFAOYSA-N 1 1 250.298 2.589 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352776562 163232980 /nfs/dbraw/zinc/23/29/80/163232980.db2.gz CYFYZXHGWVFUNU-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cs1 ZINC000353021884 163289026 /nfs/dbraw/zinc/28/90/26/163289026.db2.gz KTOXNFRAVVVPJK-MRVPVSSYSA-N 1 1 292.307 2.717 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)cs1 ZINC000353021884 163289028 /nfs/dbraw/zinc/28/90/28/163289028.db2.gz KTOXNFRAVVVPJK-MRVPVSSYSA-N 1 1 292.307 2.717 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn3ccccc23)cs1 ZINC000353033283 163293050 /nfs/dbraw/zinc/29/30/50/163293050.db2.gz IPUOGPUCQMNESX-UHFFFAOYSA-N 1 1 288.332 2.594 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000353408730 163358476 /nfs/dbraw/zinc/35/84/76/163358476.db2.gz VAPGOPZNGMXGHH-YCPHGPKFSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000353408730 163358480 /nfs/dbraw/zinc/35/84/80/163358480.db2.gz VAPGOPZNGMXGHH-YCPHGPKFSA-N 1 1 289.379 2.557 20 5 CFBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429314120 287230064 /nfs/dbraw/zinc/23/00/64/287230064.db2.gz YGSAXEQPSRSPMP-NXEZZACHSA-N 1 1 298.770 2.982 20 5 CFBDMO C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000007785755 170302719 /nfs/dbraw/zinc/30/27/19/170302719.db2.gz UOPQGHLYXMPHOO-UHFFFAOYSA-N 1 1 299.330 2.665 20 5 CFBDMO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000007785755 170302720 /nfs/dbraw/zinc/30/27/20/170302720.db2.gz UOPQGHLYXMPHOO-UHFFFAOYSA-N 1 1 299.330 2.665 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285249968 196233075 /nfs/dbraw/zinc/23/30/75/196233075.db2.gz HCVXHEYWVMBHNV-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO C[N@@H+](CCCCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285321751 196250340 /nfs/dbraw/zinc/25/03/40/196250340.db2.gz NBARJAVKDOALOY-UHFFFAOYSA-N 1 1 280.368 2.622 20 5 CFBDMO Cc1nnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285293989 196243511 /nfs/dbraw/zinc/24/35/11/196243511.db2.gz KONGLNKFYVRZLK-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1nnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285293989 196243512 /nfs/dbraw/zinc/24/35/12/196243512.db2.gz KONGLNKFYVRZLK-SNVBAGLBSA-N 1 1 290.323 2.522 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285617198 196345880 /nfs/dbraw/zinc/34/58/80/196345880.db2.gz KDDAYVUFVIRCMV-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CCO)CC1 ZINC000401005487 260130780 /nfs/dbraw/zinc/13/07/80/260130780.db2.gz OWZHCFZPSFCUDI-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291280945 263121033 /nfs/dbraw/zinc/12/10/33/263121033.db2.gz ORIDWMSFRPCPQL-VFQAQYNWSA-N 1 1 298.346 2.752 20 5 CFBDMO CC(=O)c1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000519201162 265363174 /nfs/dbraw/zinc/36/31/74/265363174.db2.gz GQKPEJRLDZMITJ-GFCCVEGCSA-N 1 1 291.351 2.551 20 5 CFBDMO CCOc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226571737 270257052 /nfs/dbraw/zinc/25/70/52/270257052.db2.gz PAWSHNMACBBQQI-AAEUAGOBSA-N 1 1 293.367 2.888 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000514807504 270355249 /nfs/dbraw/zinc/35/52/49/270355249.db2.gz WAZAJBLXBBTENL-JTQLQIEISA-N 1 1 264.325 2.834 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635642 274083587 /nfs/dbraw/zinc/08/35/87/274083587.db2.gz UZYZIUQVBWUVMU-CABCVRRESA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@@H](SCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000160050533 274275120 /nfs/dbraw/zinc/27/51/20/274275120.db2.gz HQQRMRQPUKYHMC-GFCCVEGCSA-N 1 1 296.392 2.721 20 5 CFBDMO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000339611010 274353091 /nfs/dbraw/zinc/35/30/91/274353091.db2.gz APKSCRGDANVCPM-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000227888387 275033735 /nfs/dbraw/zinc/03/37/35/275033735.db2.gz XAZZAVIHOIAKSK-NXEZZACHSA-N 1 1 297.305 2.912 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000267279361 276073507 /nfs/dbraw/zinc/07/35/07/276073507.db2.gz UWFLSNLBCFGSDE-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CCN1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000038098034 276151819 /nfs/dbraw/zinc/15/18/19/276151819.db2.gz XWSFDMVPPNUKOH-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343437549 276277096 /nfs/dbraw/zinc/27/70/96/276277096.db2.gz MWUGCQIOOATPOR-LLVKDONJSA-N 1 1 280.324 2.541 20 5 CFBDMO COC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229424 277315792 /nfs/dbraw/zinc/31/57/92/277315792.db2.gz NUMWEJVIQDGXGX-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO CC(C)c1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360510 278081854 /nfs/dbraw/zinc/08/18/54/278081854.db2.gz OLUHXKJVBQCTRT-UHFFFAOYSA-N 1 1 290.279 2.871 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000134824098 278379484 /nfs/dbraw/zinc/37/94/84/278379484.db2.gz GTZOIMVGTYOPLJ-GHMZBOCLSA-N 1 1 293.367 2.549 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301401595 279398596 /nfs/dbraw/zinc/39/85/96/279398596.db2.gz CIXZAPZFEUHBMD-QWHCGFSZSA-N 1 1 277.368 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1(CO)CC1 ZINC000186771244 281019568 /nfs/dbraw/zinc/01/95/68/281019568.db2.gz XGIPIDLMAFPYCH-GFCCVEGCSA-N 1 1 278.352 2.669 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420300905 281021963 /nfs/dbraw/zinc/02/19/63/281021963.db2.gz DHXDICPFPQJHDQ-AGIUHOORSA-N 1 1 277.368 2.633 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251022618 281071424 /nfs/dbraw/zinc/07/14/24/281071424.db2.gz WAARGZCURORSAC-STQMWFEESA-N 1 1 275.352 2.942 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251948797 281075704 /nfs/dbraw/zinc/07/57/04/281075704.db2.gz VGPRWTPPSISDAH-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251948797 281075705 /nfs/dbraw/zinc/07/57/05/281075705.db2.gz VGPRWTPPSISDAH-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](CCc1cscn1)Cc1ccccc1[N+](=O)[O-] ZINC000284402559 281132129 /nfs/dbraw/zinc/13/21/29/281132129.db2.gz WOJNBNXKMDWFSJ-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728744 281208048 /nfs/dbraw/zinc/20/80/48/281208048.db2.gz IGSWPDYOFYWVCR-GHMZBOCLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000398728744 281208049 /nfs/dbraw/zinc/20/80/49/281208049.db2.gz IGSWPDYOFYWVCR-GHMZBOCLSA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535035582 281494706 /nfs/dbraw/zinc/49/47/06/281494706.db2.gz CQXPCZQWAHHXGG-UHFFFAOYSA-N 1 1 299.330 2.600 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[NH+]2[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000547769249 281753366 /nfs/dbraw/zinc/75/33/66/281753366.db2.gz VVBGKWGEBAOZSI-FOGDFJRCSA-N 1 1 291.351 2.713 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000559096871 282001158 /nfs/dbraw/zinc/00/11/58/282001158.db2.gz DDHHTHMJBMVFGC-PYEVWLCESA-N 1 1 298.289 2.922 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000559096871 282001161 /nfs/dbraw/zinc/00/11/61/282001161.db2.gz DDHHTHMJBMVFGC-PYEVWLCESA-N 1 1 298.289 2.922 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000559295979 282004739 /nfs/dbraw/zinc/00/47/39/282004739.db2.gz VJRSZEAKKZGLJN-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000312302840 290016389 /nfs/dbraw/zinc/01/63/89/290016389.db2.gz XGGOQVSAPLZHHZ-SNVBAGLBSA-N 1 1 279.315 2.630 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817559 290244254 /nfs/dbraw/zinc/24/42/54/290244254.db2.gz MQZNIRAXWALJOB-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867194 290251601 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Cc1ccc(NCc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])c1 ZINC000895464979 618600000 /nfs/dbraw/zinc/60/00/00/618600000.db2.gz FZQXHYOHTMDWSK-UHFFFAOYSA-N 1 1 286.335 2.976 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccnnc1)c1ccccc1[N+](=O)[O-] ZINC000925690044 618933809 /nfs/dbraw/zinc/93/38/09/618933809.db2.gz CZXUHHWTPGHQEI-WDEREUQCSA-N 1 1 272.308 2.797 20 5 CFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677232 619154193 /nfs/dbraw/zinc/15/41/93/619154193.db2.gz RCLAPXHPXVRWRF-CMPLNLGQSA-N 1 1 294.351 2.929 20 5 CFBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841694923 619168595 /nfs/dbraw/zinc/16/85/95/619168595.db2.gz YRGYRWYEAITYCN-OLZOCXBDSA-N 1 1 280.372 2.895 20 5 CFBDMO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925840005 619173906 /nfs/dbraw/zinc/17/39/06/619173906.db2.gz FLAVFGVHLJZENX-DAXOMENPSA-N 1 1 289.379 2.778 20 5 CFBDMO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932271231 619238105 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/nfs/dbraw/zinc/11/20/88/623112088.db2.gz GAXQYPRPLNTPIH-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1[nH+]ccn1CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000311908214 623484623 /nfs/dbraw/zinc/48/46/23/623484623.db2.gz BRHMLOHDXVHMTM-UHFFFAOYSA-N 1 1 260.297 2.520 20 5 CFBDMO CC[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000153339508 623932722 /nfs/dbraw/zinc/93/27/22/623932722.db2.gz YOVBKBBWLRFNBU-ZDUSSCGKSA-N 1 1 280.372 2.878 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000830561479 624780203 /nfs/dbraw/zinc/78/02/03/624780203.db2.gz ZOMQMAJJUFPOBY-UHFFFAOYSA-N 1 1 297.330 2.793 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000174948649 624915766 /nfs/dbraw/zinc/91/57/66/624915766.db2.gz UXXFBZZCKIKWBJ-SNVBAGLBSA-N 1 1 268.361 2.734 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068449970 624999281 /nfs/dbraw/zinc/99/92/81/624999281.db2.gz GPGCHCCDGXYSEO-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560836 626308957 /nfs/dbraw/zinc/30/89/57/626308957.db2.gz WNXIAQKQPUVEJA-DOMZBBRYSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560836 626308961 /nfs/dbraw/zinc/30/89/61/626308961.db2.gz WNXIAQKQPUVEJA-DOMZBBRYSA-N 1 1 291.395 2.900 20 5 CFBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923499202 626477381 /nfs/dbraw/zinc/47/73/81/626477381.db2.gz RHHBADVGRISYGJ-MNOVXSKESA-N 1 1 297.786 2.665 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839193023 626530924 /nfs/dbraw/zinc/53/09/24/626530924.db2.gz VVHAIDQOSLKCFW-AWEZNQCLSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659018 626549777 /nfs/dbraw/zinc/54/97/77/626549777.db2.gz UQUOHEVZJOFJQX-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924707 626702737 /nfs/dbraw/zinc/70/27/37/626702737.db2.gz ZGPQSOWEKPQKIR-WFASDCNBSA-N 1 1 292.379 2.996 20 5 CFBDMO COC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761505158 626841765 /nfs/dbraw/zinc/84/17/65/626841765.db2.gz HMMWAOAYMVLIEH-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000851805487 634539845 /nfs/dbraw/zinc/53/98/45/634539845.db2.gz CAWVXFNRTWNKQG-ZDUSSCGKSA-N 1 1 287.319 2.708 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000851805487 634539851 /nfs/dbraw/zinc/53/98/51/634539851.db2.gz CAWVXFNRTWNKQG-ZDUSSCGKSA-N 1 1 287.319 2.708 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764845102 627101255 /nfs/dbraw/zinc/10/12/55/627101255.db2.gz OHCOXHZETDZJJF-LLVKDONJSA-N 1 1 288.351 2.942 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636522 627151849 /nfs/dbraw/zinc/15/18/49/627151849.db2.gz QJYNRDNLKWNCPN-GHMZBOCLSA-N 1 1 281.331 2.653 20 5 CFBDMO CCCCC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000767764917 627283240 /nfs/dbraw/zinc/28/32/40/627283240.db2.gz NIDNJPPAIYDABG-LBPRGKRZSA-N 1 1 266.345 2.794 20 5 CFBDMO CCCCC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000767764917 627283243 /nfs/dbraw/zinc/28/32/43/627283243.db2.gz NIDNJPPAIYDABG-LBPRGKRZSA-N 1 1 266.345 2.794 20 5 CFBDMO CO[C@@H]1CC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869957 634564885 /nfs/dbraw/zinc/56/48/85/634564885.db2.gz WOJDZTGCIGPNBA-QWHCGFSZSA-N 1 1 276.336 2.520 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1CC=CC1)C2 ZINC000851869828 634565817 /nfs/dbraw/zinc/56/58/17/634565817.db2.gz SEQSBDSOYSCLBK-UHFFFAOYSA-N 1 1 258.321 2.919 20 5 CFBDMO COC(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000851883159 634569876 /nfs/dbraw/zinc/56/98/76/634569876.db2.gz OXAGNFWUKOXJQP-UHFFFAOYSA-N 1 1 294.351 2.568 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000770671339 627539548 /nfs/dbraw/zinc/53/95/48/627539548.db2.gz XHOPWYJHOMTFHU-LLVKDONJSA-N 1 1 292.383 2.878 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000770671339 627539549 /nfs/dbraw/zinc/53/95/49/627539549.db2.gz XHOPWYJHOMTFHU-LLVKDONJSA-N 1 1 292.383 2.878 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904460 627978239 /nfs/dbraw/zinc/97/82/39/627978239.db2.gz SWWCZEYQPKQGPN-NXEZZACHSA-N 1 1 279.296 2.733 20 5 CFBDMO C[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732787 628060067 /nfs/dbraw/zinc/06/00/67/628060067.db2.gz VTLSONXUTJYOLP-SWLSCSKDSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279074 628126007 /nfs/dbraw/zinc/12/60/07/628126007.db2.gz WYPKRWJMAZDBPX-SWLSCSKDSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776581546 628160386 /nfs/dbraw/zinc/16/03/86/628160386.db2.gz JTDAZXNHLXBJCA-CYBMUJFWSA-N 1 1 266.341 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000776582521 628161065 /nfs/dbraw/zinc/16/10/65/628161065.db2.gz VAPFYVIVXAZYCE-HOTGVXAUSA-N 1 1 290.363 2.893 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860977 628415371 /nfs/dbraw/zinc/41/53/71/628415371.db2.gz LKMVCCWAFZAZGY-YPMHNXCESA-N 1 1 280.372 2.958 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500785 628469775 /nfs/dbraw/zinc/46/97/75/628469775.db2.gz YELXRBJJTLCYRN-CYBMUJFWSA-N 1 1 280.372 2.734 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCO)C2CC2)cc1Cl ZINC000783566573 628721138 /nfs/dbraw/zinc/72/11/38/628721138.db2.gz HYUVFOHLSXUSQC-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1ccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000784027167 628765909 /nfs/dbraw/zinc/76/59/09/628765909.db2.gz VDEXDVXHNSBCGO-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000784027167 628765913 /nfs/dbraw/zinc/76/59/13/628765913.db2.gz VDEXDVXHNSBCGO-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514520 628822996 /nfs/dbraw/zinc/82/29/96/628822996.db2.gz XKFPOPXXXVQOIX-HIFRSBDPSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788465475 629071061 /nfs/dbraw/zinc/07/10/61/629071061.db2.gz VVSHOHGXPBOLJH-PEGIJTEDSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788465475 629071065 /nfs/dbraw/zinc/07/10/65/629071065.db2.gz VVSHOHGXPBOLJH-PEGIJTEDSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452246 629158153 /nfs/dbraw/zinc/15/81/53/629158153.db2.gz SBEJUGDXRCHSCZ-IATRGZMQSA-N 1 1 292.379 2.995 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccnc1F ZINC000793285340 629521148 /nfs/dbraw/zinc/52/11/48/629521148.db2.gz UKFZMTLWBCDPLE-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO Cc1nn(C[N@@H+](CC2CC2)CC2CCC2)c(C)c1[N+](=O)[O-] ZINC000794713535 629678581 /nfs/dbraw/zinc/67/85/81/629678581.db2.gz INHXCHZLTPLVRQ-UHFFFAOYSA-N 1 1 292.383 2.878 20 5 CFBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000796202736 629889301 /nfs/dbraw/zinc/88/93/01/629889301.db2.gz LEEZOHSQHFNXDU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000796202736 629889304 /nfs/dbraw/zinc/88/93/04/629889304.db2.gz LEEZOHSQHFNXDU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796532320 629931361 /nfs/dbraw/zinc/93/13/61/629931361.db2.gz DEHFBPBLGKWCQG-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO CC1=C(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796592137 629939312 /nfs/dbraw/zinc/93/93/12/629939312.db2.gz AZPAIJXPXZYPPP-OAHLLOKOSA-N 1 1 276.336 2.670 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)C1CCCC1 ZINC000797422076 630063912 /nfs/dbraw/zinc/06/39/12/630063912.db2.gz SDPMRKIFRDYIKT-UHFFFAOYSA-N 1 1 293.323 2.792 20 5 CFBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000110717659 634785723 /nfs/dbraw/zinc/78/57/23/634785723.db2.gz XFHFVZKZVWCWTF-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526742 630077344 /nfs/dbraw/zinc/07/73/44/630077344.db2.gz XORMSXMDTWEAEZ-XHDPSFHLSA-N 1 1 276.336 2.526 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798964468 630265628 /nfs/dbraw/zinc/26/56/28/630265628.db2.gz QSGJUWYNXTZELA-CQSZACIVSA-N 1 1 283.331 2.979 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965793 630266419 /nfs/dbraw/zinc/26/64/19/630266419.db2.gz ZOEKSIOUEHLXLD-ZDUSSCGKSA-N 1 1 283.331 2.979 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCOC1 ZINC000801509938 630451728 /nfs/dbraw/zinc/45/17/28/630451728.db2.gz BRXWBMRGWOAATO-GFCCVEGCSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000812460745 631721613 /nfs/dbraw/zinc/72/16/13/631721613.db2.gz ZFEVIRPLMINNRP-LLVKDONJSA-N 1 1 281.331 2.939 20 5 CFBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779848 631771524 /nfs/dbraw/zinc/77/15/24/631771524.db2.gz ZXOMUWDQRSJXBJ-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843052962 631817896 /nfs/dbraw/zinc/81/78/96/631817896.db2.gz QOEOPSNHUZHVFB-SNVBAGLBSA-N 1 1 297.786 2.807 20 5 CFBDMO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000814938714 632175466 /nfs/dbraw/zinc/17/54/66/632175466.db2.gz SFTQCFSMJLXMPU-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000814938714 632175469 /nfs/dbraw/zinc/17/54/69/632175469.db2.gz SFTQCFSMJLXMPU-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628050 632300668 /nfs/dbraw/zinc/30/06/68/632300668.db2.gz PWYRJGQJEDDHAW-NWDGAFQWSA-N 1 1 294.399 2.556 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628050 632300672 /nfs/dbraw/zinc/30/06/72/632300672.db2.gz PWYRJGQJEDDHAW-NWDGAFQWSA-N 1 1 294.399 2.556 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000845578747 632469469 /nfs/dbraw/zinc/46/94/69/632469469.db2.gz JKBHYDQEBWMIRJ-UHFFFAOYSA-N 1 1 280.372 2.567 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111341 632634706 /nfs/dbraw/zinc/63/47/06/632634706.db2.gz LRRLJYHXYCTKOL-BFJGBIGKSA-N 1 1 280.274 2.805 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111341 632634712 /nfs/dbraw/zinc/63/47/12/632634712.db2.gz LRRLJYHXYCTKOL-BFJGBIGKSA-N 1 1 280.274 2.805 20 5 CFBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000848518977 633272796 /nfs/dbraw/zinc/27/27/96/633272796.db2.gz KGKUPHGHZHGBAI-XCBNKYQSSA-N 1 1 283.715 2.903 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(F)n1 ZINC000848536000 633281417 /nfs/dbraw/zinc/28/14/17/633281417.db2.gz MOHIXUBETZZRIH-ZDUSSCGKSA-N 1 1 287.294 2.906 20 5 CFBDMO CCn1nccc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000853094103 634902233 /nfs/dbraw/zinc/90/22/33/634902233.db2.gz YGKKELRKALGDOJ-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853575018 635039170 /nfs/dbraw/zinc/03/91/70/635039170.db2.gz XIDVZXPGZCWXQD-CHWSQXEVSA-N 1 1 298.346 2.758 20 5 CFBDMO CCC(CC)CCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000853589126 635043227 /nfs/dbraw/zinc/04/32/27/635043227.db2.gz MAONFYCJXLKWMP-UHFFFAOYSA-N 1 1 268.361 2.897 20 5 CFBDMO CCC(CC)CCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000853589126 635043233 /nfs/dbraw/zinc/04/32/33/635043233.db2.gz MAONFYCJXLKWMP-UHFFFAOYSA-N 1 1 268.361 2.897 20 5 CFBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853627071 635052265 /nfs/dbraw/zinc/05/22/65/635052265.db2.gz NHKNRUQWJFNIJI-GFCCVEGCSA-N 1 1 288.351 2.880 20 5 CFBDMO NC(CC1CC1)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853673679 635069770 /nfs/dbraw/zinc/06/97/70/635069770.db2.gz WOWCEBWDYQBESO-UHFFFAOYSA-N 1 1 285.250 2.672 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000858780288 636343666 /nfs/dbraw/zinc/34/36/66/636343666.db2.gz MFWKFAQKVXTOOB-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO CCO[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207860 636502668 /nfs/dbraw/zinc/50/26/68/636502668.db2.gz AOPKUPJCZKPIMA-MRXNPFEDSA-N 1 1 290.363 2.768 20 5 CFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862441305 637380612 /nfs/dbraw/zinc/38/06/12/637380612.db2.gz QHMHMYUUGHUUAZ-DTORHVGOSA-N 1 1 297.152 2.809 20 5 CFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862441305 637380620 /nfs/dbraw/zinc/38/06/20/637380620.db2.gz QHMHMYUUGHUUAZ-DTORHVGOSA-N 1 1 297.152 2.809 20 5 CFBDMO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1nccn1C ZINC000866540217 638838801 /nfs/dbraw/zinc/83/88/01/638838801.db2.gz LEYCJYLTBQZLRR-ZDUSSCGKSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582124 638848526 /nfs/dbraw/zinc/84/85/26/638848526.db2.gz DLKMRKMGMGNEOP-XNRPHZJLSA-N 1 1 289.379 2.682 20 5 CFBDMO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000193052070 650619628 /nfs/dbraw/zinc/61/96/28/650619628.db2.gz NDSKGSHVLCDVFF-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019487 641549556 /nfs/dbraw/zinc/54/95/56/641549556.db2.gz YGXILZJAUQGWJE-RYUDHWBXSA-N 1 1 295.358 2.869 20 5 CFBDMO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019487 641549558 /nfs/dbraw/zinc/54/95/58/641549558.db2.gz YGXILZJAUQGWJE-RYUDHWBXSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037507 641570603 /nfs/dbraw/zinc/57/06/03/641570603.db2.gz CNUPUHZDFXTCBE-SDDRHHMPSA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129800 641657612 /nfs/dbraw/zinc/65/76/12/641657612.db2.gz UTQIKHKGJSFSQL-XQQFMLRXSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129800 641657615 /nfs/dbraw/zinc/65/76/15/641657615.db2.gz UTQIKHKGJSFSQL-XQQFMLRXSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000872129802 641658033 /nfs/dbraw/zinc/65/80/33/641658033.db2.gz UVKVZUSXEAUBKQ-MCIONIFRSA-N 1 1 289.379 2.872 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080677953 650703438 /nfs/dbraw/zinc/70/34/38/650703438.db2.gz BVYHVCDWMVXRCK-UHFFFAOYSA-N 1 1 296.327 2.647 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000873048310 641994976 /nfs/dbraw/zinc/99/49/76/641994976.db2.gz WHOPVLLICIEHSY-AWEZNQCLSA-N 1 1 291.395 2.643 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCn1cccn1 ZINC000876732074 642987426 /nfs/dbraw/zinc/98/74/26/642987426.db2.gz WLDPVFYLVYXQCQ-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCCCCO ZINC000877484899 643300932 /nfs/dbraw/zinc/30/09/32/643300932.db2.gz HPDFFFVEUZLBNI-UHFFFAOYSA-N 1 1 280.368 2.806 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245753612 650833092 /nfs/dbraw/zinc/83/30/92/650833092.db2.gz OLNVWBBGVVQSFE-NWDGAFQWSA-N 1 1 288.351 2.880 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000877585379 643380625 /nfs/dbraw/zinc/38/06/25/643380625.db2.gz GGAONXBTBQTFAY-CJNGLKHVSA-N 1 1 290.363 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000877638584 643423816 /nfs/dbraw/zinc/42/38/16/643423816.db2.gz ZQOFYVHHTPYDRX-ZIAGYGMSSA-N 1 1 290.363 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000877646454 643429766 /nfs/dbraw/zinc/42/97/66/643429766.db2.gz IKRYXANRDRJMQS-BXUZGUMPSA-N 1 1 292.379 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1(C)COC1 ZINC000877652131 643433799 /nfs/dbraw/zinc/43/37/99/643433799.db2.gz BJPSZYNFHYNQEE-UHFFFAOYSA-N 1 1 278.352 2.680 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739170 643502890 /nfs/dbraw/zinc/50/28/90/643502890.db2.gz RRKOYLYSMYNSAF-NWDGAFQWSA-N 1 1 296.367 2.919 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877752826 643530890 /nfs/dbraw/zinc/53/08/90/643530890.db2.gz SWGAKOWLWRXKMU-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877752826 643530896 /nfs/dbraw/zinc/53/08/96/643530896.db2.gz SWGAKOWLWRXKMU-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)(O)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877835347 643601511 /nfs/dbraw/zinc/60/15/11/643601511.db2.gz PKSULHPASVZALB-VSKVDJIOSA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563541 644321909 /nfs/dbraw/zinc/32/19/09/644321909.db2.gz CIQNNRBYRSOIBZ-VXGBXAGGSA-N 1 1 296.367 2.919 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879619692 644349567 /nfs/dbraw/zinc/34/95/67/644349567.db2.gz ZRCFXQUASTXYAG-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879619692 644349574 /nfs/dbraw/zinc/34/95/74/644349574.db2.gz ZRCFXQUASTXYAG-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879619691 644349822 /nfs/dbraw/zinc/34/98/22/644349822.db2.gz ZRCFXQUASTXYAG-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879619691 644349825 /nfs/dbraw/zinc/34/98/25/644349825.db2.gz ZRCFXQUASTXYAG-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880139589 644549778 /nfs/dbraw/zinc/54/97/78/644549778.db2.gz ALMMKRWXJBNEGV-DGCLKSJQSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000880141241 644551994 /nfs/dbraw/zinc/55/19/94/644551994.db2.gz OJINHVAUIQXVIX-CABCVRRESA-N 1 1 289.379 2.572 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880299300 644639641 /nfs/dbraw/zinc/63/96/41/644639641.db2.gz FPNYCJXVAJNKBF-VIFPVBQESA-N 1 1 256.252 2.525 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881774686 645125149 /nfs/dbraw/zinc/12/51/49/645125149.db2.gz ZYTSZSDOWWUPSS-NSHDSACASA-N 1 1 296.346 2.805 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882388068 645296220 /nfs/dbraw/zinc/29/62/20/645296220.db2.gz UFNISXSFXCUWQX-JTQLQIEISA-N 1 1 284.335 2.661 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000135269485 646501562 /nfs/dbraw/zinc/50/15/62/646501562.db2.gz MGWLLOVVLLELLU-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000886038480 646834932 /nfs/dbraw/zinc/83/49/32/646834932.db2.gz WJMBURXKDLNGJA-STQMWFEESA-N 1 1 293.392 2.850 20 5 CFBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000886065026 646850870 /nfs/dbraw/zinc/85/08/70/646850870.db2.gz NQLHBWWSRXMRLL-CQSZACIVSA-N 1 1 293.367 2.771 20 5 CFBDMO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000886065026 646850873 /nfs/dbraw/zinc/85/08/73/646850873.db2.gz NQLHBWWSRXMRLL-CQSZACIVSA-N 1 1 293.367 2.771 20 5 CFBDMO COc1cccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886106955 646875198 /nfs/dbraw/zinc/87/51/98/646875198.db2.gz HJKRDJAJPNBBLZ-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886178976 646909248 /nfs/dbraw/zinc/90/92/48/646909248.db2.gz KIDLPAZXKWGVFU-UHFFFAOYSA-N 1 1 281.381 2.707 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203006 646917689 /nfs/dbraw/zinc/91/76/89/646917689.db2.gz JRGGVJWZDAVYOO-OCCSQVGLSA-N 1 1 293.367 2.505 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000886207490 646921297 /nfs/dbraw/zinc/92/12/97/646921297.db2.gz DUBFYYVDCUEIQB-LBPRGKRZSA-N 1 1 261.325 2.612 20 5 CFBDMO C[C@H]1Cc2[nH+]cn(Cc3cccnc3[N+](=O)[O-])c2C[C@@H]1C ZINC000886225998 646929589 /nfs/dbraw/zinc/92/95/89/646929589.db2.gz FVNSYHQQUWZLNY-QWRGUYRKSA-N 1 1 286.335 2.605 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886333827 646974741 /nfs/dbraw/zinc/97/47/41/646974741.db2.gz NUQHTVOPFLHPBF-TXEJJXNPSA-N 1 1 276.336 2.834 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886676448 647105286 /nfs/dbraw/zinc/10/52/86/647105286.db2.gz HMWLIFNMTCEAGY-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO CC(C)([NH3+])CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000925737782 648304687 /nfs/dbraw/zinc/30/46/87/648304687.db2.gz LDYJSGZIUVBFQQ-CQSZACIVSA-N 1 1 277.368 2.689 20 5 CFBDMO CCOc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000925739633 648305745 /nfs/dbraw/zinc/30/57/45/648305745.db2.gz BIWSNRVWNUQXHL-NSHDSACASA-N 1 1 295.383 2.772 20 5 CFBDMO COC/C(C)=C/C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929165655 648993266 /nfs/dbraw/zinc/99/32/66/648993266.db2.gz UQYWHYUPNQOIOX-XYOKQWHBSA-N 1 1 264.325 2.619 20 5 CFBDMO COC/C(C)=C/C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929165655 648993270 /nfs/dbraw/zinc/99/32/70/648993270.db2.gz UQYWHYUPNQOIOX-XYOKQWHBSA-N 1 1 264.325 2.619 20 5 CFBDMO Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000929228512 649008260 /nfs/dbraw/zinc/00/82/60/649008260.db2.gz RSOKCKLNKVAFBJ-AWEZNQCLSA-N 1 1 291.351 2.715 20 5 CFBDMO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987571 649160278 /nfs/dbraw/zinc/16/02/78/649160278.db2.gz KLZVZWKKVXELKI-FRRDWIJNSA-N 1 1 290.367 2.522 20 5 CFBDMO C[C@H](c1ncccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355199 649236712 /nfs/dbraw/zinc/23/67/12/649236712.db2.gz UZHWIRWQOFYRGA-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@H](c1ncccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355199 649236717 /nfs/dbraw/zinc/23/67/17/649236717.db2.gz UZHWIRWQOFYRGA-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC[N+](=O)[O-] ZINC000930482252 649257620 /nfs/dbraw/zinc/25/76/20/649257620.db2.gz ZDIQTBCGNZAQTK-SNVBAGLBSA-N 1 1 290.285 2.845 20 5 CFBDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930665160 649301885 /nfs/dbraw/zinc/30/18/85/649301885.db2.gz ZFQQAXHBJCDTSZ-CYBMUJFWSA-N 1 1 252.289 2.548 20 5 CFBDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930665160 649301886 /nfs/dbraw/zinc/30/18/86/649301886.db2.gz ZFQQAXHBJCDTSZ-CYBMUJFWSA-N 1 1 252.289 2.548 20 5 CFBDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000931529233 649448114 /nfs/dbraw/zinc/44/81/14/649448114.db2.gz SLTBNKQWUBHSDF-AWEZNQCLSA-N 1 1 284.306 2.639 20 5 CFBDMO Cc1ccc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000931719077 649478047 /nfs/dbraw/zinc/47/80/47/649478047.db2.gz ICXNOLFQGVJMCM-LSDHHAIUSA-N 1 1 289.379 2.572 20 5 CFBDMO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000932271268 649572237 /nfs/dbraw/zinc/57/22/37/649572237.db2.gz NQURQNGWGDIRFN-OAHLLOKOSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1nccc1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000932271268 649572239 /nfs/dbraw/zinc/57/22/39/649572239.db2.gz NQURQNGWGDIRFN-OAHLLOKOSA-N 1 1 286.335 2.665 20 5 CFBDMO Cc1c(C[N@H+]2CCO[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932350993 649582548 /nfs/dbraw/zinc/58/25/48/649582548.db2.gz PHMZHYPXPHSGPW-LLVKDONJSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933393002 649690981 /nfs/dbraw/zinc/69/09/81/649690981.db2.gz VTVKADYRPVEZSO-ZUZCIYMTSA-N 1 1 292.310 2.535 20 5 CFBDMO Cc1noc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000933912179 649731275 /nfs/dbraw/zinc/73/12/75/649731275.db2.gz IRYWOUNBFYUAMH-LLVKDONJSA-N 1 1 297.380 2.609 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000934109525 649750057 /nfs/dbraw/zinc/75/00/57/649750057.db2.gz AOLAUQDVVWCXSR-JSGCOSHPSA-N 1 1 294.351 2.603 20 5 CFBDMO Nc1cccc2[nH+]cn(-c3cccc([N+](=O)[O-])c3)c21 ZINC001204457476 770127746 /nfs/dbraw/zinc/12/77/46/770127746.db2.gz YVRXMMMIESNFSV-UHFFFAOYSA-N 1 1 254.249 2.516 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123898 770798054 /nfs/dbraw/zinc/79/80/54/770798054.db2.gz ZRONSHXCOINVAI-WCQYABFASA-N 1 1 284.743 2.857 20 5 CFBDMO C[N+](C)(C)CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224776491 775271840 /nfs/dbraw/zinc/27/18/40/775271840.db2.gz WKNUUUFMJIYPAS-HNNXBMFYSA-N 1 1 297.850 2.637 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000690779877 775344628 /nfs/dbraw/zinc/34/46/28/775344628.db2.gz OZAPWWLTWLOSTP-PWSUYJOCSA-N 1 1 296.754 2.717 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225580129 775509742 /nfs/dbraw/zinc/50/97/42/775509742.db2.gz ZEWSMWOJSIIBPC-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592115 775515376 /nfs/dbraw/zinc/51/53/76/775515376.db2.gz DHXVVBAPCAQQMV-ITGUQSILSA-N 1 1 291.351 2.772 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000694910370 775615055 /nfs/dbraw/zinc/61/50/55/775615055.db2.gz FQGJJDHZIFBUMA-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000694910370 775615061 /nfs/dbraw/zinc/61/50/61/775615061.db2.gz FQGJJDHZIFBUMA-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913849 775633786 /nfs/dbraw/zinc/63/37/86/775633786.db2.gz WWALQLSMBGQTTP-SNVBAGLBSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cccc1[N+](=O)[O-])C2 ZINC001226008089 775665896 /nfs/dbraw/zinc/66/58/96/775665896.db2.gz YACCVLWZVNDIKD-JGPRNRPPSA-N 1 1 280.299 2.738 20 5 CFBDMO CC(=O)c1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226293008 775769876 /nfs/dbraw/zinc/76/98/76/775769876.db2.gz QUJBNFSFZNTCHR-CYBMUJFWSA-N 1 1 292.335 2.659 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226333797 775782099 /nfs/dbraw/zinc/78/20/99/775782099.db2.gz OAHSYFUGDOICCD-LLVKDONJSA-N 1 1 280.324 2.552 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226446087 775825946 /nfs/dbraw/zinc/82/59/46/775825946.db2.gz JPFUUPHUILKDBZ-GFCCVEGCSA-N 1 1 278.352 2.975 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763112 775952652 /nfs/dbraw/zinc/95/26/52/775952652.db2.gz JLMPAEASLDIHJY-AWEZNQCLSA-N 1 1 264.325 2.846 20 5 CFBDMO O=[N+]([O-])c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC001226762963 775953303 /nfs/dbraw/zinc/95/33/03/775953303.db2.gz ZJWHHMBPNHWQEK-JTQLQIEISA-N 1 1 293.710 2.839 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)CC1 ZINC001227234978 776149889 /nfs/dbraw/zinc/14/98/89/776149889.db2.gz WMBLJLJNFCMAGN-LLVKDONJSA-N 1 1 291.307 2.599 20 5 CFBDMO CC(C)(C)[NH+]1CC(Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227239553 776152546 /nfs/dbraw/zinc/15/25/46/776152546.db2.gz YCLJHOVWQDDNBL-UHFFFAOYSA-N 1 1 291.307 2.598 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N)[nH+]c1C ZINC001167786561 776397241 /nfs/dbraw/zinc/39/72/41/776397241.db2.gz REPNMVMIGAIEPZ-UHFFFAOYSA-N 1 1 272.308 2.801 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135765 776405463 /nfs/dbraw/zinc/40/54/63/776405463.db2.gz MVHOEFPMXFFAHP-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228933139 776661689 /nfs/dbraw/zinc/66/16/89/776661689.db2.gz BJTYFHOZJZLEKH-VIFPVBQESA-N 1 1 285.731 2.505 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937499 776663385 /nfs/dbraw/zinc/66/33/85/776663385.db2.gz GFZWCUQDNWBYQL-SNVBAGLBSA-N 1 1 299.758 2.895 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C2 ZINC001229119152 776725715 /nfs/dbraw/zinc/72/57/15/776725715.db2.gz LYHLTVMRSIXGQT-IHQOACFOSA-N 1 1 288.347 2.938 20 5 CFBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C)C1 ZINC001229177988 776744983 /nfs/dbraw/zinc/74/49/83/776744983.db2.gz PPSJVKPYXXSUPB-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001229177988 776744988 /nfs/dbraw/zinc/74/49/88/776744988.db2.gz PPSJVKPYXXSUPB-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1Cl)C2 ZINC001229915384 776916900 /nfs/dbraw/zinc/91/69/00/776916900.db2.gz OLYRVFJDHBVFRY-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667864 777158005 /nfs/dbraw/zinc/15/80/05/777158005.db2.gz VHRPWDZGPPMZCB-SNVBAGLBSA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000721804296 777586146 /nfs/dbraw/zinc/58/61/46/777586146.db2.gz OCIQYKOFIHEANF-NSHDSACASA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498243 777971351 /nfs/dbraw/zinc/97/13/51/777971351.db2.gz KFNHIRMNUINXBM-ZDUSSCGKSA-N 1 1 292.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598396 778006415 /nfs/dbraw/zinc/00/64/15/778006415.db2.gz ZZLQWVMPOJOPPA-VIFPVBQESA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233696807 778045139 /nfs/dbraw/zinc/04/51/39/778045139.db2.gz UKBQWEHXVMTHEG-JTQLQIEISA-N 1 1 286.278 2.736 20 5 CFBDMO CC(C)[NH+]1CC(Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673774 778285118 /nfs/dbraw/zinc/28/51/18/778285118.db2.gz CBDPEXNRIYFMCF-UHFFFAOYSA-N 1 1 287.319 2.614 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)ccc1Cl ZINC000707001343 781220728 /nfs/dbraw/zinc/22/07/28/781220728.db2.gz NQHHYGOUHYZLLU-KOLCDFICSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)ccc1Cl ZINC000707001343 781220732 /nfs/dbraw/zinc/22/07/32/781220732.db2.gz NQHHYGOUHYZLLU-KOLCDFICSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)cc1F ZINC000707169425 781229030 /nfs/dbraw/zinc/22/90/30/781229030.db2.gz WUAJVFSDOHALSB-SECBINFHSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1F ZINC000707169425 781229033 /nfs/dbraw/zinc/22/90/33/781229033.db2.gz WUAJVFSDOHALSB-SECBINFHSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)cc1F ZINC000707169428 781229089 /nfs/dbraw/zinc/22/90/89/781229089.db2.gz WUAJVFSDOHALSB-VIFPVBQESA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1F ZINC000707169428 781229095 /nfs/dbraw/zinc/22/90/95/781229095.db2.gz WUAJVFSDOHALSB-VIFPVBQESA-N 1 1 274.242 2.821 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956300 349528142 /nfs/dbraw/zinc/52/81/42/349528142.db2.gz JCXJKLFYSBCSSS-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956300 349528144 /nfs/dbraw/zinc/52/81/44/349528144.db2.gz JCXJKLFYSBCSSS-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000595309798 349598874 /nfs/dbraw/zinc/59/88/74/349598874.db2.gz AJDGNQQCBVLINJ-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595324435 349602258 /nfs/dbraw/zinc/60/22/58/349602258.db2.gz FOKFOBXVKXQIRH-PSASIEDQSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595289047 349591204 /nfs/dbraw/zinc/59/12/04/349591204.db2.gz CPQLALZKOYJIKU-VIFPVBQESA-N 1 1 265.313 2.654 20 5 CFBDMO Cc1noc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595289047 349591208 /nfs/dbraw/zinc/59/12/08/349591208.db2.gz CPQLALZKOYJIKU-VIFPVBQESA-N 1 1 265.313 2.654 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595290903 349592742 /nfs/dbraw/zinc/59/27/42/349592742.db2.gz GGELSOCQHIDQOE-SNVBAGLBSA-N 1 1 253.302 2.656 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595348299 349608951 /nfs/dbraw/zinc/60/89/51/349608951.db2.gz QTQQYPPQMMQPSR-RISCZKNCSA-N 1 1 295.358 2.648 20 5 CFBDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349294 349609230 /nfs/dbraw/zinc/60/92/30/349609230.db2.gz BASVACIKAXCVBL-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349294 349609233 /nfs/dbraw/zinc/60/92/33/349609233.db2.gz BASVACIKAXCVBL-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595337881 349605500 /nfs/dbraw/zinc/60/55/00/349605500.db2.gz CHQOWFYZLXSNME-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000595404202 349617240 /nfs/dbraw/zinc/61/72/40/349617240.db2.gz OLKHEACXXIPTQC-SECBINFHSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000595404202 349617241 /nfs/dbraw/zinc/61/72/41/349617241.db2.gz OLKHEACXXIPTQC-SECBINFHSA-N 1 1 274.242 2.821 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000595428115 349623223 /nfs/dbraw/zinc/62/32/23/349623223.db2.gz LZRLGAZEIDJTPB-WFASDCNBSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595439216 349626653 /nfs/dbraw/zinc/62/66/53/349626653.db2.gz YDZZMXLKDSRBIZ-SECBINFHSA-N 1 1 267.329 2.759 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595439216 349626656 /nfs/dbraw/zinc/62/66/56/349626656.db2.gz YDZZMXLKDSRBIZ-SECBINFHSA-N 1 1 267.329 2.759 20 5 CFBDMO Cc1noc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000595447296 349628863 /nfs/dbraw/zinc/62/88/63/349628863.db2.gz GVXAQATUPDHPJA-MRVPVSSYSA-N 1 1 295.261 2.958 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458055 349632515 /nfs/dbraw/zinc/63/25/15/349632515.db2.gz HVNHAIVTQGTOTI-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458055 349632518 /nfs/dbraw/zinc/63/25/18/349632518.db2.gz HVNHAIVTQGTOTI-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000595473685 349637658 /nfs/dbraw/zinc/63/76/58/349637658.db2.gz AUNSYUTUTVSSMV-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595522507 349649988 /nfs/dbraw/zinc/64/99/88/349649988.db2.gz KTILUYYZRLVXQF-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595522507 349649992 /nfs/dbraw/zinc/64/99/92/349649992.db2.gz KTILUYYZRLVXQF-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595508423 349645469 /nfs/dbraw/zinc/64/54/69/349645469.db2.gz XMRTVXNQUKGHEX-MRXNPFEDSA-N 1 1 289.379 2.513 20 5 CFBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000595507801 349645507 /nfs/dbraw/zinc/64/55/07/349645507.db2.gz QYIXTZFJOAZEPR-AWEZNQCLSA-N 1 1 295.408 2.574 20 5 CFBDMO CS[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511148 349646558 /nfs/dbraw/zinc/64/65/58/349646558.db2.gz QFVNGSNVZFTJEB-LLVKDONJSA-N 1 1 270.329 2.671 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511148 349646562 /nfs/dbraw/zinc/64/65/62/349646562.db2.gz QFVNGSNVZFTJEB-LLVKDONJSA-N 1 1 270.329 2.671 20 5 CFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCC[NH2+]C ZINC000423205943 529534462 /nfs/dbraw/zinc/53/44/62/529534462.db2.gz WHQYXVBXYIQVDD-LBPRGKRZSA-N 1 1 297.424 2.665 20 5 CFBDMO [NH3+]CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070188411 346907969 /nfs/dbraw/zinc/90/79/69/346907969.db2.gz FZVYBQXGKVAYRB-UHFFFAOYSA-N 1 1 297.786 2.809 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679769 349697851 /nfs/dbraw/zinc/69/78/51/349697851.db2.gz XXLOYSNIRIJVRS-PWSUYJOCSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CCO ZINC000595696328 349705655 /nfs/dbraw/zinc/70/56/55/349705655.db2.gz KCBSIRGHKPAPRF-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCCOC1 ZINC000595750530 349722996 /nfs/dbraw/zinc/72/29/96/349722996.db2.gz CEKJTAWDBKGFJF-LBPRGKRZSA-N 1 1 276.336 2.934 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752097 349723647 /nfs/dbraw/zinc/72/36/47/349723647.db2.gz SDSQWSZASAWDCX-MLGOLLRUSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704779 349710425 /nfs/dbraw/zinc/71/04/25/349710425.db2.gz VJTDFGRZERUMKZ-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704832 349711017 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20 5 CFBDMO COc1ccc(C[N@@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000595895468 349764185 /nfs/dbraw/zinc/76/41/85/349764185.db2.gz NQRQGRSINLLQTQ-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2CC1(C)C2 ZINC000595916381 349769024 /nfs/dbraw/zinc/76/90/24/349769024.db2.gz RJOFYGOLQJWXNM-UHFFFAOYSA-N 1 1 262.309 2.588 20 5 CFBDMO CNC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105313 349795640 /nfs/dbraw/zinc/79/56/40/349795640.db2.gz KCDCBAGIJPPXPH-GUTXKFCHSA-N 1 1 291.395 2.504 20 5 CFBDMO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105313 349795641 /nfs/dbraw/zinc/79/56/41/349795641.db2.gz KCDCBAGIJPPXPH-GUTXKFCHSA-N 1 1 291.395 2.504 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145946 349808019 /nfs/dbraw/zinc/80/80/19/349808019.db2.gz ITXMTAMSPHWVKZ-WCBMZHEXSA-N 1 1 269.370 2.859 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596308290 349859459 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347424152 /nfs/dbraw/zinc/42/41/52/347424152.db2.gz IJJJHMDAQSKDIN-UHFFFAOYSA-N 1 1 290.319 2.590 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC12CCC2 ZINC000081545108 347425001 /nfs/dbraw/zinc/42/50/01/347425001.db2.gz APVNCJSDJCQZCL-UHFFFAOYSA-N 1 1 262.309 2.602 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510506 347802186 /nfs/dbraw/zinc/80/21/86/347802186.db2.gz JRSFSULTTGCVIJ-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510506 347802189 /nfs/dbraw/zinc/80/21/89/347802189.db2.gz JRSFSULTTGCVIJ-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO COCC1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000291060403 348354096 /nfs/dbraw/zinc/35/40/96/348354096.db2.gz JVTXUYCWRWCKFF-UHFFFAOYSA-N 1 1 278.352 2.843 20 5 CFBDMO COCC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000291251042 348354142 /nfs/dbraw/zinc/35/41/42/348354142.db2.gz VZONXRLYYRXRMD-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO 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GWMGYHBFLKYSMK-UHFFFAOYSA-N 1 1 288.332 2.822 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449550311 242020835 /nfs/dbraw/zinc/02/08/35/242020835.db2.gz CONCDCDAVOYTAQ-FMKPAKJESA-N 1 1 290.363 2.578 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449764476 242147186 /nfs/dbraw/zinc/14/71/86/242147186.db2.gz BJPUCCXRJCXNGF-TZMCWYRMSA-N 1 1 292.379 2.921 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000449786181 242166383 /nfs/dbraw/zinc/16/63/83/242166383.db2.gz LWFOJBQYOIXXLL-MRXNPFEDSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449789444 242168582 /nfs/dbraw/zinc/16/85/82/242168582.db2.gz ZSROPLUIIWXXHB-OAHLLOKOSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452124458 243055237 /nfs/dbraw/zinc/05/52/37/243055237.db2.gz JAXMEKYUINVXCW-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO COC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330789079 203237336 /nfs/dbraw/zinc/23/73/36/203237336.db2.gz AWBUEXCLCBBBSU-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276260182 193261738 /nfs/dbraw/zinc/26/17/38/193261738.db2.gz AYTUHGYXAVCASG-CYBMUJFWSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276278154 193269126 /nfs/dbraw/zinc/26/91/26/193269126.db2.gz DWZFQAHWWFZDQI-ZDUSSCGKSA-N 1 1 292.379 2.763 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(C1)CCCOC2 ZINC000459614195 245240388 /nfs/dbraw/zinc/24/03/88/245240388.db2.gz XVCBBKZPTBORPZ-UTCJRWHESA-N 1 1 288.347 2.720 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331702048 204088927 /nfs/dbraw/zinc/08/89/27/204088927.db2.gz ZZVGTIHBBCNLHC-LBPRGKRZSA-N 1 1 280.372 2.586 20 5 CFBDMO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956036 245376142 /nfs/dbraw/zinc/37/61/42/245376142.db2.gz GNQYMFAUVXTJPU-HZMBPMFUSA-N 1 1 293.342 2.937 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020091741 372228715 /nfs/dbraw/zinc/22/87/15/372228715.db2.gz MQVFPZBBHDOSLH-LLVKDONJSA-N 1 1 257.293 2.841 20 5 CFBDMO CCN(CC)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020089800 372229135 /nfs/dbraw/zinc/22/91/35/372229135.db2.gz PRSVLBPISSHHFR-GFCCVEGCSA-N 1 1 265.357 2.587 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000025404045 372298751 /nfs/dbraw/zinc/29/87/51/372298751.db2.gz MQCNBSJRFBVEMH-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccncc1 ZINC000035125205 372544405 /nfs/dbraw/zinc/54/44/05/372544405.db2.gz DFPKEQFZMIUWOG-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000037059791 372642881 /nfs/dbraw/zinc/64/28/81/372642881.db2.gz FMQKLSMVMGWFMN-YHWZYXNKSA-N 1 1 275.352 2.940 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000037647730 372682352 /nfs/dbraw/zinc/68/23/52/372682352.db2.gz MIZRVSXWVCVUAH-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361022269 284372753 /nfs/dbraw/zinc/37/27/53/284372753.db2.gz KHPOHAVSLCEFTA-JWJUJFCLSA-N 1 1 278.352 2.965 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCSC1)C2 ZINC000571392933 383690114 /nfs/dbraw/zinc/69/01/14/383690114.db2.gz JCGNKOMHRZIRBW-LLVKDONJSA-N 1 1 278.377 2.706 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000054128493 373500476 /nfs/dbraw/zinc/50/04/76/373500476.db2.gz JWQBQFWNDZETPA-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)(C)C ZINC000571401028 383691077 /nfs/dbraw/zinc/69/10/77/383691077.db2.gz MKWHLIBJGDMULA-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000451724210 383691999 /nfs/dbraw/zinc/69/19/99/383691999.db2.gz DVPJFWHRTAMUOY-AWEZNQCLSA-N 1 1 277.368 2.511 20 5 CFBDMO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000061189238 373713290 /nfs/dbraw/zinc/71/32/90/373713290.db2.gz XYXPFLHRJWDUHE-UHFFFAOYSA-N 1 1 296.367 2.708 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451729493 383693795 /nfs/dbraw/zinc/69/37/95/383693795.db2.gz KOBWEYXDQYSMKB-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451729493 383693802 /nfs/dbraw/zinc/69/38/02/383693802.db2.gz KOBWEYXDQYSMKB-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO CC[C@H]1CN(CC)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451729493 383693806 /nfs/dbraw/zinc/69/38/06/383693806.db2.gz KOBWEYXDQYSMKB-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000067948944 374018427 /nfs/dbraw/zinc/01/84/27/374018427.db2.gz SPYQHEAZZMKVEF-NSHDSACASA-N 1 1 267.304 2.630 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@H]3C=CCCC3)C2)nc1 ZINC000072665105 374273900 /nfs/dbraw/zinc/27/39/00/374273900.db2.gz PLKZYKBZVZVKSA-STQMWFEESA-N 1 1 288.351 2.585 20 5 CFBDMO COc1ccc(C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000075842586 374508602 /nfs/dbraw/zinc/50/86/02/374508602.db2.gz AZDXFGWKTLMHCU-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCSCC2)cs1 ZINC000089982783 374981979 /nfs/dbraw/zinc/98/19/79/374981979.db2.gz MKUUMFHCQZVFMZ-UHFFFAOYSA-N 1 1 258.368 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSCC2)cs1 ZINC000089982783 374981985 /nfs/dbraw/zinc/98/19/85/374981985.db2.gz MKUUMFHCQZVFMZ-UHFFFAOYSA-N 1 1 258.368 2.595 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090794965 375030037 /nfs/dbraw/zinc/03/00/37/375030037.db2.gz SGXFZHIHIFXEAL-YPMHNXCESA-N 1 1 263.341 2.798 20 5 CFBDMO CCOc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649555 375135836 /nfs/dbraw/zinc/13/58/36/375135836.db2.gz IRSQNKBYHNVSFC-LLVKDONJSA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093232546 375198189 /nfs/dbraw/zinc/19/81/89/375198189.db2.gz IMZMRMJAPNNUHV-QWHCGFSZSA-N 1 1 275.352 2.942 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093838874 375318804 /nfs/dbraw/zinc/31/88/04/375318804.db2.gz DYNSOIHVFNXHBX-CQSZACIVSA-N 1 1 278.352 2.762 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659367 375372449 /nfs/dbraw/zinc/37/24/49/375372449.db2.gz WMPMZQIVKNWVFF-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSCC2)cc1F ZINC000094774465 375377674 /nfs/dbraw/zinc/37/76/74/375377674.db2.gz XPZBQKQJWJZCBY-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSCC2)cc1F ZINC000094774465 375377677 /nfs/dbraw/zinc/37/76/77/375377677.db2.gz XPZBQKQJWJZCBY-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097635709 375575501 /nfs/dbraw/zinc/57/55/01/375575501.db2.gz PQZPKYFDXNRNHM-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000501784514 247106637 /nfs/dbraw/zinc/10/66/37/247106637.db2.gz HFDABCXPKIVMOF-OLZOCXBDSA-N 1 1 278.352 2.952 20 5 CFBDMO C[NH+](C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112851321 375970983 /nfs/dbraw/zinc/97/09/83/375970983.db2.gz WHUIXADNADZWQK-OAHLLOKOSA-N 1 1 299.330 2.836 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451801373 383711074 /nfs/dbraw/zinc/71/10/74/383711074.db2.gz LAJFPZZIYXGURM-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451801373 383711080 /nfs/dbraw/zinc/71/10/80/383711080.db2.gz LAJFPZZIYXGURM-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112988420 375983334 /nfs/dbraw/zinc/98/33/34/375983334.db2.gz OTFSREMLILVPDI-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119283746 376385320 /nfs/dbraw/zinc/38/53/20/376385320.db2.gz PTGXCLBWVJRKCR-ZDUSSCGKSA-N 1 1 280.372 2.549 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000119866363 376492427 /nfs/dbraw/zinc/49/24/27/376492427.db2.gz TYZGXGBEKBVHBE-GFCCVEGCSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123606436 376962348 /nfs/dbraw/zinc/96/23/48/376962348.db2.gz ZNXXPJCGUUGXDV-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000135431446 378131475 /nfs/dbraw/zinc/13/14/75/378131475.db2.gz HDGYGUAZJHGYIA-ZDUSSCGKSA-N 1 1 266.366 2.922 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000135480596 378137385 /nfs/dbraw/zinc/13/73/85/378137385.db2.gz PSCHNWPTEKMTKS-CYBMUJFWSA-N 1 1 296.392 2.801 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000137152418 378219365 /nfs/dbraw/zinc/21/93/65/378219365.db2.gz PYWKKTMUODGMLA-SECBINFHSA-N 1 1 270.329 2.671 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000137152418 378219366 /nfs/dbraw/zinc/21/93/66/378219366.db2.gz PYWKKTMUODGMLA-SECBINFHSA-N 1 1 270.329 2.671 20 5 CFBDMO CC[N@@H+](CCNCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000152142000 378398009 /nfs/dbraw/zinc/39/80/09/378398009.db2.gz ZVEIBSVOLUDZSA-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN(CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000152142000 378398015 /nfs/dbraw/zinc/39/80/15/378398015.db2.gz ZVEIBSVOLUDZSA-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO CSCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000152327604 378408746 /nfs/dbraw/zinc/40/87/46/378408746.db2.gz RJKXMMUKOBIZDO-UHFFFAOYSA-N 1 1 258.318 2.529 20 5 CFBDMO CSCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000152327604 378408753 /nfs/dbraw/zinc/40/87/53/378408753.db2.gz RJKXMMUKOBIZDO-UHFFFAOYSA-N 1 1 258.318 2.529 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000153770139 378510074 /nfs/dbraw/zinc/51/00/74/378510074.db2.gz KVTMRGZBUPGPQC-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331003869 378613226 /nfs/dbraw/zinc/61/32/26/378613226.db2.gz RTJMAOUJLPKSRR-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281861 378663697 /nfs/dbraw/zinc/66/36/97/378663697.db2.gz ITLKHUCSXZOSKX-ZETOZRRWSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299093 378664706 /nfs/dbraw/zinc/66/47/06/378664706.db2.gz VFXHWLHZKMJBBF-IOASZLSFSA-N 1 1 292.379 2.619 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350613 379070146 /nfs/dbraw/zinc/07/01/46/379070146.db2.gz FXZMNOXIMJNIFJ-PWSUYJOCSA-N 1 1 298.770 2.984 20 5 CFBDMO CC1(O)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000168518512 379088755 /nfs/dbraw/zinc/08/87/55/379088755.db2.gz PAVBXIPWIYUWSK-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1O ZINC000171134668 379240200 /nfs/dbraw/zinc/24/02/00/379240200.db2.gz YTONWIJIFKUTKE-UHFFFAOYSA-N 1 1 294.332 2.660 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888141 194197672 /nfs/dbraw/zinc/19/76/72/194197672.db2.gz YKDGFCAOSWSNDR-LRDDRELGSA-N 1 1 291.395 2.902 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000171682419 379370547 /nfs/dbraw/zinc/37/05/47/379370547.db2.gz JZZBDWHEBXNMTN-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451911135 383736973 /nfs/dbraw/zinc/73/69/73/383736973.db2.gz ZJICGOYTVPELIE-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864234 379954028 /nfs/dbraw/zinc/95/40/28/379954028.db2.gz QMGREWUMNFHEDJ-ZDUSSCGKSA-N 1 1 280.372 2.549 20 5 CFBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878508 379955175 /nfs/dbraw/zinc/95/51/75/379955175.db2.gz JRXKHZVGCSLYDF-JSGCOSHPSA-N 1 1 280.372 2.692 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000176204181 380193330 /nfs/dbraw/zinc/19/33/30/380193330.db2.gz ANJHSWXRAMIOEO-UHFFFAOYSA-N 1 1 292.364 2.517 20 5 CFBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176199679 380194328 /nfs/dbraw/zinc/19/43/28/380194328.db2.gz FYEMYVKIRUBFCH-NSHDSACASA-N 1 1 292.314 2.623 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176247497 380200951 /nfs/dbraw/zinc/20/09/51/380200951.db2.gz LHUATRUMTWEIPQ-ZDUSSCGKSA-N 1 1 294.399 2.940 20 5 CFBDMO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC(C)(C)C1 ZINC000452107846 383746754 /nfs/dbraw/zinc/74/67/54/383746754.db2.gz UGEHXABASWPYSZ-UHFFFAOYSA-N 1 1 280.372 2.727 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336810066 380670038 /nfs/dbraw/zinc/67/00/38/380670038.db2.gz HAKCRKYQBVTCCO-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353769930 380840117 /nfs/dbraw/zinc/84/01/17/380840117.db2.gz SRQRTQXOCBYQNK-UKRRQHHQSA-N 1 1 291.395 2.899 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCCO)C2CC2)c(Cl)c1 ZINC000182187630 381014350 /nfs/dbraw/zinc/01/43/50/381014350.db2.gz QYKWWCHMLLAZHO-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCCO)C2CC2)c(Cl)c1 ZINC000182187630 381014353 /nfs/dbraw/zinc/01/43/53/381014353.db2.gz QYKWWCHMLLAZHO-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182124551 380996236 /nfs/dbraw/zinc/99/62/36/380996236.db2.gz ZRGBTKZONRXRSB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182124551 380996243 /nfs/dbraw/zinc/99/62/43/380996243.db2.gz ZRGBTKZONRXRSB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411871167 381040767 /nfs/dbraw/zinc/04/07/67/381040767.db2.gz HFDUMFOAYWQMOK-INIZCTEOSA-N 1 1 290.363 2.638 20 5 CFBDMO CO[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000182252030 381042346 /nfs/dbraw/zinc/04/23/46/381042346.db2.gz HAKLCOVKRQWMTK-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000182252030 381042353 /nfs/dbraw/zinc/04/23/53/381042353.db2.gz HAKLCOVKRQWMTK-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347365059 381100328 /nfs/dbraw/zinc/10/03/28/381100328.db2.gz SMLLKLNJHIEKPF-RPHSKFLZSA-N 1 1 278.352 2.965 20 5 CFBDMO CCC[N@@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347376176 381107897 /nfs/dbraw/zinc/10/78/97/381107897.db2.gz ZRTKMEKYICWHBV-RAXLEYEMSA-N 1 1 278.352 2.702 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(CO)CC1 ZINC000347379163 381111137 /nfs/dbraw/zinc/11/11/37/381111137.db2.gz PCUJZAVJFLWGCS-JYRVWZFOSA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000289637329 381079256 /nfs/dbraw/zinc/07/92/56/381079256.db2.gz XIEJYTJSOMLLFH-ZDUSSCGKSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102446 381160715 /nfs/dbraw/zinc/16/07/15/381160715.db2.gz ZUIKBTPNYYASKX-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102446 381160720 /nfs/dbraw/zinc/16/07/20/381160720.db2.gz ZUIKBTPNYYASKX-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347455984 381163760 /nfs/dbraw/zinc/16/37/60/381163760.db2.gz SVZLKIDXMNSFGA-UHFFFAOYSA-N 1 1 282.315 2.733 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347455984 381163765 /nfs/dbraw/zinc/16/37/65/381163765.db2.gz SVZLKIDXMNSFGA-UHFFFAOYSA-N 1 1 282.315 2.733 20 5 CFBDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289797620 381164099 /nfs/dbraw/zinc/16/40/99/381164099.db2.gz IBKVILWMHSQJTE-NSHDSACASA-N 1 1 293.367 2.704 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000368756401 381124706 /nfs/dbraw/zinc/12/47/06/381124706.db2.gz QOEBBDCGZCFXPT-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO COc1cc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC000347545902 381213919 /nfs/dbraw/zinc/21/39/19/381213919.db2.gz WDFHRRXSQKSZLP-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000359086525 381257603 /nfs/dbraw/zinc/25/76/03/381257603.db2.gz VGDABDNJURSKFP-ZDUSSCGKSA-N 1 1 292.383 2.893 20 5 CFBDMO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000354438308 381265791 /nfs/dbraw/zinc/26/57/91/381265791.db2.gz DVSCLDHTCIDFCZ-GFCCVEGCSA-N 1 1 280.368 2.921 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354354978 381221770 /nfs/dbraw/zinc/22/17/70/381221770.db2.gz SHIBQLXPVDFYIN-CHWSQXEVSA-N 1 1 277.368 2.904 20 5 CFBDMO COc1cncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000289935068 381225164 /nfs/dbraw/zinc/22/51/64/381225164.db2.gz OMJHEKGNEWMBHC-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578654 381233908 /nfs/dbraw/zinc/23/39/08/381233908.db2.gz PLIJUDOINIVFGO-OLZOCXBDSA-N 1 1 294.399 2.938 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000183285995 381250891 /nfs/dbraw/zinc/25/08/91/381250891.db2.gz WEYCZAZDLZMPQP-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)C1 ZINC000183285995 381250895 /nfs/dbraw/zinc/25/08/95/381250895.db2.gz WEYCZAZDLZMPQP-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000369589499 381293287 /nfs/dbraw/zinc/29/32/87/381293287.db2.gz YWAOQGIFIYIOCX-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000296169410 381285646 /nfs/dbraw/zinc/28/56/46/381285646.db2.gz ZKHYHDWDQUZXHG-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](CO)C1 ZINC000370071541 381378785 /nfs/dbraw/zinc/37/87/85/381378785.db2.gz TXHYFHOXIUZQRX-STQMWFEESA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000354700851 381408872 /nfs/dbraw/zinc/40/88/72/381408872.db2.gz XGPGSXXYESBMHW-BTKRWWFXSA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290392244 381409720 /nfs/dbraw/zinc/40/97/20/381409720.db2.gz IXHKQDPXHSHAEM-CZUORRHYSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290392244 381409724 /nfs/dbraw/zinc/40/97/24/381409724.db2.gz IXHKQDPXHSHAEM-CZUORRHYSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290392244 381409728 /nfs/dbraw/zinc/40/97/28/381409728.db2.gz IXHKQDPXHSHAEM-CZUORRHYSA-N 1 1 291.395 2.675 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184253740 381393326 /nfs/dbraw/zinc/39/33/26/381393326.db2.gz RGXIDJOZOBUFDA-VIFPVBQESA-N 1 1 270.304 2.973 20 5 CFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCO1 ZINC000342606898 381429909 /nfs/dbraw/zinc/42/99/09/381429909.db2.gz QMMBGSOVYIRONZ-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342610438 381433344 /nfs/dbraw/zinc/43/33/44/381433344.db2.gz WTHGHSHKUIGCAJ-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000370656669 381485074 /nfs/dbraw/zinc/48/50/74/381485074.db2.gz MTAYAFVLXVFWDG-ODOQXGPZSA-N 1 1 294.326 2.612 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000342681761 381476553 /nfs/dbraw/zinc/47/65/53/381476553.db2.gz QXTAENRAUOSPEV-AWEZNQCLSA-N 1 1 277.368 2.509 20 5 CFBDMO CN(C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000348321354 381506979 /nfs/dbraw/zinc/50/69/79/381506979.db2.gz MRKPJQNAMDVAGX-KRWDZBQOSA-N 1 1 299.374 2.835 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000348356233 381528047 /nfs/dbraw/zinc/52/80/47/381528047.db2.gz XJLSEDOSZXLYAS-AAEUAGOBSA-N 1 1 292.383 2.607 20 5 CFBDMO COc1cccc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290713118 381528719 /nfs/dbraw/zinc/52/87/19/381528719.db2.gz ONQVAGVSDGRHOI-LLVKDONJSA-N 1 1 281.356 2.744 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542115 381620164 /nfs/dbraw/zinc/62/01/64/381620164.db2.gz ATMCFGHRSHUKHH-GXIIQHASSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1c(C[NH2+]Cc2c(Cl)cnn2C)cccc1[N+](=O)[O-] ZINC000359818447 381625509 /nfs/dbraw/zinc/62/55/09/381625509.db2.gz NIEOHHIOCSBRBD-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000414943098 381633353 /nfs/dbraw/zinc/63/33/53/381633353.db2.gz CNIOCAWPNDMDAX-QGZVFWFLSA-N 1 1 297.358 2.571 20 5 CFBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343442692 381711876 /nfs/dbraw/zinc/71/18/76/381711876.db2.gz MILMKJBLWLOLLP-LDYMZIIASA-N 1 1 284.747 2.538 20 5 CFBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343442689 381712750 /nfs/dbraw/zinc/71/27/50/381712750.db2.gz MILMKJBLWLOLLP-GZMMTYOYSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000355232464 381692764 /nfs/dbraw/zinc/69/27/64/381692764.db2.gz CUEFURHLYWYSAU-LSDHHAIUSA-N 1 1 290.363 2.843 20 5 CFBDMO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291172681 381694775 /nfs/dbraw/zinc/69/47/75/381694775.db2.gz DTFIOCZYHPYZBC-CQSZACIVSA-N 1 1 264.325 2.594 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000372093294 381750090 /nfs/dbraw/zinc/75/00/90/381750090.db2.gz CXJXUJXUOMXYNP-NSHDSACASA-N 1 1 284.381 2.905 20 5 CFBDMO CCc1ccccc1[C@H](N)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415065258 381751068 /nfs/dbraw/zinc/75/10/68/381751068.db2.gz MNJYYFWZIWKOFW-QGZVFWFLSA-N 1 1 299.374 2.947 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000291346312 381755171 /nfs/dbraw/zinc/75/51/71/381755171.db2.gz XGWWYEFMMBPUNQ-AWEZNQCLSA-N 1 1 280.368 2.996 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770049 381828988 /nfs/dbraw/zinc/82/89/88/381828988.db2.gz WRMSFCLGYNCICV-YPMHNXCESA-N 1 1 295.358 2.819 20 5 CFBDMO COC1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000361509226 381837674 /nfs/dbraw/zinc/83/76/74/381837674.db2.gz AZUBXUWPERMCSY-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936207 381815457 /nfs/dbraw/zinc/81/54/57/381815457.db2.gz WIZWCFDERPNIIP-MNOVXSKESA-N 1 1 280.372 2.727 20 5 CFBDMO COc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000292822304 381850326 /nfs/dbraw/zinc/85/03/26/381850326.db2.gz XCLCYJMFZDAOFL-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292907175 381897654 /nfs/dbraw/zinc/89/76/54/381897654.db2.gz HABGSRMGRPQIPL-INIZCTEOSA-N 1 1 289.379 2.513 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293050785 381969282 /nfs/dbraw/zinc/96/92/82/381969282.db2.gz HUGJJYWSISEUAR-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000186531039 381936966 /nfs/dbraw/zinc/93/69/66/381936966.db2.gz YPUIBPSPDOOGGM-BXUZGUMPSA-N 1 1 290.319 2.962 20 5 CFBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000293063971 381974901 /nfs/dbraw/zinc/97/49/01/381974901.db2.gz IPYQJDKVFQYPFI-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000293063971 381974908 /nfs/dbraw/zinc/97/49/08/381974908.db2.gz IPYQJDKVFQYPFI-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849154 381980851 /nfs/dbraw/zinc/98/08/51/381980851.db2.gz HEJUCHXYBJBJLL-VHSXEESVSA-N 1 1 297.330 2.637 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351976847 382101632 /nfs/dbraw/zinc/10/16/32/382101632.db2.gz CUCNVHYLRKTEHO-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172766 382177813 /nfs/dbraw/zinc/17/78/13/382177813.db2.gz PNZCSBNCCCVCIU-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172766 382177816 /nfs/dbraw/zinc/17/78/16/382177816.db2.gz PNZCSBNCCCVCIU-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301292718 382140711 /nfs/dbraw/zinc/14/07/11/382140711.db2.gz VQWYIQWABVNLNY-SNVBAGLBSA-N 1 1 298.774 2.930 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352228109 382236298 /nfs/dbraw/zinc/23/62/98/382236298.db2.gz VNGBHIHPSILJPO-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO CSC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000187843401 382280689 /nfs/dbraw/zinc/28/06/89/382280689.db2.gz TWLHGQZYJAWJNB-CQSZACIVSA-N 1 1 298.408 2.529 20 5 CFBDMO Cc1cccc(NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302504940 382258846 /nfs/dbraw/zinc/25/88/46/382258846.db2.gz QFMSHUKZPIDXNX-UHFFFAOYSA-N 1 1 275.352 2.967 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000364328647 382307598 /nfs/dbraw/zinc/30/75/98/382307598.db2.gz OJGOLGIXCMXMAY-ZIAGYGMSSA-N 1 1 290.367 2.785 20 5 CFBDMO CC/C=C/CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364344389 382311302 /nfs/dbraw/zinc/31/13/02/382311302.db2.gz YIAOLIDLCZGJET-OOPCZODUSA-N 1 1 278.356 2.785 20 5 CFBDMO C[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289485497 197371154 /nfs/dbraw/zinc/37/11/54/197371154.db2.gz YKDDCAHEQFMUCJ-UHFFFAOYSA-N 1 1 293.150 2.716 20 5 CFBDMO C[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289485497 197371156 /nfs/dbraw/zinc/37/11/56/197371156.db2.gz YKDDCAHEQFMUCJ-UHFFFAOYSA-N 1 1 293.150 2.716 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000420287645 382342144 /nfs/dbraw/zinc/34/21/44/382342144.db2.gz IHGYCMQFGNKNGO-LBPRGKRZSA-N 1 1 279.384 2.881 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364274699 382295664 /nfs/dbraw/zinc/29/56/64/382295664.db2.gz UUQAUNAERBGHLF-AWEZNQCLSA-N 1 1 278.352 2.843 20 5 CFBDMO CC[C@H](F)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570311 382399951 /nfs/dbraw/zinc/39/99/51/382399951.db2.gz FUUFORCQUJKTAE-LBPRGKRZSA-N 1 1 254.305 2.817 20 5 CFBDMO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000358006371 382405964 /nfs/dbraw/zinc/40/59/64/382405964.db2.gz SLAMVXXXIQUMFY-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294101495 382415019 /nfs/dbraw/zinc/41/50/19/382415019.db2.gz MTNOLDGICNYUBK-ZWNOBZJWSA-N 1 1 272.308 2.587 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785645 382496831 /nfs/dbraw/zinc/49/68/31/382496831.db2.gz AEBUGERSXYYPMP-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000381629014 382523344 /nfs/dbraw/zinc/52/33/44/382523344.db2.gz UXRUDJSQTWMOGP-AWEZNQCLSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212133 382507801 /nfs/dbraw/zinc/50/78/01/382507801.db2.gz RRRDOASHQJVTBP-CABCVRRESA-N 1 1 296.342 2.859 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212136 382508121 /nfs/dbraw/zinc/50/81/21/382508121.db2.gz RRRDOASHQJVTBP-HUUCEWRRSA-N 1 1 296.342 2.859 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294966841 382556710 /nfs/dbraw/zinc/55/67/10/382556710.db2.gz FJQUMGKDELEGOS-GFCCVEGCSA-N 1 1 266.366 2.841 20 5 CFBDMO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294860215 382534293 /nfs/dbraw/zinc/53/42/93/382534293.db2.gz DCYWHRJUJFGRIP-NSHDSACASA-N 1 1 293.342 2.654 20 5 CFBDMO COc1cc(C[N@@H+]2CCC23CCC3)c([N+](=O)[O-])cc1OC ZINC000353651213 382595282 /nfs/dbraw/zinc/59/52/82/382595282.db2.gz ZJEBALGOJCDFGT-UHFFFAOYSA-N 1 1 292.335 2.740 20 5 CFBDMO COc1cc(C[N@H+]2CCC23CCC3)c([N+](=O)[O-])cc1OC ZINC000353651213 382595284 /nfs/dbraw/zinc/59/52/84/382595284.db2.gz ZJEBALGOJCDFGT-UHFFFAOYSA-N 1 1 292.335 2.740 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000189350674 382596762 /nfs/dbraw/zinc/59/67/62/382596762.db2.gz VUMGHFMAASKFAK-IAQYHMDHSA-N 1 1 278.352 2.760 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189638861 382631486 /nfs/dbraw/zinc/63/14/86/382631486.db2.gz KTVUYHJZIWBAPV-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826293 382578186 /nfs/dbraw/zinc/57/81/86/382578186.db2.gz SLXFPCHHWICFCF-DGCLKSJQSA-N 1 1 298.770 2.841 20 5 CFBDMO CN(C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593174 382710510 /nfs/dbraw/zinc/71/05/10/382710510.db2.gz YOOPFBICHRQZJH-OAHLLOKOSA-N 1 1 277.368 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000193118971 382716087 /nfs/dbraw/zinc/71/60/87/382716087.db2.gz OWIJDCCTUKUDEK-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1c(CNc2[nH+]c3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000336866905 382736717 /nfs/dbraw/zinc/73/67/17/382736717.db2.gz YILUFNKKAMLIAA-UHFFFAOYSA-N 1 1 296.330 2.824 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194065045 382734122 /nfs/dbraw/zinc/73/41/22/382734122.db2.gz AXIFISVXBJPMTF-SNVBAGLBSA-N 1 1 279.296 2.735 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194059492 382734206 /nfs/dbraw/zinc/73/42/06/382734206.db2.gz UZPZOTGIAGLLTP-VHSXEESVSA-N 1 1 279.296 2.733 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000217363700 382785917 /nfs/dbraw/zinc/78/59/17/382785917.db2.gz ZIWATRNRFCKESX-HIFRSBDPSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217363123 382785959 /nfs/dbraw/zinc/78/59/59/382785959.db2.gz XHQPNVFOJJIBBH-KGLIPLIRSA-N 1 1 279.315 2.773 20 5 CFBDMO Cc1cnc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000576122972 382811426 /nfs/dbraw/zinc/81/14/26/382811426.db2.gz VNKKPYZDUILNLR-BETUJISGSA-N 1 1 293.367 2.655 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577200528 382851381 /nfs/dbraw/zinc/85/13/81/382851381.db2.gz ZOYUIDULLHAWMD-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO CCC[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441284817 382905316 /nfs/dbraw/zinc/90/53/16/382905316.db2.gz XOXKCWYTEJERIQ-UHFFFAOYSA-N 1 1 282.340 2.714 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441374900 382911327 /nfs/dbraw/zinc/91/13/27/382911327.db2.gz ICYREKWYPVAFBG-GHMZBOCLSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441374900 382911330 /nfs/dbraw/zinc/91/13/30/382911330.db2.gz ICYREKWYPVAFBG-GHMZBOCLSA-N 1 1 282.315 2.733 20 5 CFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245402591 382999401 /nfs/dbraw/zinc/99/94/01/382999401.db2.gz IPTQXDULVHCZJU-DGCLKSJQSA-N 1 1 292.335 2.541 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@@H](C)[NH3+] ZINC000423446068 383099035 /nfs/dbraw/zinc/09/90/35/383099035.db2.gz NQLLKSJJIQHDSP-GRYCIOLGSA-N 1 1 297.424 2.791 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](C)N ZINC000423446068 383099036 /nfs/dbraw/zinc/09/90/36/383099036.db2.gz NQLLKSJJIQHDSP-GRYCIOLGSA-N 1 1 297.424 2.791 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214795 /nfs/dbraw/zinc/21/47/95/383214795.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 1 1 289.379 2.511 20 5 CFBDMO Cc1nn(C[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000339113824 383153694 /nfs/dbraw/zinc/15/36/94/383153694.db2.gz IFLWRXJQQKUJFN-ZDUSSCGKSA-N 1 1 280.372 2.671 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492976 383329768 /nfs/dbraw/zinc/32/97/68/383329768.db2.gz CZAIWTSIOMVFMQ-ONGXEEELSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492976 383329770 /nfs/dbraw/zinc/32/97/70/383329770.db2.gz CZAIWTSIOMVFMQ-ONGXEEELSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449504902 383340918 /nfs/dbraw/zinc/34/09/18/383340918.db2.gz WPXRYGVMNUQAML-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449504902 383340923 /nfs/dbraw/zinc/34/09/23/383340923.db2.gz WPXRYGVMNUQAML-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449505173 383341214 /nfs/dbraw/zinc/34/12/14/383341214.db2.gz WPXRYGVMNUQAML-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000449505173 383341217 /nfs/dbraw/zinc/34/12/17/383341217.db2.gz WPXRYGVMNUQAML-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cocn3)C2)cc1 ZINC000449506928 383343530 /nfs/dbraw/zinc/34/35/30/383343530.db2.gz ZODTXARNUFOEMT-CYBMUJFWSA-N 1 1 287.319 2.962 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cocn3)C2)cc1 ZINC000449506928 383343534 /nfs/dbraw/zinc/34/35/34/383343534.db2.gz ZODTXARNUFOEMT-CYBMUJFWSA-N 1 1 287.319 2.962 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000252442948 383408504 /nfs/dbraw/zinc/40/85/04/383408504.db2.gz FFMVUJCESNRCKQ-BXUZGUMPSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000252442948 383408505 /nfs/dbraw/zinc/40/85/05/383408505.db2.gz FFMVUJCESNRCKQ-BXUZGUMPSA-N 1 1 264.325 2.594 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524619784 383377151 /nfs/dbraw/zinc/37/71/51/383377151.db2.gz JGFXUHGKLXHWBE-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[C@H]1O)CC2 ZINC000569007233 383461381 /nfs/dbraw/zinc/46/13/81/383461381.db2.gz FMHAPKNEZJDEPE-CZUORRHYSA-N 1 1 290.363 2.504 20 5 CFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089990 383466864 /nfs/dbraw/zinc/46/68/64/383466864.db2.gz RTZAVWHNVVQNSY-XQQFMLRXSA-N 1 1 292.383 2.768 20 5 CFBDMO CSCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255889072 383487478 /nfs/dbraw/zinc/48/74/78/383487478.db2.gz NPXOOAKFHPORBE-ALCCZGGFSA-N 1 1 266.366 2.903 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1CC ZINC000429281325 383508955 /nfs/dbraw/zinc/50/89/55/383508955.db2.gz UVUDESHCOQNJSU-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1CC ZINC000429281325 383508956 /nfs/dbraw/zinc/50/89/56/383508956.db2.gz UVUDESHCOQNJSU-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc(C[N@H+]2CCSC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488253020 383509577 /nfs/dbraw/zinc/50/95/77/383509577.db2.gz OWQJWLRWQCREHC-NSHDSACASA-N 1 1 296.392 2.788 20 5 CFBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000569826095 383541472 /nfs/dbraw/zinc/54/14/72/383541472.db2.gz WVIQOAHIGAEDIN-NHYWBVRUSA-N 1 1 289.379 2.654 20 5 CFBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000569826095 383541478 /nfs/dbraw/zinc/54/14/78/383541478.db2.gz WVIQOAHIGAEDIN-NHYWBVRUSA-N 1 1 289.379 2.654 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000341125309 383574340 /nfs/dbraw/zinc/57/43/40/383574340.db2.gz QCGFLRMTANTOSK-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000341125310 383574375 /nfs/dbraw/zinc/57/43/75/383574375.db2.gz QCGFLRMTANTOSK-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000450948177 383563687 /nfs/dbraw/zinc/56/36/87/383563687.db2.gz DXLRCJONKBQIFW-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489897999 383642005 /nfs/dbraw/zinc/64/20/05/383642005.db2.gz RDOAXOKIAOIZAD-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451547935 383642772 /nfs/dbraw/zinc/64/27/72/383642772.db2.gz RGFKYOFQLRMYGA-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451547935 383642777 /nfs/dbraw/zinc/64/27/77/383642777.db2.gz RGFKYOFQLRMYGA-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO C[C@@H](O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553139 383644602 /nfs/dbraw/zinc/64/46/02/383644602.db2.gz XLUNHERPWMSQPK-HIFRSBDPSA-N 1 1 292.379 2.935 20 5 CFBDMO C[C@H](O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553142 383645480 /nfs/dbraw/zinc/64/54/80/383645480.db2.gz XLUNHERPWMSQPK-ZFWWWQNUSA-N 1 1 292.379 2.935 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[NH+](C)C ZINC000571066313 383663071 /nfs/dbraw/zinc/66/30/71/383663071.db2.gz PXXSVTREJZGZMQ-RYUDHWBXSA-N 1 1 265.357 2.504 20 5 CFBDMO CC[NH+](CC)CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473212 383820867 /nfs/dbraw/zinc/82/08/67/383820867.db2.gz FQNMAQWNZVLJIK-UHFFFAOYSA-N 1 1 284.381 2.875 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]12 ZINC000531342501 383853644 /nfs/dbraw/zinc/85/36/44/383853644.db2.gz IAEIXYUACFETIQ-UPJWGTAASA-N 1 1 292.383 2.729 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000531829821 383930087 /nfs/dbraw/zinc/93/00/87/383930087.db2.gz GYQAZZDLRUCYCV-UHFFFAOYSA-N 1 1 293.323 2.593 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000573718129 383978796 /nfs/dbraw/zinc/97/87/96/383978796.db2.gz KIAAAUNFRFIMQG-ZOWXZIJZSA-N 1 1 276.336 2.767 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000532579824 384047700 /nfs/dbraw/zinc/04/77/00/384047700.db2.gz VMUPQHPSTUUZIE-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000266009465 384052617 /nfs/dbraw/zinc/05/26/17/384052617.db2.gz LJJUOUHXSSXMNW-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO COc1cc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413351422 533029583 /nfs/dbraw/zinc/02/95/83/533029583.db2.gz ZNNVWUGZBGQZSL-UHFFFAOYSA-N 1 1 293.367 2.890 20 5 CFBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266925525 384263614 /nfs/dbraw/zinc/26/36/14/384263614.db2.gz ZGWADJDDIJHIPS-SDDRHHMPSA-N 1 1 293.367 2.549 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCOC1 ZINC000267066790 384291497 /nfs/dbraw/zinc/29/14/97/384291497.db2.gz UUCXVHXQHDCXKY-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000267098213 384298433 /nfs/dbraw/zinc/29/84/33/384298433.db2.gz SQQFFXAGFDACEO-LBPRGKRZSA-N 1 1 292.364 2.690 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000277759749 384396795 /nfs/dbraw/zinc/39/67/95/384396795.db2.gz MDKAETVZCJRRQS-ZDUSSCGKSA-N 1 1 284.381 2.783 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595984 384421845 /nfs/dbraw/zinc/42/18/45/384421845.db2.gz ITGPJADYHKFQEC-ZWNOBZJWSA-N 1 1 281.331 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](C2CC2)CC1 ZINC000279509190 285117477 /nfs/dbraw/zinc/11/74/77/285117477.db2.gz RGZBWHCXFBDYIY-UHFFFAOYSA-N 1 1 281.743 2.533 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000269100405 384725696 /nfs/dbraw/zinc/72/56/96/384725696.db2.gz RLYBNSHQFIWXFE-KBPBESRZSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@H]3CCOC3)C2)cc1 ZINC000331534847 285138742 /nfs/dbraw/zinc/13/87/42/285138742.db2.gz XPVRBIMKIIDJMW-HIFRSBDPSA-N 1 1 276.336 2.563 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633909 384814026 /nfs/dbraw/zinc/81/40/26/384814026.db2.gz GNPMHJUVHXDUTN-FZMZJTMJSA-N 1 1 290.319 2.914 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000280307182 384968716 /nfs/dbraw/zinc/96/87/16/384968716.db2.gz PIBFEIFOCWJPMZ-OAHLLOKOSA-N 1 1 278.352 2.986 20 5 CFBDMO Cc1c(C[N@H+](CC2CCC2)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000280297507 384964201 /nfs/dbraw/zinc/96/42/01/384964201.db2.gz FNRQHXCDZSVIRF-LBPRGKRZSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[N@@H+](CCOC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270678929 385187125 /nfs/dbraw/zinc/18/71/25/385187125.db2.gz CDTMFVZFCICVDA-LLVKDONJSA-N 1 1 252.314 2.624 20 5 CFBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270807007 385233227 /nfs/dbraw/zinc/23/32/27/385233227.db2.gz VSMIZTDHTVCQEW-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1ccncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282412553 385305033 /nfs/dbraw/zinc/30/50/33/385305033.db2.gz IPDURZBXWWQRFL-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282455654 385316271 /nfs/dbraw/zinc/31/62/71/385316271.db2.gz JERBENMVVCDDPC-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282455654 385316277 /nfs/dbraw/zinc/31/62/77/385316277.db2.gz JERBENMVVCDDPC-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000135226021 285160288 /nfs/dbraw/zinc/16/02/88/285160288.db2.gz RUSLPHXTGGZOCF-CQSZACIVSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000135226021 285160289 /nfs/dbraw/zinc/16/02/89/285160289.db2.gz RUSLPHXTGGZOCF-CQSZACIVSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000271078321 385330730 /nfs/dbraw/zinc/33/07/30/385330730.db2.gz PWFGZFOYEUUKAK-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000271078321 385330735 /nfs/dbraw/zinc/33/07/35/385330735.db2.gz PWFGZFOYEUUKAK-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cscn1 ZINC000282498729 385326581 /nfs/dbraw/zinc/32/65/81/385326581.db2.gz QREMTAVQRUOBGS-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cscn1 ZINC000282498729 385326585 /nfs/dbraw/zinc/32/65/85/385326585.db2.gz QREMTAVQRUOBGS-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283004078 385422619 /nfs/dbraw/zinc/42/26/19/385422619.db2.gz FUSNANKLOQWIQQ-UHFFFAOYSA-N 1 1 284.331 2.982 20 5 CFBDMO Cc1n[nH]c(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283077390 385432908 /nfs/dbraw/zinc/43/29/08/385432908.db2.gz QXARKGFEYODXDX-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000288880970 197185059 /nfs/dbraw/zinc/18/50/59/197185059.db2.gz MAOQHQVKHCQJBU-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284134243 385538854 /nfs/dbraw/zinc/53/88/54/385538854.db2.gz OLVLYSUFMQMMOD-UHFFFAOYSA-N 1 1 279.296 2.876 20 5 CFBDMO Cc1csc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000284164827 385542326 /nfs/dbraw/zinc/54/23/26/385542326.db2.gz QABRZXVKSTZVQQ-SECBINFHSA-N 1 1 292.364 2.793 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272479313 385548325 /nfs/dbraw/zinc/54/83/25/385548325.db2.gz GMZHQPZVWUNGJR-ZFWWWQNUSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272557557 385564084 /nfs/dbraw/zinc/56/40/84/385564084.db2.gz DQWIRDQUKVRJNR-GOEBONIOSA-N 1 1 292.379 2.886 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350672 385772998 /nfs/dbraw/zinc/77/29/98/385772998.db2.gz XAOUTPBKOXVZFH-SECBINFHSA-N 1 1 268.288 2.584 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350672 385773003 /nfs/dbraw/zinc/77/30/03/385773003.db2.gz XAOUTPBKOXVZFH-SECBINFHSA-N 1 1 268.288 2.584 20 5 CFBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275165235 385949355 /nfs/dbraw/zinc/94/93/55/385949355.db2.gz JSCJSFRXGZFMJG-QMMMGPOBSA-N 1 1 280.715 2.822 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276690663 386016007 /nfs/dbraw/zinc/01/60/07/386016007.db2.gz WFCRDWVAAZFMAG-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830273 386055295 /nfs/dbraw/zinc/05/52/95/386055295.db2.gz AUUGDDBMORPUHG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830273 386055300 /nfs/dbraw/zinc/05/53/00/386055300.db2.gz AUUGDDBMORPUHG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCCSCC2)ccc1[N+](=O)[O-] ZINC000276895920 386071903 /nfs/dbraw/zinc/07/19/03/386071903.db2.gz KXUJHXYQEDGEJX-UHFFFAOYSA-N 1 1 296.392 2.932 20 5 CFBDMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341733199 130004878 /nfs/dbraw/zinc/00/48/78/130004878.db2.gz SAVBQEVHMHILIC-GFCCVEGCSA-N 1 1 288.351 2.796 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000342008564 130195761 /nfs/dbraw/zinc/19/57/61/130195761.db2.gz BMEZJDJDAPLMIA-AWEZNQCLSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cn[nH]c1 ZINC000229882180 130887804 /nfs/dbraw/zinc/88/78/04/130887804.db2.gz XDBJWSQVSWKLDM-QMMMGPOBSA-N 1 1 280.715 2.822 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000252152130 131133264 /nfs/dbraw/zinc/13/32/64/131133264.db2.gz MQKYDYQMJVQHQY-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252196245 131133493 /nfs/dbraw/zinc/13/34/93/131133493.db2.gz SJSCSOWDXFPUPO-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCO ZINC000263717286 131315040 /nfs/dbraw/zinc/31/50/40/131315040.db2.gz FBMURLZCWNHYPA-GFCCVEGCSA-N 1 1 266.341 2.750 20 5 CFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000263996807 131375705 /nfs/dbraw/zinc/37/57/05/131375705.db2.gz CZHUKIKLZYPFTP-MRXNPFEDSA-N 1 1 286.331 2.760 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000180423930 393482260 /nfs/dbraw/zinc/48/22/60/393482260.db2.gz LIANAGVWTFSLFQ-CYBMUJFWSA-N 1 1 293.367 2.637 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373488391 393466967 /nfs/dbraw/zinc/46/69/67/393466967.db2.gz ZJZWFPAACWLRIP-HUUCEWRRSA-N 1 1 276.336 2.657 20 5 CFBDMO CCCC[N@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000182153630 393507675 /nfs/dbraw/zinc/50/76/75/393507675.db2.gz YYIHBHKNKRQEGG-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000182153630 393507678 /nfs/dbraw/zinc/50/76/78/393507678.db2.gz YYIHBHKNKRQEGG-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000375583534 393508759 /nfs/dbraw/zinc/50/87/59/393508759.db2.gz NZXQVTOHRRLURL-JTQLQIEISA-N 1 1 296.396 2.504 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182382463 393510093 /nfs/dbraw/zinc/51/00/93/393510093.db2.gz FECAQEUJZSWKIM-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000191158211 393589649 /nfs/dbraw/zinc/58/96/49/393589649.db2.gz IFCWFPKCFQIUBG-UHFFFAOYSA-N 1 1 292.379 2.921 20 5 CFBDMO Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000218860119 393758490 /nfs/dbraw/zinc/75/84/90/393758490.db2.gz AHQKVFVJXOFFIB-NWDGAFQWSA-N 1 1 263.341 2.798 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+](CCC2(O)CCC2)C2CC2)c1 ZINC000411319106 393698617 /nfs/dbraw/zinc/69/86/17/393698617.db2.gz DQWMHKSKQBMGMW-UHFFFAOYSA-N 1 1 290.363 2.864 20 5 CFBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195038742 393728450 /nfs/dbraw/zinc/72/84/50/393728450.db2.gz DWMUCWDQGBMRGB-UHFFFAOYSA-N 1 1 289.339 2.654 20 5 CFBDMO CC(C)(N)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808840 393805989 /nfs/dbraw/zinc/80/59/89/393805989.db2.gz UKBYYCGQQTWFRQ-GXTWGEPZSA-N 1 1 291.395 2.633 20 5 CFBDMO C[C@H](N[C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737052 393869813 /nfs/dbraw/zinc/86/98/13/393869813.db2.gz NUKSQDKDKHSXDQ-SCRDCRAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737052 393869821 /nfs/dbraw/zinc/86/98/21/393869821.db2.gz NUKSQDKDKHSXDQ-SCRDCRAPSA-N 1 1 277.368 2.728 20 5 CFBDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246249245 393856693 /nfs/dbraw/zinc/85/66/93/393856693.db2.gz PEKAUNKIEWYRFU-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000430207110 393968064 /nfs/dbraw/zinc/96/80/64/393968064.db2.gz YTVWGWCJCOXRKG-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213687 393969113 /nfs/dbraw/zinc/96/91/13/393969113.db2.gz UWNZOEVYKKAPLR-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO CC(C)c1[nH+]ccn1CCOc1ccccc1[N+](=O)[O-] ZINC000123633424 393984293 /nfs/dbraw/zinc/98/42/93/393984293.db2.gz NIUBRINGNMKWEQ-UHFFFAOYSA-N 1 1 275.308 2.994 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(C)(C)CC1 ZINC000127689424 394054127 /nfs/dbraw/zinc/05/41/27/394054127.db2.gz FKHCSZWLKGMWRF-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278766786 394062727 /nfs/dbraw/zinc/06/27/27/394062727.db2.gz NZXKFYWTLDIICO-PHIMTYICSA-N 1 1 295.770 2.554 20 5 CFBDMO C[C@H]1CCSCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000279180265 394065910 /nfs/dbraw/zinc/06/59/10/394065910.db2.gz CUKGAUXGLJFIEX-LBPRGKRZSA-N 1 1 280.393 2.965 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1(O)CCC1 ZINC000353505267 394031765 /nfs/dbraw/zinc/03/17/65/394031765.db2.gz CLKNQEVSGHWEOS-GFCCVEGCSA-N 1 1 278.352 2.811 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130530365 394113169 /nfs/dbraw/zinc/11/31/69/394113169.db2.gz AJRZUPQXQSFFJT-GFCCVEGCSA-N 1 1 266.366 2.841 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000439481334 394118701 /nfs/dbraw/zinc/11/87/01/394118701.db2.gz HTMNLZVQLBMJQK-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000439481334 394118704 /nfs/dbraw/zinc/11/87/04/394118704.db2.gz HTMNLZVQLBMJQK-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO CSCCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000439477670 394118858 /nfs/dbraw/zinc/11/88/58/394118858.db2.gz VJIVFZKLTZHBLP-UHFFFAOYSA-N 1 1 284.381 2.659 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420957732 394140663 /nfs/dbraw/zinc/14/06/63/394140663.db2.gz OSWWHNXIEVHSRM-GASCZTMLSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420957732 394140666 /nfs/dbraw/zinc/14/06/66/394140666.db2.gz OSWWHNXIEVHSRM-GASCZTMLSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(C)n1 ZINC000421383162 394213267 /nfs/dbraw/zinc/21/32/67/394213267.db2.gz NQZDRHDRNAQXKX-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO CC[N@H+](CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112850 394217380 /nfs/dbraw/zinc/21/73/80/394217380.db2.gz TXIIBFHOEHOINU-AWEZNQCLSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112850 394217384 /nfs/dbraw/zinc/21/73/84/394217384.db2.gz TXIIBFHOEHOINU-AWEZNQCLSA-N 1 1 293.411 2.846 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000156253973 394331358 /nfs/dbraw/zinc/33/13/58/394331358.db2.gz XSWDOCAGHAMWLL-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000156716907 394338005 /nfs/dbraw/zinc/33/80/05/394338005.db2.gz PEJSHZAPYJCRSC-LBPRGKRZSA-N 1 1 280.372 2.692 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000510139470 394368241 /nfs/dbraw/zinc/36/82/41/394368241.db2.gz JXAJBTWOFXLTLV-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000512887753 394368606 /nfs/dbraw/zinc/36/86/06/394368606.db2.gz BBADPIXMXYCHQC-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000530442293 394517793 /nfs/dbraw/zinc/51/77/93/394517793.db2.gz OFURCDCXFVGUNK-YPMHNXCESA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000530442293 394517798 /nfs/dbraw/zinc/51/77/98/394517798.db2.gz OFURCDCXFVGUNK-YPMHNXCESA-N 1 1 276.336 2.520 20 5 CFBDMO Cc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000538374252 394601942 /nfs/dbraw/zinc/60/19/42/394601942.db2.gz QSSLGFOVSJOOGO-GQCTYLIASA-N 1 1 273.292 2.694 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096288 394910207 /nfs/dbraw/zinc/91/02/07/394910207.db2.gz QKDPLFXUTPILCO-PHIMTYICSA-N 1 1 291.351 2.715 20 5 CFBDMO COc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000548097652 394910281 /nfs/dbraw/zinc/91/02/81/394910281.db2.gz OSEYAUJSFHHFGB-NXEZZACHSA-N 1 1 250.298 2.586 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000555237752 394969064 /nfs/dbraw/zinc/96/90/64/394969064.db2.gz MTGUUTPBBHXQMM-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558863478 395077912 /nfs/dbraw/zinc/07/79/12/395077912.db2.gz UXFQMQYGVSYVRD-ZJUUUORDSA-N 1 1 286.278 2.969 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558863478 395077914 /nfs/dbraw/zinc/07/79/14/395077914.db2.gz UXFQMQYGVSYVRD-ZJUUUORDSA-N 1 1 286.278 2.969 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000575600593 395091394 /nfs/dbraw/zinc/09/13/94/395091394.db2.gz XLVMVKBRWCYCTM-AWEZNQCLSA-N 1 1 291.395 2.723 20 5 CFBDMO C[C@]12COC[C@H]1CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601195125 397587407 /nfs/dbraw/zinc/58/74/07/397587407.db2.gz DWLXUNYVJUUMED-BZNIZROVSA-N 1 1 299.330 2.616 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)OC)C(C)C ZINC000430229036 286249498 /nfs/dbraw/zinc/24/94/98/286249498.db2.gz UKARKYAZPWGHOJ-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000269100409 292285877 /nfs/dbraw/zinc/28/58/77/292285877.db2.gz RLYBNSHQFIWXFE-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000343104452 154115641 /nfs/dbraw/zinc/11/56/41/154115641.db2.gz RZVPTQAUSVFPTP-UHFFFAOYSA-N 1 1 294.351 2.616 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000348166159 154346324 /nfs/dbraw/zinc/34/63/24/154346324.db2.gz FUMRVZFHERPPDG-QWHCGFSZSA-N 1 1 292.383 2.607 20 5 CFBDMO Cc1cn2cc(Nc3cc(C)c([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000348179999 154350889 /nfs/dbraw/zinc/35/08/89/154350889.db2.gz NSFTVOGTBPKXLV-UHFFFAOYSA-N 1 1 283.291 2.998 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000363113561 156149008 /nfs/dbraw/zinc/14/90/08/156149008.db2.gz GSKOASNQKTXIHX-CYBMUJFWSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000363113561 156149009 /nfs/dbraw/zinc/14/90/09/156149009.db2.gz GSKOASNQKTXIHX-CYBMUJFWSA-N 1 1 286.335 2.665 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000366912937 156254694 /nfs/dbraw/zinc/25/46/94/156254694.db2.gz ZFSSNNNAAHEWGH-IINYFYTJSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000366912937 156254695 /nfs/dbraw/zinc/25/46/95/156254695.db2.gz ZFSSNNNAAHEWGH-IINYFYTJSA-N 1 1 296.754 2.859 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCOCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000373816496 157035245 /nfs/dbraw/zinc/03/52/45/157035245.db2.gz UIEQMMGXEORQLA-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCOCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000373816496 157035249 /nfs/dbraw/zinc/03/52/49/157035249.db2.gz UIEQMMGXEORQLA-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)cc1F ZINC000374515260 157125355 /nfs/dbraw/zinc/12/53/55/157125355.db2.gz SIOGFSXJJOQCBM-HUUCEWRRSA-N 1 1 294.326 2.877 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346199430 162348066 /nfs/dbraw/zinc/34/80/66/162348066.db2.gz VRFKTNVCAKDOSS-STQMWFEESA-N 1 1 291.395 2.818 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000346209974 162352443 /nfs/dbraw/zinc/35/24/43/162352443.db2.gz ONKOEVYCVLIFKG-GHMZBOCLSA-N 1 1 283.397 2.571 20 5 CFBDMO CC(C)c1[nH+]ccn1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352932020 163272175 /nfs/dbraw/zinc/27/21/75/163272175.db2.gz RMQAKKCTBKWFFV-UHFFFAOYSA-N 1 1 285.307 2.839 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000353408728 163359881 /nfs/dbraw/zinc/35/98/81/163359881.db2.gz VAPGOPZNGMXGHH-IJEWVQPXSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000353408728 163359883 /nfs/dbraw/zinc/35/98/83/163359883.db2.gz VAPGOPZNGMXGHH-IJEWVQPXSA-N 1 1 289.379 2.557 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCC1 ZINC000353483505 163375383 /nfs/dbraw/zinc/37/53/83/163375383.db2.gz HSHIKTLBCXWVJY-LLVKDONJSA-N 1 1 264.325 2.503 20 5 CFBDMO CC(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)C ZINC000353560485 163395345 /nfs/dbraw/zinc/39/53/45/163395345.db2.gz OELOWCCDJLAXIQ-UHFFFAOYSA-N 1 1 282.388 2.832 20 5 CFBDMO CC(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000020200975 171064516 /nfs/dbraw/zinc/06/45/16/171064516.db2.gz LVQZKSLCHWHEMP-MRXNPFEDSA-N 1 1 291.395 2.805 20 5 CFBDMO CC(C)C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000020201775 171066288 /nfs/dbraw/zinc/06/62/88/171066288.db2.gz QWSFCHKJDMKCKS-HNNXBMFYSA-N 1 1 279.384 2.661 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284651886 196104519 /nfs/dbraw/zinc/10/45/19/196104519.db2.gz GCBRGNVCPANYSD-LSDHHAIUSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000021504367 171307191 /nfs/dbraw/zinc/30/71/91/171307191.db2.gz FRPOMFVKZCJKST-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO CC(C)c1[nH+]ccn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037340452 173141971 /nfs/dbraw/zinc/14/19/71/173141971.db2.gz BIIZXIOIODECLG-UHFFFAOYSA-N 1 1 273.292 2.798 20 5 CFBDMO CCC[C@@H](NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087862 174100308 /nfs/dbraw/zinc/10/03/08/174100308.db2.gz ASXPUHCOQUZHOP-SWLSCSKDSA-N 1 1 279.384 2.976 20 5 CFBDMO CCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675862 174373456 /nfs/dbraw/zinc/37/34/56/174373456.db2.gz ZODFBKCIHJBUMF-UHFFFAOYSA-N 1 1 291.395 2.601 20 5 CFBDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534268 175197117 /nfs/dbraw/zinc/19/71/17/175197117.db2.gz XDECNNIGFMSAIK-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534268 175197122 /nfs/dbraw/zinc/19/71/22/175197122.db2.gz XDECNNIGFMSAIK-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534306 175197362 /nfs/dbraw/zinc/19/73/62/175197362.db2.gz UKAZFNOYKOWBAQ-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000044534306 175197365 /nfs/dbraw/zinc/19/73/65/175197365.db2.gz UKAZFNOYKOWBAQ-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534125 175197806 /nfs/dbraw/zinc/19/78/06/175197806.db2.gz YQKQOUWAJLXWJN-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534125 175197807 /nfs/dbraw/zinc/19/78/07/175197807.db2.gz YQKQOUWAJLXWJN-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534125 175197809 /nfs/dbraw/zinc/19/78/09/175197809.db2.gz YQKQOUWAJLXWJN-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000044537763 175200220 /nfs/dbraw/zinc/20/02/20/175200220.db2.gz NBDLVLBYTIUKLT-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044725868 175237886 /nfs/dbraw/zinc/23/78/86/175237886.db2.gz RZQXDIHYDUEBAF-NSHDSACASA-N 1 1 261.325 2.552 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044725867 175238235 /nfs/dbraw/zinc/23/82/35/175238235.db2.gz RZQXDIHYDUEBAF-LLVKDONJSA-N 1 1 261.325 2.552 20 5 CFBDMO CC[C@@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000071273083 176105049 /nfs/dbraw/zinc/10/50/49/176105049.db2.gz BYZMDPMAKAPEHG-CYBMUJFWSA-N 1 1 274.324 2.569 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214429 260346465 /nfs/dbraw/zinc/34/64/65/260346465.db2.gz HVFZXKDYXIXPQN-UHFFFAOYSA-N 1 1 275.308 2.968 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCCC[C@H]1O)C2 ZINC000518192452 260352700 /nfs/dbraw/zinc/35/27/00/260352700.db2.gz KAUCHTFIKSSFDE-CZUORRHYSA-N 1 1 290.363 2.504 20 5 CFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361237223 261179525 /nfs/dbraw/zinc/17/95/25/261179525.db2.gz NNTIIYRMSLRQBL-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC=C(C)C1 ZINC000280691308 263063789 /nfs/dbraw/zinc/06/37/89/263063789.db2.gz BEKOYTWKCDOVNA-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC=C(C)C1 ZINC000280691308 263063790 /nfs/dbraw/zinc/06/37/90/263063790.db2.gz BEKOYTWKCDOVNA-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190044365 264345781 /nfs/dbraw/zinc/34/57/81/264345781.db2.gz PWASIDQBVQXSQS-WBMJQRKESA-N 1 1 292.379 2.921 20 5 CFBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000322915841 270297864 /nfs/dbraw/zinc/29/78/64/270297864.db2.gz KQTAHWCJLZGJEL-YHWZYXNKSA-N 1 1 291.351 2.641 20 5 CFBDMO C[C@@H](O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000354734598 274265010 /nfs/dbraw/zinc/26/50/10/274265010.db2.gz OZCHPBRSYLMVAP-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332344262 274377394 /nfs/dbraw/zinc/37/73/94/274377394.db2.gz XTTJKWJQYOMSKJ-RLCCDNCMSA-N 1 1 289.379 2.560 20 5 CFBDMO Cc1cc(N[C@@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000122212944 274718884 /nfs/dbraw/zinc/71/88/84/274718884.db2.gz UEFPOEIGXMSIMO-NSHDSACASA-N 1 1 288.351 2.813 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423216083 275038184 /nfs/dbraw/zinc/03/81/84/275038184.db2.gz RKMLPDPEDSTABE-BLLLJJGKSA-N 1 1 289.379 2.561 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000133862738 275039967 /nfs/dbraw/zinc/03/99/67/275039967.db2.gz QQOORFKRZXBHMT-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000133862738 275039969 /nfs/dbraw/zinc/03/99/69/275039969.db2.gz QQOORFKRZXBHMT-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000273406031 276002258 /nfs/dbraw/zinc/00/22/58/276002258.db2.gz HFXIZUJHVFLHQH-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401092 276188172 /nfs/dbraw/zinc/18/81/72/276188172.db2.gz XSQNJFBNIXWVQX-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346184183 276242315 /nfs/dbraw/zinc/24/23/15/276242315.db2.gz KYYJBHSSPVYLSN-CHWSQXEVSA-N 1 1 277.368 2.509 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642829 276339904 /nfs/dbraw/zinc/33/99/04/276339904.db2.gz BYBKHCDCWRUGBY-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000268816370 277070102 /nfs/dbraw/zinc/07/01/02/277070102.db2.gz IMGMHDVMQMFGLL-IUODEOHRSA-N 1 1 275.352 2.515 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133611294 277084722 /nfs/dbraw/zinc/08/47/22/277084722.db2.gz JCEOAYDMKZSYKS-STQMWFEESA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423218619 278268485 /nfs/dbraw/zinc/26/84/85/278268485.db2.gz SCVZWSGULLVIBF-OBJOEFQTSA-N 1 1 277.368 2.634 20 5 CFBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361559760 279233863 /nfs/dbraw/zinc/23/38/63/279233863.db2.gz WNIGKIHIUGNFJJ-JTQLQIEISA-N 1 1 270.304 2.591 20 5 CFBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361559760 279233864 /nfs/dbraw/zinc/23/38/64/279233864.db2.gz WNIGKIHIUGNFJJ-JTQLQIEISA-N 1 1 270.304 2.591 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900623 280127703 /nfs/dbraw/zinc/12/77/03/280127703.db2.gz CRJXPRSSYJEPQU-CHWSQXEVSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378264401 280661923 /nfs/dbraw/zinc/66/19/23/280661923.db2.gz CJDLMRADRSGCON-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO Cc1c(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249046810 281045814 /nfs/dbraw/zinc/04/58/14/281045814.db2.gz NRYXVYJKWNUNBO-GNXNZQSNSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000249626028 281064662 /nfs/dbraw/zinc/06/46/62/281064662.db2.gz UANOCNMNCUFWIZ-NXEZZACHSA-N 1 1 284.385 2.584 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337311337 281165257 /nfs/dbraw/zinc/16/52/57/281165257.db2.gz CLKWBVGLIOFLSN-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000397980704 281203583 /nfs/dbraw/zinc/20/35/83/281203583.db2.gz MIRYWGZXLDAGNC-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000512887756 281261421 /nfs/dbraw/zinc/26/14/21/281261421.db2.gz BBADPIXMXYCHQC-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCN(C)C ZINC000516348344 281302915 /nfs/dbraw/zinc/30/29/15/281302915.db2.gz SXKPOVLDFGKSGR-SDNWHVSQSA-N 1 1 291.395 2.882 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCN(C)C ZINC000516348344 281302916 /nfs/dbraw/zinc/30/29/16/281302916.db2.gz SXKPOVLDFGKSGR-SDNWHVSQSA-N 1 1 291.395 2.882 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000560452298 282027319 /nfs/dbraw/zinc/02/73/19/282027319.db2.gz TXWKWKBVDYHMHJ-SECBINFHSA-N 1 1 292.364 2.914 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000561880855 282062322 /nfs/dbraw/zinc/06/23/22/282062322.db2.gz WGKRCQKCTXUCSZ-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC=C(C)CC1 ZINC000563898754 290182442 /nfs/dbraw/zinc/18/24/42/290182442.db2.gz QIDVZIHWIZLPKB-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000564929678 290250279 /nfs/dbraw/zinc/25/02/79/290250279.db2.gz PRBHIBAPGDUJBR-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000408172231 301202613 /nfs/dbraw/zinc/20/26/13/301202613.db2.gz UEWBEUYDNAOXNJ-QWHCGFSZSA-N 1 1 292.383 2.526 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000581877767 325155533 /nfs/dbraw/zinc/15/55/33/325155533.db2.gz FVYDAWACCALRDV-AWEZNQCLSA-N 1 1 290.363 2.783 20 5 CFBDMO CCCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176205979 520174964 /nfs/dbraw/zinc/17/49/64/520174964.db2.gz WNGOGINKOBIVDV-UHFFFAOYSA-N 1 1 268.361 2.692 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000361236972 521330881 /nfs/dbraw/zinc/33/08/81/521330881.db2.gz HPIQWQZEUGSULP-AWEZNQCLSA-N 1 1 264.325 2.514 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000158063445 533791840 /nfs/dbraw/zinc/79/18/40/533791840.db2.gz LCOABUFCCUESQL-JTQLQIEISA-N 1 1 294.351 2.842 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278983 533796235 /nfs/dbraw/zinc/79/62/35/533796235.db2.gz JWBLTJUEOCFDOY-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278983 533796239 /nfs/dbraw/zinc/79/62/39/533796239.db2.gz JWBLTJUEOCFDOY-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278991 533833001 /nfs/dbraw/zinc/83/30/01/533833001.db2.gz JWBLTJUEOCFDOY-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278991 533833008 /nfs/dbraw/zinc/83/30/08/533833008.db2.gz JWBLTJUEOCFDOY-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1c(C[N@@H+]2CCSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172587824 533847700 /nfs/dbraw/zinc/84/77/00/533847700.db2.gz KUAVPIWKDIGPNA-JTQLQIEISA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1c([C@@H](C)[NH2+][C@@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000423259000 533948347 /nfs/dbraw/zinc/94/83/47/533948347.db2.gz CVVVRWARNFLJRY-CHWSQXEVSA-N 1 1 279.384 2.927 20 5 CFBDMO C[C@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414871576 534047965 /nfs/dbraw/zinc/04/79/65/534047965.db2.gz DHBYTEYBGNVLMA-LLVKDONJSA-N 1 1 289.335 2.539 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832827 534081088 /nfs/dbraw/zinc/08/10/88/534081088.db2.gz DYOVMLVGKUTRTN-HNNXBMFYSA-N 1 1 291.395 2.900 20 5 CFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCC1 ZINC000423187279 534254396 /nfs/dbraw/zinc/25/43/96/534254396.db2.gz XTKTUUBRIDPRFS-ZDUSSCGKSA-N 1 1 291.395 2.777 20 5 CFBDMO CCC[N@@H+](CC)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000080242105 521608483 /nfs/dbraw/zinc/60/84/83/521608483.db2.gz VTQLKNBMSIOCNM-UHFFFAOYSA-N 1 1 279.384 2.725 20 5 CFBDMO CCCN(CC)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000080242105 521608485 /nfs/dbraw/zinc/60/84/85/521608485.db2.gz VTQLKNBMSIOCNM-UHFFFAOYSA-N 1 1 279.384 2.725 20 5 CFBDMO CC[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443489 521717036 /nfs/dbraw/zinc/71/70/36/521717036.db2.gz YIYOFUWJNGEFBP-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000062057719 522472900 /nfs/dbraw/zinc/47/29/00/522472900.db2.gz HZOPVLXNWJPKGW-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000192864365 522687126 /nfs/dbraw/zinc/68/71/26/522687126.db2.gz VGGKIZKFMBOXKJ-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO COC(=O)C(C)(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000338547529 522749766 /nfs/dbraw/zinc/74/97/66/522749766.db2.gz SMYIBRLUXCNWMT-UHFFFAOYSA-N 1 1 294.351 2.616 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360881594 523028874 /nfs/dbraw/zinc/02/88/74/523028874.db2.gz BKFTURQYYNSBGC-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000073616612 523750316 /nfs/dbraw/zinc/75/03/16/523750316.db2.gz JNMGMEYTSQKHTG-UHFFFAOYSA-N 1 1 266.341 2.699 20 5 CFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083153 523831875 /nfs/dbraw/zinc/83/18/75/523831875.db2.gz JPDBVAIODSKWIH-CHWSQXEVSA-N 1 1 293.342 2.797 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000363448936 524029241 /nfs/dbraw/zinc/02/92/41/524029241.db2.gz HZPKTTBFNJNCRP-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171911658 524098084 /nfs/dbraw/zinc/09/80/84/524098084.db2.gz CADAJNXRKPOXOJ-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311010031 524236469 /nfs/dbraw/zinc/23/64/69/524236469.db2.gz ZQSIDWJQYVOORK-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO Cc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000227535110 524695719 /nfs/dbraw/zinc/69/57/19/524695719.db2.gz ARJKSNAJKJEUCD-CHWSQXEVSA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1csc([N+](=O)[O-])c1 ZINC000360961046 524767656 /nfs/dbraw/zinc/76/76/56/524767656.db2.gz NNCLBPRHCVPRHY-MRVPVSSYSA-N 1 1 267.310 2.527 20 5 CFBDMO COc1ccncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340402379 524858461 /nfs/dbraw/zinc/85/84/61/524858461.db2.gz FABKDZOCOCBKCO-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000361155516 524919042 /nfs/dbraw/zinc/91/90/42/524919042.db2.gz UJNUEFITCQXQMN-APMKWMSLSA-N 1 1 289.379 2.632 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1F ZINC000360945704 524945247 /nfs/dbraw/zinc/94/52/47/524945247.db2.gz HEUDZSIEUVDSGR-VIFPVBQESA-N 1 1 279.271 2.605 20 5 CFBDMO C[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391043 525408933 /nfs/dbraw/zinc/40/89/33/525408933.db2.gz ZZAJCRQRVYVUEO-UKRRQHHQSA-N 1 1 292.379 2.884 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000361001089 525457520 /nfs/dbraw/zinc/45/75/20/525457520.db2.gz YMJAJVPTTRGBHO-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306696 525473367 /nfs/dbraw/zinc/47/33/67/525473367.db2.gz FNDHIPITEZMHDU-ABAIWWIYSA-N 1 1 277.368 2.586 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000230376031 525881682 /nfs/dbraw/zinc/88/16/82/525881682.db2.gz XBNICIOOLYSARC-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000230376031 525881693 /nfs/dbraw/zinc/88/16/93/525881693.db2.gz XBNICIOOLYSARC-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000084726462 526062497 /nfs/dbraw/zinc/06/24/97/526062497.db2.gz SGGVFWSOWKSSAD-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000363692568 527356624 /nfs/dbraw/zinc/35/66/24/527356624.db2.gz NUNJPKPSMKCEOC-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000363692568 527356627 /nfs/dbraw/zinc/35/66/27/527356627.db2.gz NUNJPKPSMKCEOC-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193855703 527401190 /nfs/dbraw/zinc/40/11/90/527401190.db2.gz CETUTTJVUMTHRO-LBPRGKRZSA-N 1 1 286.335 2.698 20 5 CFBDMO CC[NH+](CC)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192595457 528138774 /nfs/dbraw/zinc/13/87/74/528138774.db2.gz QMKSPXDAECRTBG-INIZCTEOSA-N 1 1 291.395 2.904 20 5 CFBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176224452 528916254 /nfs/dbraw/zinc/91/62/54/528916254.db2.gz FPLXCPYULBIFMC-UHFFFAOYSA-N 1 1 280.372 2.834 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449778669 536755148 /nfs/dbraw/zinc/75/51/48/536755148.db2.gz SIZUDJTZJHUEHV-CYBMUJFWSA-N 1 1 278.352 2.843 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860570 574270236 /nfs/dbraw/zinc/27/02/36/574270236.db2.gz QTKSPDOYVIWOHH-MNOVXSKESA-N 1 1 274.324 2.632 20 5 CFBDMO CCC1(C)CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000725776771 574306530 /nfs/dbraw/zinc/30/65/30/574306530.db2.gz AUMPKYWNKKWUBQ-UHFFFAOYSA-N 1 1 280.372 2.878 20 5 CFBDMO CC[N@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207137 574319094 /nfs/dbraw/zinc/31/90/94/574319094.db2.gz QZRJCOPCAIBAOS-HIFRSBDPSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207137 574319100 /nfs/dbraw/zinc/31/91/00/574319100.db2.gz QZRJCOPCAIBAOS-HIFRSBDPSA-N 1 1 291.395 2.723 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056162 574322878 /nfs/dbraw/zinc/32/28/78/574322878.db2.gz YBEKQHVELCOXRO-OCCSQVGLSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000742390569 574327198 /nfs/dbraw/zinc/32/71/98/574327198.db2.gz SXIFCZKUBIDCRP-UHFFFAOYSA-N 1 1 272.308 2.822 20 5 CFBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000804795770 617884412 /nfs/dbraw/zinc/88/44/12/617884412.db2.gz YBWKCZIBDPDMSC-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000804795770 617884419 /nfs/dbraw/zinc/88/44/19/617884419.db2.gz YBWKCZIBDPDMSC-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CCC(C)(C)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892004642 617910232 /nfs/dbraw/zinc/91/02/32/617910232.db2.gz KDRHZDIWDZNJAT-UHFFFAOYSA-N 1 1 282.340 2.929 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820592 617824361 /nfs/dbraw/zinc/82/43/61/617824361.db2.gz WYPWJCUEKXGLSY-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820592 617824367 /nfs/dbraw/zinc/82/43/67/617824367.db2.gz WYPWJCUEKXGLSY-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892066273 617934290 /nfs/dbraw/zinc/93/42/90/617934290.db2.gz TUYKISXJSJGUBM-GHMZBOCLSA-N 1 1 294.351 2.787 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000892101940 617949416 /nfs/dbraw/zinc/94/94/16/617949416.db2.gz OYEFVHXQSJBENV-UWVGGRQHSA-N 1 1 280.324 2.539 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892209630 618000211 /nfs/dbraw/zinc/00/02/11/618000211.db2.gz CJNLFJQEGYJTPE-NXEZZACHSA-N 1 1 280.324 2.539 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000807968020 618003796 /nfs/dbraw/zinc/00/37/96/618003796.db2.gz GOYGSKJFMNZMEY-LBPRGKRZSA-N 1 1 291.351 2.551 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091734 618489061 /nfs/dbraw/zinc/48/90/61/618489061.db2.gz AGWHBKDIJQDKNH-HUUCEWRRSA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832337334 625288961 /nfs/dbraw/zinc/28/89/61/625288961.db2.gz SVEUGDNCZZDMHB-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2Cc3c[nH+]cn3C2)c(C(F)F)c1 ZINC000894997639 619524644 /nfs/dbraw/zinc/52/46/44/619524644.db2.gz WTCMNNHNXUYTPO-MRVPVSSYSA-N 1 1 294.261 2.766 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895736317 619597447 /nfs/dbraw/zinc/59/74/47/619597447.db2.gz KUKUCAIMEBWSTN-PWSUYJOCSA-N 1 1 286.335 2.648 20 5 CFBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895737491 619597881 /nfs/dbraw/zinc/59/78/81/619597881.db2.gz WMXOHBXPFFNSRB-CMPLNLGQSA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780356 619609032 /nfs/dbraw/zinc/60/90/32/619609032.db2.gz IFUXHAGDLURLNK-VDKLAZJHSA-N 1 1 290.388 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2([NH+](C)C)CC2)n1 ZINC000896087883 619668027 /nfs/dbraw/zinc/66/80/27/619668027.db2.gz OPMNVAJZGBWYJT-UHFFFAOYSA-N 1 1 288.307 2.504 20 5 CFBDMO Cc1ccc(NCCNc2ccsc2[N+](=O)[O-])[nH+]c1 ZINC000896452945 619737436 /nfs/dbraw/zinc/73/74/36/619737436.db2.gz JQJDPNBBJLKHGN-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861701 620152283 /nfs/dbraw/zinc/15/22/83/620152283.db2.gz XYUYGKCMWSJSHN-MNOVXSKESA-N 1 1 274.324 2.632 20 5 CFBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464884 620177223 /nfs/dbraw/zinc/17/72/23/620177223.db2.gz PXOKVIBPWQEIGA-HZSPNIEDSA-N 1 1 291.395 2.771 20 5 CFBDMO CC[N@@H+](CC(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000193395884 620380220 /nfs/dbraw/zinc/38/02/20/620380220.db2.gz ZHMYNJKUKIXATO-UHFFFAOYSA-N 1 1 276.340 2.880 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000899865357 620607772 /nfs/dbraw/zinc/60/77/72/620607772.db2.gz RQOISLRQRZAOKY-SNVBAGLBSA-N 1 1 272.757 2.743 20 5 CFBDMO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1ccccc1[N+](=O)[O-] ZINC000902430071 621076396 /nfs/dbraw/zinc/07/63/96/621076396.db2.gz OAXLHTRSNKDHGR-YUELXQCFSA-N 1 1 291.395 2.948 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903288728 621319758 /nfs/dbraw/zinc/31/97/58/621319758.db2.gz NXZGUIUNGVLBSU-GWCFXTLKSA-N 1 1 272.308 2.587 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832779062 625512392 /nfs/dbraw/zinc/51/23/92/625512392.db2.gz TVFMYMKAXILDIG-CQSZACIVSA-N 1 1 295.358 2.648 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000905231589 621721856 /nfs/dbraw/zinc/72/18/56/621721856.db2.gz RGJAERCIOZUVNU-SECBINFHSA-N 1 1 291.134 2.683 20 5 CFBDMO CCCC[N@H+](C)c1ccc(NCC[N+](=O)[O-])cc1 ZINC000905318735 621740015 /nfs/dbraw/zinc/74/00/15/621740015.db2.gz JEGDOECUDRCNBT-UHFFFAOYSA-N 1 1 251.330 2.612 20 5 CFBDMO CCCC[N@@H+](C)c1ccc(NCC[N+](=O)[O-])cc1 ZINC000905318735 621740017 /nfs/dbraw/zinc/74/00/17/621740017.db2.gz JEGDOECUDRCNBT-UHFFFAOYSA-N 1 1 251.330 2.612 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000151239440 622872281 /nfs/dbraw/zinc/87/22/81/622872281.db2.gz ADXKXSVMWNRPOD-TXEJJXNPSA-N 1 1 286.335 2.634 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000164246792 622942946 /nfs/dbraw/zinc/94/29/46/622942946.db2.gz QCMLGABFJZSRHY-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061981212 623244298 /nfs/dbraw/zinc/24/42/98/623244298.db2.gz YIUXVYQVRFMLBO-JTQLQIEISA-N 1 1 281.743 2.897 20 5 CFBDMO C[N@@H+](CCCCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000173471424 623350731 /nfs/dbraw/zinc/35/07/31/623350731.db2.gz JSGULLLJZWNOBU-UHFFFAOYSA-N 1 1 280.368 2.969 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000929820306 623822252 /nfs/dbraw/zinc/82/22/52/623822252.db2.gz HNPTUXXVLWARMI-HOTGVXAUSA-N 1 1 292.379 2.631 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698727 624068935 /nfs/dbraw/zinc/06/89/35/624068935.db2.gz BNCCJTOSGRBCDT-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000829017040 624355687 /nfs/dbraw/zinc/35/56/87/624355687.db2.gz REYNLOYNYAZRLL-RCBQFDQVSA-N 1 1 290.363 2.893 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000834835374 625894228 /nfs/dbraw/zinc/89/42/28/625894228.db2.gz IBGXIVMHROIHKE-FZMZJTMJSA-N 1 1 286.335 2.895 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839141732 626528556 /nfs/dbraw/zinc/52/85/56/626528556.db2.gz XRPNQLZRTBWNSN-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000839169176 626529292 /nfs/dbraw/zinc/52/92/92/626529292.db2.gz GKRYDDLJNWLMMV-UHFFFAOYSA-N 1 1 281.699 2.834 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(F)n1 ZINC000757855753 626565536 /nfs/dbraw/zinc/56/55/36/626565536.db2.gz DHQKTFWMFVFNEZ-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293137 626821893 /nfs/dbraw/zinc/82/18/93/626821893.db2.gz RMBUOQKQFSBICA-QWRGUYRKSA-N 1 1 288.351 2.941 20 5 CFBDMO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511708 626841818 /nfs/dbraw/zinc/84/18/18/626841818.db2.gz OESZSLGPFWSVOP-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000851799638 634536975 /nfs/dbraw/zinc/53/69/75/634536975.db2.gz STSWUEVMRDSNAS-MRVPVSSYSA-N 1 1 253.302 2.512 20 5 CFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000767458352 627253227 /nfs/dbraw/zinc/25/32/27/627253227.db2.gz BFQIEBAKGORUNL-JTQLQIEISA-N 1 1 292.364 2.774 20 5 CFBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000767613417 627264494 /nfs/dbraw/zinc/26/44/94/627264494.db2.gz SNVXEEBSPLQLGM-UHFFFAOYSA-N 1 1 288.347 2.928 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774535083 627935921 /nfs/dbraw/zinc/93/59/21/627935921.db2.gz YLFOEQRQLXDBFZ-CQSZACIVSA-N 1 1 289.379 2.763 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)n1 ZINC000852018522 634628731 /nfs/dbraw/zinc/62/87/31/634628731.db2.gz NXXPUYCOPQIBBA-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580600 628160465 /nfs/dbraw/zinc/16/04/65/628160465.db2.gz WVXBYBAHNOWVII-SWLSCSKDSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000776578664 628160822 /nfs/dbraw/zinc/16/08/22/628160822.db2.gz HMBDZHKFHSCDFL-HNNXBMFYSA-N 1 1 290.363 2.749 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585962 628161295 /nfs/dbraw/zinc/16/12/95/628161295.db2.gz FOBIKTCNIBNOSL-HUUCEWRRSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584350 628161308 /nfs/dbraw/zinc/16/13/08/628161308.db2.gz MTBZRZAWYPHFMB-IUODEOHRSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000776582518 628161534 /nfs/dbraw/zinc/16/15/34/628161534.db2.gz VAPFYVIVXAZYCE-CVEARBPZSA-N 1 1 290.363 2.893 20 5 CFBDMO CSCC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592321 628162915 /nfs/dbraw/zinc/16/29/15/628162915.db2.gz KXOYGHNWZRIJBY-RISCZKNCSA-N 1 1 298.408 2.702 20 5 CFBDMO Cc1nn(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000779858533 628414851 /nfs/dbraw/zinc/41/48/51/628414851.db2.gz IFRCHABGKUKFHT-VTXSZYRJSA-N 1 1 290.367 2.568 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034286 628767124 /nfs/dbraw/zinc/76/71/24/628767124.db2.gz VHVMJQAYVKDLAL-GFCCVEGCSA-N 1 1 280.372 2.734 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000785727702 628907735 /nfs/dbraw/zinc/90/77/35/628907735.db2.gz GDKGNERDUCPCLC-NXEZZACHSA-N 1 1 298.364 2.572 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290431 634712043 /nfs/dbraw/zinc/71/20/43/634712043.db2.gz IAEUIDBDNUFBBM-BXUZGUMPSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000793807559 629596765 /nfs/dbraw/zinc/59/67/65/629596765.db2.gz BBFKUTZNTCNNKB-NSHDSACASA-N 1 1 274.324 2.695 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000793807559 629596771 /nfs/dbraw/zinc/59/67/71/629596771.db2.gz BBFKUTZNTCNNKB-NSHDSACASA-N 1 1 274.324 2.695 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCCCC1 ZINC000796110637 629877628 /nfs/dbraw/zinc/87/76/28/629877628.db2.gz AUCCISNMSCWCKW-UHFFFAOYSA-N 1 1 292.379 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798963486 630265844 /nfs/dbraw/zinc/26/58/44/630265844.db2.gz FQWNOFQYSJIAGJ-CQSZACIVSA-N 1 1 283.331 2.979 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804423508 630680649 /nfs/dbraw/zinc/68/06/49/630680649.db2.gz RAXNVABZYVNULR-SNVBAGLBSA-N 1 1 296.327 2.645 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000804520022 630689304 /nfs/dbraw/zinc/68/93/04/630689304.db2.gz BAVJKLUYMYWVCT-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](C)C(C)C ZINC000807958033 630926161 /nfs/dbraw/zinc/92/61/61/630926161.db2.gz HTEKJZNEPPNTRA-UHFFFAOYSA-N 1 1 279.340 2.550 20 5 CFBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841057099 631324579 /nfs/dbraw/zinc/32/45/79/631324579.db2.gz HYMMIUABERACRS-MNOVXSKESA-N 1 1 283.759 2.608 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C(C)=O)C(C)C ZINC000811799589 631623775 /nfs/dbraw/zinc/62/37/75/631623775.db2.gz XRHDDDKYOHOHDW-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000811869416 631634708 /nfs/dbraw/zinc/63/47/08/631634708.db2.gz NHQOBHCADDAGGX-NSHDSACASA-N 1 1 280.372 2.709 20 5 CFBDMO CCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842647747 631691067 /nfs/dbraw/zinc/69/10/67/631691067.db2.gz DJAPLEBMOODSMB-UHFFFAOYSA-N 1 1 255.249 2.532 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC23CCCC3)c1 ZINC000844277142 632152451 /nfs/dbraw/zinc/15/24/51/632152451.db2.gz ZLWANPPIRKGXKE-AWEZNQCLSA-N 1 1 276.336 2.647 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573796 632289836 /nfs/dbraw/zinc/28/98/36/632289836.db2.gz ULOLDADFSKBFRD-LBPRGKRZSA-N 1 1 294.399 2.558 20 5 CFBDMO CCN(CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573796 632289840 /nfs/dbraw/zinc/28/98/40/632289840.db2.gz ULOLDADFSKBFRD-LBPRGKRZSA-N 1 1 294.399 2.558 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817299398 632599062 /nfs/dbraw/zinc/59/90/62/632599062.db2.gz ZFAZPJSPFIEVFC-GFCCVEGCSA-N 1 1 296.342 2.718 20 5 CFBDMO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848474403 633263353 /nfs/dbraw/zinc/26/33/53/633263353.db2.gz BCJJGMRUIGCPGX-UHFFFAOYSA-N 1 1 272.308 2.510 20 5 CFBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848474403 633263357 /nfs/dbraw/zinc/26/33/57/633263357.db2.gz BCJJGMRUIGCPGX-UHFFFAOYSA-N 1 1 272.308 2.510 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000848507083 633268312 /nfs/dbraw/zinc/26/83/12/633268312.db2.gz UCDKKKFEPDEQGB-ZDUSSCGKSA-N 1 1 278.356 2.794 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000848551545 633286614 /nfs/dbraw/zinc/28/66/14/633286614.db2.gz PNXISQRMLOYJHQ-FZMZJTMJSA-N 1 1 286.335 2.977 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000848785625 633343634 /nfs/dbraw/zinc/34/36/34/633343634.db2.gz NMKRIOBZRGYUEJ-CHWSQXEVSA-N 1 1 290.367 2.727 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111165619 634936684 /nfs/dbraw/zinc/93/66/84/634936684.db2.gz KSGIZDRJHBFMBQ-LLVKDONJSA-N 1 1 276.340 2.880 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853555588 635035897 /nfs/dbraw/zinc/03/58/97/635035897.db2.gz ZBVFRTXXVQOIQT-ZDUSSCGKSA-N 1 1 278.356 2.651 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579863 635041780 /nfs/dbraw/zinc/04/17/80/635041780.db2.gz ZYZRLDJGZLZWMU-RYUDHWBXSA-N 1 1 286.335 2.552 20 5 CFBDMO CCC(CC)CCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000853590337 635043393 /nfs/dbraw/zinc/04/33/93/635043393.db2.gz UJUOQPBNLSKNSJ-UHFFFAOYSA-N 1 1 268.361 2.897 20 5 CFBDMO CCC(CC)CCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000853590337 635043396 /nfs/dbraw/zinc/04/33/96/635043396.db2.gz UJUOQPBNLSKNSJ-UHFFFAOYSA-N 1 1 268.361 2.897 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853604745 635046779 /nfs/dbraw/zinc/04/67/79/635046779.db2.gz HYLROTKOFROJNU-CYBMUJFWSA-N 1 1 278.356 2.794 20 5 CFBDMO Cn1c[nH+]cc1CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000853657998 635064117 /nfs/dbraw/zinc/06/41/17/635064117.db2.gz BUPUWIHFBMRRGD-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO CCCC(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853666477 635067537 /nfs/dbraw/zinc/06/75/37/635067537.db2.gz MZEPFQGDVFRZQH-UHFFFAOYSA-N 1 1 273.239 2.672 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000853687617 635074830 /nfs/dbraw/zinc/07/48/30/635074830.db2.gz XPKCYBZAGKPRJK-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853731784 635087255 /nfs/dbraw/zinc/08/72/55/635087255.db2.gz RCXVVTQYPSCZPI-SVRRBLITSA-N 1 1 285.250 2.527 20 5 CFBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853731782 635087571 /nfs/dbraw/zinc/08/75/71/635087571.db2.gz RCXVVTQYPSCZPI-POYBYMJQSA-N 1 1 285.250 2.527 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857858025 636036719 /nfs/dbraw/zinc/03/67/19/636036719.db2.gz KFHUKVKVPVMORH-CQSZACIVSA-N 1 1 286.335 2.528 20 5 CFBDMO CCCCC[N@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000116256347 636323301 /nfs/dbraw/zinc/32/33/01/636323301.db2.gz NIVWWPPQCGDPSU-UHFFFAOYSA-N 1 1 254.334 2.649 20 5 CFBDMO CCCCC[N@@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000116256347 636323304 /nfs/dbraw/zinc/32/33/04/636323304.db2.gz NIVWWPPQCGDPSU-UHFFFAOYSA-N 1 1 254.334 2.649 20 5 CFBDMO CC(C)[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000075581539 650337551 /nfs/dbraw/zinc/33/75/51/650337551.db2.gz GUDKAJLHIFWYQV-UHFFFAOYSA-N 1 1 274.324 2.659 20 5 CFBDMO CC(C)[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000075581539 650337552 /nfs/dbraw/zinc/33/75/52/650337552.db2.gz GUDKAJLHIFWYQV-UHFFFAOYSA-N 1 1 274.324 2.659 20 5 CFBDMO CC(C)[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000075666380 650343652 /nfs/dbraw/zinc/34/36/52/650343652.db2.gz XBZUUENYUIHKDS-UHFFFAOYSA-N 1 1 274.324 2.775 20 5 CFBDMO CC[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000863664369 637737310 /nfs/dbraw/zinc/73/73/10/637737310.db2.gz YJVUSCQRQVGYGP-JTQLQIEISA-N 1 1 290.323 2.548 20 5 CFBDMO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000865417755 638322882 /nfs/dbraw/zinc/32/28/82/638322882.db2.gz CKQKWAVIXWAWFR-LLVKDONJSA-N 1 1 286.335 2.977 20 5 CFBDMO CCC(CC)C[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000077442067 650425047 /nfs/dbraw/zinc/42/50/47/650425047.db2.gz JTGQDKNMVFBCHA-UHFFFAOYSA-N 1 1 254.334 2.507 20 5 CFBDMO CCc1nocc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865788110 638574202 /nfs/dbraw/zinc/57/42/02/638574202.db2.gz ZFCQDKBDEDBBKI-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788140 638574716 /nfs/dbraw/zinc/57/47/16/638574716.db2.gz ZTPQYBZCUNZONV-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000865925288 638659186 /nfs/dbraw/zinc/65/91/86/638659186.db2.gz IFEYICKEEQCNBY-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000866114669 638744254 /nfs/dbraw/zinc/74/42/54/638744254.db2.gz ONEZCLUHKYUSLH-UHFFFAOYSA-N 1 1 281.331 2.654 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1c2ccccc2C[N@H+]1C ZINC000866195285 638767539 /nfs/dbraw/zinc/76/75/39/638767539.db2.gz QVMZFLVBBJCZJI-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000866195285 638767540 /nfs/dbraw/zinc/76/75/40/638767540.db2.gz QVMZFLVBBJCZJI-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209151 638771208 /nfs/dbraw/zinc/77/12/08/638771208.db2.gz PPSXFMHEMVLYAG-YPMHNXCESA-N 1 1 293.342 2.573 20 5 CFBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCN(C)C ZINC000866249596 638779820 /nfs/dbraw/zinc/77/98/20/638779820.db2.gz LWSAMKWRPSLWPN-NWDGAFQWSA-N 1 1 297.374 2.595 20 5 CFBDMO CC[C@@H](C[C@@H](C)O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000866303987 638792943 /nfs/dbraw/zinc/79/29/43/638792943.db2.gz SJCDBAKYNHVRGJ-MNOVXSKESA-N 1 1 289.335 2.526 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000871759362 641442212 /nfs/dbraw/zinc/44/22/12/641442212.db2.gz JHLGHVNWBNQMJT-ONGXEEELSA-N 1 1 263.297 2.558 20 5 CFBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000871934915 641517140 /nfs/dbraw/zinc/51/71/40/641517140.db2.gz ZGWADJDDIJHIPS-GRYCIOLGSA-N 1 1 293.367 2.549 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019488 641549748 /nfs/dbraw/zinc/54/97/48/641549748.db2.gz YGXILZJAUQGWJE-VXGBXAGGSA-N 1 1 295.358 2.869 20 5 CFBDMO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019488 641549752 /nfs/dbraw/zinc/54/97/52/641549752.db2.gz YGXILZJAUQGWJE-VXGBXAGGSA-N 1 1 295.358 2.869 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025940 641557160 /nfs/dbraw/zinc/55/71/60/641557160.db2.gz WBBGXIZRNZPQOG-NWDGAFQWSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037508 641570851 /nfs/dbraw/zinc/57/08/51/641570851.db2.gz CNUPUHZDFXTCBE-SRVKXCTJSA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@H]([NH2+]CC1=CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071459 641602711 /nfs/dbraw/zinc/60/27/11/641602711.db2.gz PLTDXPHSAMOZMR-JTQLQIEISA-N 1 1 280.299 2.731 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872779860 641933340 /nfs/dbraw/zinc/93/33/40/641933340.db2.gz JBJRFNCKFHMDGX-OLZOCXBDSA-N 1 1 275.352 2.576 20 5 CFBDMO CC[N@@H+]1CC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015635 641985128 /nfs/dbraw/zinc/98/51/28/641985128.db2.gz RKRQVRWOSQBXGU-CQSZACIVSA-N 1 1 291.395 2.643 20 5 CFBDMO CC[N@H+]1CC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015635 641985130 /nfs/dbraw/zinc/98/51/30/641985130.db2.gz RKRQVRWOSQBXGU-CQSZACIVSA-N 1 1 291.395 2.643 20 5 CFBDMO Cc1cc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873080912 642007289 /nfs/dbraw/zinc/00/72/89/642007289.db2.gz VZUVIONKVOWTAQ-JTQLQIEISA-N 1 1 288.351 2.656 20 5 CFBDMO CCn1nccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873183402 642053482 /nfs/dbraw/zinc/05/34/82/642053482.db2.gz KUFZVDXCMQKXMH-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO CC[N@@H+](CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876568549 642927637 /nfs/dbraw/zinc/92/76/37/642927637.db2.gz JXFMJKAIYGWYTF-UHFFFAOYSA-N 1 1 266.341 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC[C@H]1CCO1)C2 ZINC000876739858 642989160 /nfs/dbraw/zinc/98/91/60/642989160.db2.gz KJWKRFYAYPTOOP-ZDUSSCGKSA-N 1 1 276.336 2.522 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H]1CCC[N@H+]1C ZINC000877596224 643387785 /nfs/dbraw/zinc/38/77/85/643387785.db2.gz JZRYMFIWJCTMRG-CQSZACIVSA-N 1 1 291.395 2.738 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615393 643401277 /nfs/dbraw/zinc/40/12/77/643401277.db2.gz QIFNHSQIYWCYFR-TXEJJXNPSA-N 1 1 282.290 2.909 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000877621307 643407604 /nfs/dbraw/zinc/40/76/04/643407604.db2.gz QJGBQUJKGSCUGM-LLVKDONJSA-N 1 1 278.352 2.557 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000877738957 643504265 /nfs/dbraw/zinc/50/42/65/643504265.db2.gz QTZXREBBEPHCIE-KBPBESRZSA-N 1 1 292.404 2.822 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245988899 650848360 /nfs/dbraw/zinc/84/83/60/650848360.db2.gz WMXSBEHUJOWNMT-ZYHUDNBSSA-N 1 1 288.351 2.941 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877917525 643639738 /nfs/dbraw/zinc/63/97/38/643639738.db2.gz WREAPRRHJPGGNN-IVMMDQJWSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877917525 643639742 /nfs/dbraw/zinc/63/97/42/643639742.db2.gz WREAPRRHJPGGNN-IVMMDQJWSA-N 1 1 290.363 2.984 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879322041 644227652 /nfs/dbraw/zinc/22/76/52/644227652.db2.gz TZFZCYNGMJXWSN-QWRGUYRKSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879322041 644227655 /nfs/dbraw/zinc/22/76/55/644227655.db2.gz TZFZCYNGMJXWSN-QWRGUYRKSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC000879565932 644326651 /nfs/dbraw/zinc/32/66/51/644326651.db2.gz RLKBERVUSFBGRU-VXGBXAGGSA-N 1 1 296.367 2.919 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000251841964 650996116 /nfs/dbraw/zinc/99/61/16/650996116.db2.gz QXBCFDONOOYGSB-UKRRQHHQSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000882959161 645528987 /nfs/dbraw/zinc/52/89/87/645528987.db2.gz XBDWXQGNBPKDHZ-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC(=O)c1ccc(NC[C@H]2CC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000882959643 645530632 /nfs/dbraw/zinc/53/06/32/645530632.db2.gz MHFLVSJWAYQAIX-GFCCVEGCSA-N 1 1 291.351 2.694 20 5 CFBDMO CCC(=O)c1ccc(NC[C@H]2CC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000882959643 645530635 /nfs/dbraw/zinc/53/06/35/645530635.db2.gz MHFLVSJWAYQAIX-GFCCVEGCSA-N 1 1 291.351 2.694 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756634 645563624 /nfs/dbraw/zinc/56/36/24/645563624.db2.gz GDOLQHAEEVTEBM-NWDGAFQWSA-N 1 1 266.345 2.649 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884563966 646454588 /nfs/dbraw/zinc/45/45/88/646454588.db2.gz UIELPAMEPDSJMR-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000885983421 646795481 /nfs/dbraw/zinc/79/54/81/646795481.db2.gz GBPYOYAFQHKYRA-CYBMUJFWSA-N 1 1 261.325 2.754 20 5 CFBDMO C[C@H](O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885987808 646797434 /nfs/dbraw/zinc/79/74/34/646797434.db2.gz BGNMKVBPQRMVBY-LBPRGKRZSA-N 1 1 293.367 2.505 20 5 CFBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018938 646821028 /nfs/dbraw/zinc/82/10/28/646821028.db2.gz JXRXUSVZPXPMBW-QWHCGFSZSA-N 1 1 293.367 2.625 20 5 CFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018938 646821032 /nfs/dbraw/zinc/82/10/32/646821032.db2.gz JXRXUSVZPXPMBW-QWHCGFSZSA-N 1 1 293.367 2.625 20 5 CFBDMO CC(C)[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886028774 646828298 /nfs/dbraw/zinc/82/82/98/646828298.db2.gz WPVXZUGWMGBQQL-GFCCVEGCSA-N 1 1 281.381 2.563 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886028774 646828299 /nfs/dbraw/zinc/82/82/99/646828299.db2.gz WPVXZUGWMGBQQL-GFCCVEGCSA-N 1 1 281.381 2.563 20 5 CFBDMO COc1ccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000886112364 646876890 /nfs/dbraw/zinc/87/68/90/646876890.db2.gz WBJAYDZEODHQOZ-UHFFFAOYSA-N 1 1 299.330 2.777 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000886123353 646882162 /nfs/dbraw/zinc/88/21/62/646882162.db2.gz XLIUVSPSSWWBNZ-CQSZACIVSA-N 1 1 284.319 2.626 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000886123352 646882490 /nfs/dbraw/zinc/88/24/90/646882490.db2.gz XLIUVSPSSWWBNZ-AWEZNQCLSA-N 1 1 284.319 2.626 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000886237026 646933565 /nfs/dbraw/zinc/93/35/65/646933565.db2.gz TZIIQGBVCLJCKR-CQSZACIVSA-N 1 1 293.392 2.709 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886334434 646975497 /nfs/dbraw/zinc/97/54/97/646975497.db2.gz WOKGQDWMOIYNLX-AOOOYVTPSA-N 1 1 252.701 2.700 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886334434 646975499 /nfs/dbraw/zinc/97/54/99/646975499.db2.gz WOKGQDWMOIYNLX-AOOOYVTPSA-N 1 1 252.701 2.700 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815670 647149058 /nfs/dbraw/zinc/14/90/58/647149058.db2.gz HXYBGIMZOHXOSN-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cs1 ZINC000886832044 647155513 /nfs/dbraw/zinc/15/55/13/647155513.db2.gz ABCLUBPUNFWRQY-NWDGAFQWSA-N 1 1 282.365 2.657 20 5 CFBDMO COc1cc(C[N@H+](C)CCCF)c([N+](=O)[O-])cc1F ZINC000887141029 647228751 /nfs/dbraw/zinc/22/87/51/647228751.db2.gz BUFMZQMHIVVEKJ-UHFFFAOYSA-N 1 1 274.267 2.534 20 5 CFBDMO COc1cc(C[N@@H+](C)CCCF)c([N+](=O)[O-])cc1F ZINC000887141029 647228755 /nfs/dbraw/zinc/22/87/55/647228755.db2.gz BUFMZQMHIVVEKJ-UHFFFAOYSA-N 1 1 274.267 2.534 20 5 CFBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929384329 649042824 /nfs/dbraw/zinc/04/28/24/649042824.db2.gz XOOJEEWIWFAOBB-SECBINFHSA-N 1 1 276.258 2.975 20 5 CFBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929384329 649042826 /nfs/dbraw/zinc/04/28/26/649042826.db2.gz XOOJEEWIWFAOBB-SECBINFHSA-N 1 1 276.258 2.975 20 5 CFBDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723595 649107223 /nfs/dbraw/zinc/10/72/23/649107223.db2.gz LPSOVKUQKVIZFU-HUUCEWRRSA-N 1 1 262.353 2.840 20 5 CFBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929819798 649130120 /nfs/dbraw/zinc/13/01/20/649130120.db2.gz VYQJRSQFNOOKKD-OAHLLOKOSA-N 1 1 262.353 2.608 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCOC3CC3)C2)cc1 ZINC000930635826 649293464 /nfs/dbraw/zinc/29/34/64/649293464.db2.gz AHYCMVUXXCDOJT-CQSZACIVSA-N 1 1 290.363 2.953 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931724780 649480530 /nfs/dbraw/zinc/48/05/30/649480530.db2.gz MTIQTQWPOUCPFH-MJBXVCDLSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931924761 649512531 /nfs/dbraw/zinc/51/25/31/649512531.db2.gz XYFOZPMAFATNFX-DOTOQJQBSA-N 1 1 295.342 2.763 20 5 CFBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932169279 649557404 /nfs/dbraw/zinc/55/74/04/649557404.db2.gz PPHYJCDEJLAYEW-ZDUSSCGKSA-N 1 1 293.367 2.769 20 5 CFBDMO Cc1ccc(C[N@H+]2CCO[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334217 649578852 /nfs/dbraw/zinc/57/88/52/649578852.db2.gz AHSXMLPVKKSYSP-LBPRGKRZSA-N 1 1 264.325 2.514 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCO[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000932338798 649579268 /nfs/dbraw/zinc/57/92/68/649579268.db2.gz GSUCFGURXHUDDP-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCO[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000932338798 649579270 /nfs/dbraw/zinc/57/92/70/649579270.db2.gz GSUCFGURXHUDDP-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000933402344 649692298 /nfs/dbraw/zinc/69/22/98/649692298.db2.gz XSLBUYNWYSOWPI-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000933402344 649692300 /nfs/dbraw/zinc/69/23/00/649692300.db2.gz XSLBUYNWYSOWPI-UHFFFAOYSA-N 1 1 287.319 2.636 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933745059 649719157 /nfs/dbraw/zinc/71/91/57/649719157.db2.gz KRQDIHXKVXJSNO-DUVNUKRYSA-N 1 1 289.379 2.539 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105834 649750272 /nfs/dbraw/zinc/75/02/72/649750272.db2.gz QFMQPWSUKMUPPI-TZMCWYRMSA-N 1 1 264.325 2.512 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123365 649752417 /nfs/dbraw/zinc/75/24/17/649752417.db2.gz AFXYKSOAWHOEIZ-LEWSCRJBSA-N 1 1 264.325 2.765 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133430 649754354 /nfs/dbraw/zinc/75/43/54/649754354.db2.gz YWSUBSBSVCUMLK-OLZOCXBDSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133430 649754355 /nfs/dbraw/zinc/75/43/55/649754355.db2.gz YWSUBSBSVCUMLK-OLZOCXBDSA-N 1 1 284.743 2.857 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000114119900 651217967 /nfs/dbraw/zinc/21/79/67/651217967.db2.gz GWRADSVINCSLAN-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000724674309 773240654 /nfs/dbraw/zinc/24/06/54/773240654.db2.gz QFYBKBMOJJUJLR-VIFPVBQESA-N 1 1 274.324 2.786 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579456 775509398 /nfs/dbraw/zinc/50/93/98/775509398.db2.gz UGGQFOCEKORUJE-NSHDSACASA-N 1 1 268.288 2.595 20 5 CFBDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001225663587 775547497 /nfs/dbraw/zinc/54/74/97/775547497.db2.gz RIMRAZIVYIZMKC-LBPRGKRZSA-N 1 1 279.340 2.550 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225665599 775549101 /nfs/dbraw/zinc/54/91/01/775549101.db2.gz BKQXJNLVQOOYTQ-SNVBAGLBSA-N 1 1 268.288 2.597 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001225678784 775554459 /nfs/dbraw/zinc/55/44/59/775554459.db2.gz JNMPOGJTNZGDHD-CLLJXQQHSA-N 1 1 276.336 2.907 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2C)C1 ZINC001225689098 775560046 /nfs/dbraw/zinc/56/00/46/775560046.db2.gz BHDCYPLIGNCEIS-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225940857 775642422 /nfs/dbraw/zinc/64/24/22/775642422.db2.gz AUQKCSSYGAXGDY-LLVKDONJSA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226271403 775765620 /nfs/dbraw/zinc/76/56/20/775765620.db2.gz YZZCSFLGMAGXIN-LBPRGKRZSA-N 1 1 282.315 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001226811044 775973507 /nfs/dbraw/zinc/97/35/07/775973507.db2.gz VCQLRQSKQWYMIU-CYBMUJFWSA-N 1 1 282.727 2.721 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226918042 776016747 /nfs/dbraw/zinc/01/67/47/776016747.db2.gz PFXQOUJQTBPGQX-SECBINFHSA-N 1 1 285.731 2.505 20 5 CFBDMO C[N@@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228002104 776356711 /nfs/dbraw/zinc/35/67/11/776356711.db2.gz IRKIWAZDMRSBBJ-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228002104 776356716 /nfs/dbraw/zinc/35/67/16/776356716.db2.gz IRKIWAZDMRSBBJ-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001229881097 776909594 /nfs/dbraw/zinc/90/95/94/776909594.db2.gz NFIZDKJVSNLIKX-LBPRGKRZSA-N 1 1 287.319 2.802 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC001229896088 776914116 /nfs/dbraw/zinc/91/41/16/776914116.db2.gz YYVNXPVXSCWOAZ-LLVKDONJSA-N 1 1 282.315 2.904 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229918702 776917935 /nfs/dbraw/zinc/91/79/35/776917935.db2.gz GLMPXPKTEUSYHZ-JTQLQIEISA-N 1 1 299.758 2.895 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724638 777051871 /nfs/dbraw/zinc/05/18/71/777051871.db2.gz YTMMOHLZNKZYQM-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C2 ZINC001230872426 777078531 /nfs/dbraw/zinc/07/85/31/777078531.db2.gz NHTRZJREUMHPGJ-ILWJIGKKSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)cnc1[N+](=O)[O-])C2 ZINC001233714219 778051990 /nfs/dbraw/zinc/05/19/90/778051990.db2.gz ZWAMZDHTEFXWNO-JGPRNRPPSA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cnc1[N+](=O)[O-])C2 ZINC001233714228 778052488 /nfs/dbraw/zinc/05/24/88/778052488.db2.gz ZWAMZDHTEFXWNO-URLYPYJESA-N 1 1 297.742 2.647 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673796 778285493 /nfs/dbraw/zinc/28/54/93/778285493.db2.gz CYXPEPDSLNNXBL-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)cn1 ZINC000709935547 781323639 /nfs/dbraw/zinc/32/36/39/781323639.db2.gz SZGJLVIBVJLWSW-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@]1(O)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000710267187 781331482 /nfs/dbraw/zinc/33/14/82/781331482.db2.gz JQTQVBRBIKUXDZ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000710267187 781331486 /nfs/dbraw/zinc/33/14/86/781331486.db2.gz JQTQVBRBIKUXDZ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000124412527 187136409 /nfs/dbraw/zinc/13/64/09/187136409.db2.gz TWVCTHJLNGXNFC-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592289 349453953 /nfs/dbraw/zinc/45/39/53/349453953.db2.gz PFSIDTADKSFAPF-UPJWGTAASA-N 1 1 293.367 2.504 20 5 CFBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594601245 349457924 /nfs/dbraw/zinc/45/79/24/349457924.db2.gz MXQGTXQWZBVGJA-JSGCOSHPSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594601968 349458231 /nfs/dbraw/zinc/45/82/31/349458231.db2.gz QDGDVNLDOMRGPO-CHWSQXEVSA-N 1 1 294.330 2.558 20 5 CFBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000067711091 346816359 /nfs/dbraw/zinc/81/63/59/346816359.db2.gz NWCBXZVRSNHOEJ-UHFFFAOYSA-N 1 1 292.383 2.691 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nccn1C ZINC000595110225 349583344 /nfs/dbraw/zinc/58/33/44/349583344.db2.gz YZYNDQKZVLOWFZ-MFKMUULPSA-N 1 1 286.335 2.666 20 5 CFBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335217 349604666 /nfs/dbraw/zinc/60/46/66/349604666.db2.gz SOUJIFOCTQFHQC-BXUZGUMPSA-N 1 1 297.355 2.527 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595309423 349599614 /nfs/dbraw/zinc/59/96/14/349599614.db2.gz SGCJPMUOLITUME-NSHDSACASA-N 1 1 265.313 2.656 20 5 CFBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595335217 349604670 /nfs/dbraw/zinc/60/46/70/349604670.db2.gz SOUJIFOCTQFHQC-BXUZGUMPSA-N 1 1 297.355 2.527 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333337 349604724 /nfs/dbraw/zinc/60/47/24/349604724.db2.gz SDHLGGRPJWXGCO-PSASIEDQSA-N 1 1 253.302 2.512 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319734 349601284 /nfs/dbraw/zinc/60/12/84/349601284.db2.gz CWCKQPAWHSPMOP-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO Cc1noc(C[N@H+](C)CCc2cccs2)c1[N+](=O)[O-] ZINC000595324614 349602645 /nfs/dbraw/zinc/60/26/45/349602645.db2.gz DMOMDYVGHUSPJR-UHFFFAOYSA-N 1 1 281.337 2.627 20 5 CFBDMO Cc1noc(C[N@@H+](C)CCc2cccs2)c1[N+](=O)[O-] ZINC000595324614 349602647 /nfs/dbraw/zinc/60/26/47/349602647.db2.gz DMOMDYVGHUSPJR-UHFFFAOYSA-N 1 1 281.337 2.627 20 5 CFBDMO CC[C@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330801 349603128 /nfs/dbraw/zinc/60/31/28/349603128.db2.gz PCVGQMPAAGJZQJ-CYBMUJFWSA-N 1 1 267.329 2.903 20 5 CFBDMO CC[C@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330801 349603132 /nfs/dbraw/zinc/60/31/32/349603132.db2.gz PCVGQMPAAGJZQJ-CYBMUJFWSA-N 1 1 267.329 2.903 20 5 CFBDMO CC(C)OCCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330203 349603185 /nfs/dbraw/zinc/60/31/85/349603185.db2.gz KSYLPIHBBFXCFI-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1C2CCC1CC2 ZINC000595292058 349592802 /nfs/dbraw/zinc/59/28/02/349592802.db2.gz UAZTUBKMQUJVTP-UHFFFAOYSA-N 1 1 250.273 2.861 20 5 CFBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000595297991 349596217 /nfs/dbraw/zinc/59/62/17/349596217.db2.gz MJNMHFPZKQSLEZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000595297991 349596219 /nfs/dbraw/zinc/59/62/19/349596219.db2.gz MJNMHFPZKQSLEZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595348603 349608866 /nfs/dbraw/zinc/60/88/66/349608866.db2.gz UEZFAHHKDILKJY-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595348605 349608937 /nfs/dbraw/zinc/60/89/37/349608937.db2.gz UEZFAHHKDILKJY-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3CCC3)C2)nc1 ZINC000595372783 349611308 /nfs/dbraw/zinc/61/13/08/349611308.db2.gz VDFVZJBXCQAQHN-CYBMUJFWSA-N 1 1 290.367 2.666 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000595337886 349605108 /nfs/dbraw/zinc/60/51/08/349605108.db2.gz CJWUYCYPDIPBKD-GXTWGEPZSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000595337889 349605379 /nfs/dbraw/zinc/60/53/79/349605379.db2.gz CJWUYCYPDIPBKD-TZMCWYRMSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1noc(C[N@@H+](C(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000595379089 349612501 /nfs/dbraw/zinc/61/25/01/349612501.db2.gz VLCLOZQIKYZBIT-UHFFFAOYSA-N 1 1 253.302 2.654 20 5 CFBDMO Cc1noc(C[N@H+](C(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000595379089 349612506 /nfs/dbraw/zinc/61/25/06/349612506.db2.gz VLCLOZQIKYZBIT-UHFFFAOYSA-N 1 1 253.302 2.654 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595424532 349621278 /nfs/dbraw/zinc/62/12/78/349621278.db2.gz FPSRMTBWDYCLIJ-ZMLRMANQSA-N 1 1 279.340 2.902 20 5 CFBDMO Cc1noc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595440736 349627114 /nfs/dbraw/zinc/62/71/14/349627114.db2.gz GQGAVAFWZHNEKK-RYUDHWBXSA-N 1 1 297.355 2.575 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269690429 190536047 /nfs/dbraw/zinc/53/60/47/190536047.db2.gz UTVIVWLGJCXHMN-HNNXBMFYSA-N 1 1 278.352 2.893 20 5 CFBDMO CO[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595485535 349640316 /nfs/dbraw/zinc/64/03/16/349640316.db2.gz UXTRKRPCRGEVTC-MRXNPFEDSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1noc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513389 349648360 /nfs/dbraw/zinc/64/83/60/349648360.db2.gz UYNILSIHXVSEAR-NEPJUHHUSA-N 1 1 297.355 2.573 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595523515 349650293 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CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000125901308 187204173 /nfs/dbraw/zinc/20/41/73/187204173.db2.gz RFCKHAZBEALUOG-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595689170 349701257 /nfs/dbraw/zinc/70/12/57/349701257.db2.gz MQTRKPFVVGAEAJ-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679746 349698130 /nfs/dbraw/zinc/69/81/30/349698130.db2.gz XNNGAZZDUZFDKU-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755809 349723535 /nfs/dbraw/zinc/72/35/35/349723535.db2.gz CYNODQCANAIEQZ-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755809 349723537 /nfs/dbraw/zinc/72/35/37/349723537.db2.gz CYNODQCANAIEQZ-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595806757 349736773 /nfs/dbraw/zinc/73/67/73/349736773.db2.gz FYJPETNWDWYRNR-VXGBXAGGSA-N 1 1 276.336 2.835 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000595874641 349759818 /nfs/dbraw/zinc/75/98/18/349759818.db2.gz XLELSZGDWMSPTJ-UHFFFAOYSA-N 1 1 279.384 2.805 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC2(COC2)C1 ZINC000595835693 349748479 /nfs/dbraw/zinc/74/84/79/349748479.db2.gz WCWPVUKZHRGUTO-LBPRGKRZSA-N 1 1 276.336 2.687 20 5 CFBDMO COc1ccc(C[N@H+]2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000595914451 349768087 /nfs/dbraw/zinc/76/80/87/349768087.db2.gz AEXVCVROTWOZEX-UHFFFAOYSA-N 1 1 262.309 2.588 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000072828057 346942355 /nfs/dbraw/zinc/94/23/55/346942355.db2.gz RQEGIXOVFJKJLQ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828057 346942359 /nfs/dbraw/zinc/94/23/59/346942359.db2.gz RQEGIXOVFJKJLQ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169185 349816186 /nfs/dbraw/zinc/81/61/86/349816186.db2.gz SCVGALNUMNAWFF-NWDGAFQWSA-N 1 1 295.408 2.885 20 5 CFBDMO Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000596175157 349817640 /nfs/dbraw/zinc/81/76/40/349817640.db2.gz QCMARBMFHLZSAH-SNVBAGLBSA-N 1 1 292.364 2.692 20 5 CFBDMO Cn1c[nH+]cc1CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000596238815 349836690 /nfs/dbraw/zinc/83/66/90/349836690.db2.gz LVFWPEBWTFWGDD-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596336736 349868974 /nfs/dbraw/zinc/86/89/74/349868974.db2.gz SIQRDAQFARXDKM-VIFPVBQESA-N 1 1 298.774 2.928 20 5 CFBDMO Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000074744537 347030559 /nfs/dbraw/zinc/03/05/59/347030559.db2.gz NICQFCWAMWSOPD-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000075061467 347052289 /nfs/dbraw/zinc/05/22/89/347052289.db2.gz XUVOKRMTXHIEHH-OCCSQVGLSA-N 1 1 275.352 2.576 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000596543299 349936679 /nfs/dbraw/zinc/93/66/79/349936679.db2.gz RHNXCTAACYNJTF-UHFFFAOYSA-N 1 1 297.403 2.652 20 5 CFBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596551642 349939368 /nfs/dbraw/zinc/93/93/68/349939368.db2.gz HPGCMYKEEAVUQF-CQSZACIVSA-N 1 1 298.346 2.676 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000596558115 349941700 /nfs/dbraw/zinc/94/17/00/349941700.db2.gz NQXXYASJJJJMHB-HNNXBMFYSA-N 1 1 298.346 2.676 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016880845 346239185 /nfs/dbraw/zinc/23/91/85/346239185.db2.gz HFSZLKADVKANGY-NSHDSACASA-N 1 1 292.335 2.693 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026159270 346264057 /nfs/dbraw/zinc/26/40/57/346264057.db2.gz SMZNJBACUMUFCM-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000046091872 346419725 /nfs/dbraw/zinc/41/97/25/346419725.db2.gz ZNUMOXUFMSHIME-GFCCVEGCSA-N 1 1 276.336 2.596 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596652816 349969614 /nfs/dbraw/zinc/96/96/14/349969614.db2.gz IJGQCCWOIZDGJZ-CVEARBPZSA-N 1 1 291.395 2.935 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCOC1 ZINC000052072612 346512911 /nfs/dbraw/zinc/51/29/11/346512911.db2.gz IKORFNNPDJQPQS-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000060333537 346662341 /nfs/dbraw/zinc/66/23/41/346662341.db2.gz YSVXQSUGZKSNQH-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000060333542 346662455 /nfs/dbraw/zinc/66/24/55/346662455.db2.gz PTQFUJVXGIOEET-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000060493518 346667071 /nfs/dbraw/zinc/66/70/71/346667071.db2.gz NSNZQRJJDNFWIZ-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000066796556 346779867 /nfs/dbraw/zinc/77/98/67/346779867.db2.gz GFSYCQSKHRBRNR-AWEZNQCLSA-N 1 1 298.346 2.676 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605372 347368753 /nfs/dbraw/zinc/36/87/53/347368753.db2.gz CMBLDEKYPQADEU-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170420 347449347 /nfs/dbraw/zinc/44/93/47/347449347.db2.gz RSIQKAFDZIEEBC-VIFPVBQESA-N 1 1 263.297 2.966 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000091484280 347590453 /nfs/dbraw/zinc/59/04/53/347590453.db2.gz OKHPIOWYHBZYJW-SMDDNHRTSA-N 1 1 263.341 2.514 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000111253867 347752955 /nfs/dbraw/zinc/75/29/55/347752955.db2.gz QIYYHERKCSSLSD-LBPRGKRZSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603431 347816612 /nfs/dbraw/zinc/81/66/12/347816612.db2.gz SRPXISZKRDQJFQ-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603431 347816614 /nfs/dbraw/zinc/81/66/14/347816614.db2.gz SRPXISZKRDQJFQ-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000140823529 347927895 /nfs/dbraw/zinc/92/78/95/347927895.db2.gz PEVFMUNFPTYZQM-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO COc1cc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1C ZINC000312661569 348420522 /nfs/dbraw/zinc/42/05/22/348420522.db2.gz MIXCIDGYXPCEDV-UHFFFAOYSA-N 1 1 281.356 2.664 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSCC1 ZINC000273426556 192146813 /nfs/dbraw/zinc/14/68/13/192146813.db2.gz SDASDJWMMHJPRZ-UHFFFAOYSA-N 1 1 266.366 2.842 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000588067650 348770010 /nfs/dbraw/zinc/77/00/10/348770010.db2.gz GPMUGBLNFQOWIL-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000589198186 348818887 /nfs/dbraw/zinc/81/88/87/348818887.db2.gz PVMJKHZYRUCYKH-OQRGYWNNSA-N 1 1 290.363 2.701 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000589501681 348836158 /nfs/dbraw/zinc/83/61/58/348836158.db2.gz AWKFDORQDZXAHN-QWRGUYRKSA-N 1 1 292.335 2.612 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000590970291 348974667 /nfs/dbraw/zinc/97/46/67/348974667.db2.gz IBIHHTLPXZSPFU-CABCVRRESA-N 1 1 288.347 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000590969008 348974748 /nfs/dbraw/zinc/97/47/48/348974748.db2.gz ZGONYARXNYQUDI-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1csnn1 ZINC000414308017 233222293 /nfs/dbraw/zinc/22/22/93/233222293.db2.gz SGNCTLLBYCTWNL-ZJUUUORDSA-N 1 1 292.364 2.728 20 5 CFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593674189 349308555 /nfs/dbraw/zinc/30/85/55/349308555.db2.gz PGYZZWLDUPMDRJ-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)CCO ZINC000593693820 349310542 /nfs/dbraw/zinc/31/05/42/349310542.db2.gz FHIACMHWICFYNY-SRXBQZRASA-N 1 1 278.352 2.701 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694750 349311278 /nfs/dbraw/zinc/31/12/78/349311278.db2.gz RJPJFHKSEJGMLV-GFCCVEGCSA-N 1 1 280.368 2.921 20 5 CFBDMO Cc1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090691960 180024870 /nfs/dbraw/zinc/02/48/70/180024870.db2.gz FUCRKYSCXKRZPU-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091772321 180249332 /nfs/dbraw/zinc/24/93/32/180249332.db2.gz VSYPCYHFNRVHRN-BTKRWWFXSA-N 1 1 276.336 2.719 20 5 CFBDMO NC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856720 233380422 /nfs/dbraw/zinc/38/04/22/233380422.db2.gz ZJQCFBSHYRRHCL-HNNXBMFYSA-N 1 1 277.368 2.592 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000598645258 350300310 /nfs/dbraw/zinc/30/03/10/350300310.db2.gz BWONHQXHDYFWDO-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000598645258 350300315 /nfs/dbraw/zinc/30/03/15/350300315.db2.gz BWONHQXHDYFWDO-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598646990 350301470 /nfs/dbraw/zinc/30/14/70/350301470.db2.gz JBMZXBVLGMJSRX-CQSZACIVSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959917 180292060 /nfs/dbraw/zinc/29/20/60/180292060.db2.gz QTEYNMBNUPVINV-DYEKYZERSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959917 180292062 /nfs/dbraw/zinc/29/20/62/180292062.db2.gz QTEYNMBNUPVINV-DYEKYZERSA-N 1 1 277.368 2.728 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000598614575 350294063 /nfs/dbraw/zinc/29/40/63/350294063.db2.gz LQXQSFQTKZPOOF-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598954391 350348791 /nfs/dbraw/zinc/34/87/91/350348791.db2.gz DTIQOVGYPBAXDH-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO CCO[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599403609 350431484 /nfs/dbraw/zinc/43/14/84/350431484.db2.gz DURJDYQLMFDQAN-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000109333498 186247619 /nfs/dbraw/zinc/24/76/19/186247619.db2.gz NTPJWYLBXBUNGV-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO CN(C[C@@H]1CCCO1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601110479 350670698 /nfs/dbraw/zinc/67/06/98/350670698.db2.gz GVTSLTMIILVMEO-LBPRGKRZSA-N 1 1 287.319 2.758 20 5 CFBDMO C[C@H]1OCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000601130470 350677664 /nfs/dbraw/zinc/67/76/64/350677664.db2.gz LFTZCHSMBOJQTO-GHMZBOCLSA-N 1 1 287.319 2.757 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@@H](C4CC4)C3)c2c1 ZINC000601147469 350682056 /nfs/dbraw/zinc/68/20/56/350682056.db2.gz OQWYFQAUHLADSX-MRXNPFEDSA-N 1 1 299.330 2.758 20 5 CFBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000601165979 350686528 /nfs/dbraw/zinc/68/65/28/350686528.db2.gz WNTWUOYBBOVVLI-LBPRGKRZSA-N 1 1 287.319 2.758 20 5 CFBDMO C[C@@H](CCCCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601170970 350687848 /nfs/dbraw/zinc/68/78/48/350687848.db2.gz XSDZLGPNTVZBFR-NSHDSACASA-N 1 1 289.335 2.528 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183732 350690877 /nfs/dbraw/zinc/69/08/77/350690877.db2.gz DPPCSEXWIYGLMN-MNOVXSKESA-N 1 1 295.770 2.636 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601192526 350693677 /nfs/dbraw/zinc/69/36/77/350693677.db2.gz YBLRHTLALGHLNQ-VIFPVBQESA-N 1 1 269.370 2.941 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601201062 350695469 /nfs/dbraw/zinc/69/54/69/350695469.db2.gz KLXWIEBGALBQMC-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO COc1ccc(C[N@@H+](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000111298267 186391708 /nfs/dbraw/zinc/39/17/08/186391708.db2.gz OAWIPJLDNCPCFX-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC(F)(F)F)nc2c1 ZINC000602562709 350924929 /nfs/dbraw/zinc/92/49/29/350924929.db2.gz VTNYUOJFNKZGOZ-UHFFFAOYSA-N 1 1 289.213 2.778 20 5 CFBDMO COc1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000602583772 350934313 /nfs/dbraw/zinc/93/43/13/350934313.db2.gz UJFCIAWUJNGDAJ-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436038 350881844 /nfs/dbraw/zinc/88/18/44/350881844.db2.gz UITUXHXQLPTIST-AWEZNQCLSA-N 1 1 286.335 2.665 20 5 CFBDMO C[C@@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456624 350889541 /nfs/dbraw/zinc/88/95/41/350889541.db2.gz BDSAYEPIEINKKR-LBPRGKRZSA-N 1 1 288.351 2.564 20 5 CFBDMO Cn1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656248 350962388 /nfs/dbraw/zinc/96/23/88/350962388.db2.gz XKEYJCNJYZGDJI-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cn1cc(C[N@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656248 350962394 /nfs/dbraw/zinc/96/23/94/350962394.db2.gz XKEYJCNJYZGDJI-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000602671048 350969986 /nfs/dbraw/zinc/96/99/86/350969986.db2.gz HYNXNDSQMMJQIE-NSHDSACASA-N 1 1 258.268 2.771 20 5 CFBDMO Cn1cc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602686083 350978385 /nfs/dbraw/zinc/97/83/85/350978385.db2.gz OFPKAHSPRLEUKB-LLVKDONJSA-N 1 1 280.372 2.586 20 5 CFBDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771607 351020186 /nfs/dbraw/zinc/02/01/86/351020186.db2.gz GAHNZVBXSODMRJ-QWRGUYRKSA-N 1 1 280.372 2.727 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cnccn2)C2CC2)c1 ZINC000602784271 351023249 /nfs/dbraw/zinc/02/32/49/351023249.db2.gz MRXHTVIKHDNRDX-UHFFFAOYSA-N 1 1 298.346 2.592 20 5 CFBDMO CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602787155 351024520 /nfs/dbraw/zinc/02/45/20/351024520.db2.gz IEVZGVFHDQPCTM-UHFFFAOYSA-N 1 1 280.372 2.871 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c(C)s1 ZINC000602797913 351029143 /nfs/dbraw/zinc/02/91/43/351029143.db2.gz CYPYIHGNUGXWTB-VIFPVBQESA-N 1 1 294.380 2.857 20 5 CFBDMO CCN1[C@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602872905 351053909 /nfs/dbraw/zinc/05/39/09/351053909.db2.gz CQVZGGNYCQKQMU-OKILXGFUSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1[C@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602872905 351053913 /nfs/dbraw/zinc/05/39/13/351053913.db2.gz CQVZGGNYCQKQMU-OKILXGFUSA-N 1 1 291.395 2.552 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602879903 351056077 /nfs/dbraw/zinc/05/60/77/351056077.db2.gz HHAYIRUAKILFTR-AWEZNQCLSA-N 1 1 272.308 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602879903 351056079 /nfs/dbraw/zinc/05/60/79/351056079.db2.gz HHAYIRUAKILFTR-AWEZNQCLSA-N 1 1 272.308 2.655 20 5 CFBDMO Cn1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])n1 ZINC000602904000 351061140 /nfs/dbraw/zinc/06/11/40/351061140.db2.gz HFACPFZCGKGSGY-AWEZNQCLSA-N 1 1 292.383 2.873 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000603056025 351096026 /nfs/dbraw/zinc/09/60/26/351096026.db2.gz PTRRADFMRRSMBX-LLVKDONJSA-N 1 1 282.388 2.714 20 5 CFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000603853708 351186290 /nfs/dbraw/zinc/18/62/90/351186290.db2.gz KBHCITNHSSUCSX-VXGBXAGGSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000603853706 351186476 /nfs/dbraw/zinc/18/64/76/351186476.db2.gz KBHCITNHSSUCSX-NWDGAFQWSA-N 1 1 278.356 2.665 20 5 CFBDMO O=[N+]([O-])c1sccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000609560686 351507168 /nfs/dbraw/zinc/50/71/68/351507168.db2.gz MXKPRDVHXWAEOP-UHFFFAOYSA-N 1 1 278.337 2.763 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133700 351486734 /nfs/dbraw/zinc/48/67/34/351486734.db2.gz VJORXTMCOJQVQY-OAHLLOKOSA-N 1 1 276.336 2.848 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000610582720 351583769 /nfs/dbraw/zinc/58/37/69/351583769.db2.gz RPPCMGKWZBIYBS-UHFFFAOYSA-N 1 1 261.281 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000611080245 351638357 /nfs/dbraw/zinc/63/83/57/351638357.db2.gz PPAGYFDBQYAOEP-UHFFFAOYSA-N 1 1 250.273 2.529 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C(F)F)C3)nc2c1 ZINC000611179818 351648982 /nfs/dbraw/zinc/64/89/82/351648982.db2.gz KROFFLSKSSJJIM-MRVPVSSYSA-N 1 1 297.261 2.823 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C(F)F)C3)nc2c1 ZINC000611179818 351648986 /nfs/dbraw/zinc/64/89/86/351648986.db2.gz KROFFLSKSSJJIM-MRVPVSSYSA-N 1 1 297.261 2.823 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)cs1 ZINC000611179708 351649010 /nfs/dbraw/zinc/64/90/10/351649010.db2.gz HWMLPLVPWDGJSD-MRVPVSSYSA-N 1 1 262.281 2.743 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)F)C2)cs1 ZINC000611179708 351649013 /nfs/dbraw/zinc/64/90/13/351649013.db2.gz HWMLPLVPWDGJSD-MRVPVSSYSA-N 1 1 262.281 2.743 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271386 351660758 /nfs/dbraw/zinc/66/07/58/351660758.db2.gz PSAIJCOFICXPSL-UHFFFAOYSA-N 1 1 292.335 2.598 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000610987973 351629045 /nfs/dbraw/zinc/62/90/45/351629045.db2.gz KMTRUNXVZCQJIC-SNVBAGLBSA-N 1 1 297.305 2.769 20 5 CFBDMO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@H+]1C ZINC000611413136 351686124 /nfs/dbraw/zinc/68/61/24/351686124.db2.gz UEHYNJVQJGOIBX-DTWKUNHWSA-N 1 1 255.343 2.551 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501459 351698152 /nfs/dbraw/zinc/69/81/52/351698152.db2.gz CDMASHCWGSSWEQ-GWCFXTLKSA-N 1 1 252.289 2.775 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501459 351698156 /nfs/dbraw/zinc/69/81/56/351698156.db2.gz CDMASHCWGSSWEQ-GWCFXTLKSA-N 1 1 252.289 2.775 20 5 CFBDMO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501754 351699368 /nfs/dbraw/zinc/69/93/68/351699368.db2.gz HYXXWOSYLOMQSJ-SMDDNHRTSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501754 351699371 /nfs/dbraw/zinc/69/93/71/351699371.db2.gz HYXXWOSYLOMQSJ-SMDDNHRTSA-N 1 1 282.315 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC=CCC2)cc1 ZINC000611517338 351702886 /nfs/dbraw/zinc/70/28/86/351702886.db2.gz RHUOSTUWJPWOEV-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cs1 ZINC000612131098 351778849 /nfs/dbraw/zinc/77/88/49/351778849.db2.gz JPJCIMBWANPNCZ-CYBMUJFWSA-N 1 1 296.392 2.905 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612134138 351779055 /nfs/dbraw/zinc/77/90/55/351779055.db2.gz KZJPOAUJUNTUCE-APYUEPQZSA-N 1 1 290.363 2.667 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000122269292 187023225 /nfs/dbraw/zinc/02/32/25/187023225.db2.gz VIFGBPLMEJEFOF-UWVGGRQHSA-N 1 1 279.315 2.771 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122264156 187023341 /nfs/dbraw/zinc/02/33/41/187023341.db2.gz IIVUNZMOFDFLRM-MWLCHTKSSA-N 1 1 279.315 2.771 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123643956 187102292 /nfs/dbraw/zinc/10/22/92/187102292.db2.gz CNASNPKRHUDGTP-ZYHUDNBSSA-N 1 1 283.397 2.571 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742012 187107254 /nfs/dbraw/zinc/10/72/54/187107254.db2.gz BLCAFDOTUKYIEI-RISCZKNCSA-N 1 1 296.342 2.859 20 5 CFBDMO COCCCOCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271488011 191169349 /nfs/dbraw/zinc/16/93/49/191169349.db2.gz HNMIWOSKZAHCHU-ZDUSSCGKSA-N 1 1 296.367 2.641 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000271575216 191220336 /nfs/dbraw/zinc/22/03/36/191220336.db2.gz WGNOPGGBERIGLY-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000619158273 352968248 /nfs/dbraw/zinc/96/82/48/352968248.db2.gz LLJAFDNVWUUWKL-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000153219164 188071409 /nfs/dbraw/zinc/07/14/09/188071409.db2.gz SCOONTCKQHJXGO-PHIMTYICSA-N 1 1 287.319 2.968 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000153931094 188112471 /nfs/dbraw/zinc/11/24/71/188112471.db2.gz LXNGJPPMWDMXLH-PSASIEDQSA-N 1 1 296.758 2.680 20 5 CFBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358259 198258006 /nfs/dbraw/zinc/25/80/06/198258006.db2.gz FQDLOXVZKKOANF-LSDHHAIUSA-N 1 1 292.379 2.995 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000154367921 188137857 /nfs/dbraw/zinc/13/78/57/188137857.db2.gz SLOFZRBGJGLDPI-UHOFOFEASA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000157536131 188324183 /nfs/dbraw/zinc/32/41/83/188324183.db2.gz GRMXWWYLEJRYII-HNNXBMFYSA-N 1 1 286.335 2.628 20 5 CFBDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157941367 188347907 /nfs/dbraw/zinc/34/79/07/188347907.db2.gz QEZCCFZEXOGMCX-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H](O)C23CCCC3)cccc1[N+](=O)[O-] ZINC000292698062 198381089 /nfs/dbraw/zinc/38/10/89/198381089.db2.gz KPFYYIOWDWFISO-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422560813 237103563 /nfs/dbraw/zinc/10/35/63/237103563.db2.gz HRQFFFYSXGTTAC-KYOSRNDESA-N 1 1 291.395 2.708 20 5 CFBDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177227993 189038447 /nfs/dbraw/zinc/03/84/47/189038447.db2.gz BZLHIXHBBGKPAI-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000183533052 189361663 /nfs/dbraw/zinc/36/16/63/189361663.db2.gz YESSZNIBXBRCGY-CQSZACIVSA-N 1 1 290.319 2.974 20 5 CFBDMO CCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184257802 189381519 /nfs/dbraw/zinc/38/15/19/189381519.db2.gz GPXNGVDADQCZQE-UHFFFAOYSA-N 1 1 256.277 2.584 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184515165 189388478 /nfs/dbraw/zinc/38/84/78/189388478.db2.gz MBESGMMALSFSDK-CYBMUJFWSA-N 1 1 290.319 2.710 20 5 CFBDMO CO[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000425416145 239052989 /nfs/dbraw/zinc/05/29/89/239052989.db2.gz KAMDKWSSPMJEOH-MRXNPFEDSA-N 1 1 290.363 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426473861 239228770 /nfs/dbraw/zinc/22/87/70/239228770.db2.gz RQBUKQJZVVIFKO-DOMZBBRYSA-N 1 1 276.336 2.848 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275540090 193071857 /nfs/dbraw/zinc/07/18/57/193071857.db2.gz MPEPDGYPQVTEEB-GFCCVEGCSA-N 1 1 286.335 2.774 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275520771 193065062 /nfs/dbraw/zinc/06/50/62/193065062.db2.gz VIMREBSCOKWIRZ-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275520771 193065064 /nfs/dbraw/zinc/06/50/64/193065064.db2.gz VIMREBSCOKWIRZ-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275809203 193135452 /nfs/dbraw/zinc/13/54/52/193135452.db2.gz FYDJMMAKDMROOX-HAQNSBGRSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1ccnc(NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443967926 241099989 /nfs/dbraw/zinc/09/99/89/241099989.db2.gz VXRSRJLFSHKEPK-UHFFFAOYSA-N 1 1 292.383 2.832 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639948 241157336 /nfs/dbraw/zinc/15/73/36/241157336.db2.gz OEGVJYRTZBONRW-LLVKDONJSA-N 1 1 288.351 2.949 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000449592845 242055172 /nfs/dbraw/zinc/05/51/72/242055172.db2.gz ZBSNVQUIXDEDFP-AWEZNQCLSA-N 1 1 280.368 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000449549843 242022154 /nfs/dbraw/zinc/02/21/54/242022154.db2.gz AWHPMKPPOQEPAX-YCPHGPKFSA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449687446 242108405 /nfs/dbraw/zinc/10/84/05/242108405.db2.gz PNYLXUORBLBCEE-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000449686130 242108809 /nfs/dbraw/zinc/10/88/09/242108809.db2.gz XLNASBSPJIGQME-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449764475 242146343 /nfs/dbraw/zinc/14/63/43/242146343.db2.gz BJPUCCXRJCXNGF-OCCSQVGLSA-N 1 1 292.379 2.921 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449791802 242169121 /nfs/dbraw/zinc/16/91/21/242169121.db2.gz QIEWJSSNHQOTSS-UFZAZABTSA-N 1 1 290.363 2.702 20 5 CFBDMO CC[C@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453061247 243382530 /nfs/dbraw/zinc/38/25/30/243382530.db2.gz SLEJRLBDKJXHQY-FZMZJTMJSA-N 1 1 288.351 2.806 20 5 CFBDMO C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690222 203120991 /nfs/dbraw/zinc/12/09/91/203120991.db2.gz AMXPXIAZCNYRDG-STQMWFEESA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(C1)CCCOC2 ZINC000459614196 245241622 /nfs/dbraw/zinc/24/16/22/245241622.db2.gz XVCBBKZPTBORPZ-ZZXKWVIFSA-N 1 1 288.347 2.720 20 5 CFBDMO CCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026161840 372314306 /nfs/dbraw/zinc/31/43/06/372314306.db2.gz RCBALZAUQYZBHC-UHFFFAOYSA-N 1 1 279.340 2.655 20 5 CFBDMO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140824 372654045 /nfs/dbraw/zinc/65/40/45/372654045.db2.gz KHKSYWACWIQDQS-LBPRGKRZSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037140810 372654202 /nfs/dbraw/zinc/65/42/02/372654202.db2.gz JZIINRVFIVYLOC-GFCCVEGCSA-N 1 1 289.379 2.872 20 5 CFBDMO CCN(CC)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176926 372662783 /nfs/dbraw/zinc/66/27/83/372662783.db2.gz GVQGWQKJDMINGD-GFCCVEGCSA-N 1 1 265.357 2.587 20 5 CFBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000047611257 373108339 /nfs/dbraw/zinc/10/83/39/373108339.db2.gz IALPCJLMMRPUHZ-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048054434 373141459 /nfs/dbraw/zinc/14/14/59/373141459.db2.gz WAMKWRWTLWKBAP-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000049963281 373337595 /nfs/dbraw/zinc/33/75/95/373337595.db2.gz VBISLIUIRKOPNP-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051554893 373397628 /nfs/dbraw/zinc/39/76/28/373397628.db2.gz SIJIOBLZHWBOTH-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051554894 373397850 /nfs/dbraw/zinc/39/78/50/373397850.db2.gz SIJIOBLZHWBOTH-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]2CCCO)cccc1[N+](=O)[O-] ZINC000052762457 373450384 /nfs/dbraw/zinc/45/03/84/373450384.db2.gz OSTMOYPDUMUCJG-CQSZACIVSA-N 1 1 278.352 2.640 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062351298 373758743 /nfs/dbraw/zinc/75/87/43/373758743.db2.gz YCGXHEFKXBYDDT-HNNXBMFYSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068449926 374029985 /nfs/dbraw/zinc/02/99/85/374029985.db2.gz RBXXKRUPEVEXMO-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068449995 374030196 /nfs/dbraw/zinc/03/01/96/374030196.db2.gz ZQQIYLIHRRJTGO-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO Cc1c(CN2CCC[N@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069081749 374044610 /nfs/dbraw/zinc/04/46/10/374044610.db2.gz SKLLCANAQBGKEW-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289513681 197384760 /nfs/dbraw/zinc/38/47/60/197384760.db2.gz UWHAYIXWMBBLGB-NSHDSACASA-N 1 1 290.319 2.667 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072975181 374308178 /nfs/dbraw/zinc/30/81/78/374308178.db2.gz MYZBINJXMDSMEQ-CQSZACIVSA-N 1 1 278.352 2.843 20 5 CFBDMO CCC1(O)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493235570 246529659 /nfs/dbraw/zinc/52/96/59/246529659.db2.gz HVPZBXFCMROQRP-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO CCCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090516999 375017458 /nfs/dbraw/zinc/01/74/58/375017458.db2.gz JDPVCKOLZKNOES-UHFFFAOYSA-N 1 1 295.383 2.657 20 5 CFBDMO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000091437458 375051888 /nfs/dbraw/zinc/05/18/88/375051888.db2.gz SKSUQUGQZZXOJI-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000092590927 375127223 /nfs/dbraw/zinc/12/72/23/375127223.db2.gz RMMQENRXQHOVTA-GQCTYLIASA-N 1 1 284.319 2.530 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000092590927 375127232 /nfs/dbraw/zinc/12/72/32/375127232.db2.gz RMMQENRXQHOVTA-GQCTYLIASA-N 1 1 284.319 2.530 20 5 CFBDMO COC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000093383941 375226403 /nfs/dbraw/zinc/22/64/03/375226403.db2.gz XAGCXUOYDORQTJ-UHFFFAOYSA-N 1 1 294.351 2.677 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000119051445 376342346 /nfs/dbraw/zinc/34/23/46/376342346.db2.gz ISQYFYMOSCFLDY-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130360088 377544768 /nfs/dbraw/zinc/54/47/68/377544768.db2.gz OGZQALOCHDBHNG-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000130801814 377612856 /nfs/dbraw/zinc/61/28/56/377612856.db2.gz POJZJEBDEYRLHB-LLVKDONJSA-N 1 1 290.319 2.667 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000133504373 377935912 /nfs/dbraw/zinc/93/59/12/377935912.db2.gz QVBCCFYTFRGXFT-DTWKUNHWSA-N 1 1 296.758 2.680 20 5 CFBDMO CCOc1cccc(NC[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000134902825 378060391 /nfs/dbraw/zinc/06/03/91/378060391.db2.gz PYKNNXCTXYNGGT-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO CCOc1cccc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000134914041 378061845 /nfs/dbraw/zinc/06/18/45/378061845.db2.gz ADSPNYOYYPBEJV-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000138903560 378234298 /nfs/dbraw/zinc/23/42/98/378234298.db2.gz JHJAGCSWOBAQJU-UWVGGRQHSA-N 1 1 260.297 2.730 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152904046 378457462 /nfs/dbraw/zinc/45/74/62/378457462.db2.gz MPKYGRLYYOCZCI-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)[NH+](C)C ZINC000152611897 378433034 /nfs/dbraw/zinc/43/30/34/378433034.db2.gz JBFUMIJAEHALKL-LBPRGKRZSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153944916 378526574 /nfs/dbraw/zinc/52/65/74/378526574.db2.gz LELIKZPJHGASRG-HNNXBMFYSA-N 1 1 276.336 2.516 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295221 378664610 /nfs/dbraw/zinc/66/46/10/378664610.db2.gz SGRCUQQRGYXSGU-JMSVASOKSA-N 1 1 278.352 2.576 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332247143 378739564 /nfs/dbraw/zinc/73/95/64/378739564.db2.gz XDFKVOGJAPZPBZ-AWEZNQCLSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CCCCO1)CC2 ZINC000332574982 378777422 /nfs/dbraw/zinc/77/74/22/378777422.db2.gz CDBSASMOHOEBBK-MRXNPFEDSA-N 1 1 290.363 2.912 20 5 CFBDMO Cc1c(C[N@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000170766147 379150357 /nfs/dbraw/zinc/15/03/57/379150357.db2.gz YUYLJAGZAJHBEJ-NSHDSACASA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccnn1C ZINC000278841656 194178865 /nfs/dbraw/zinc/17/88/65/194178865.db2.gz UVAZNRVIOQBWDX-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO COCCCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171497745 379322370 /nfs/dbraw/zinc/32/23/70/379322370.db2.gz SVTGAEONQMRIAX-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172860477 379659731 /nfs/dbraw/zinc/65/97/31/379659731.db2.gz IQTHMAXBRRMRQN-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172860477 379659738 /nfs/dbraw/zinc/65/97/38/379659738.db2.gz IQTHMAXBRRMRQN-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000173947699 379805232 /nfs/dbraw/zinc/80/52/32/379805232.db2.gz PUZZXOQBPNIEGM-HNNXBMFYSA-N 1 1 291.395 2.901 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(c3ccccc3)CC2)n1 ZINC000176191081 380192117 /nfs/dbraw/zinc/19/21/17/380192117.db2.gz UZVJJKBOOVXRKU-UHFFFAOYSA-N 1 1 298.346 2.581 20 5 CFBDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211738 380195682 /nfs/dbraw/zinc/19/56/82/380195682.db2.gz BSCCKULIEZGVDV-NSHDSACASA-N 1 1 292.314 2.623 20 5 CFBDMO Cc1ccc([C@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176210339 380196354 /nfs/dbraw/zinc/19/63/54/380196354.db2.gz LUTGXIKSPXMTLV-ZDUSSCGKSA-N 1 1 288.351 2.793 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246117 380201057 /nfs/dbraw/zinc/20/10/57/380201057.db2.gz DAJGJQLBTZYGOR-ZDUSSCGKSA-N 1 1 280.372 2.549 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177853837 380385890 /nfs/dbraw/zinc/38/58/90/380385890.db2.gz GAPOCPVFVBNANS-LBPRGKRZSA-N 1 1 293.367 2.901 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000178172463 380418636 /nfs/dbraw/zinc/41/86/36/380418636.db2.gz NLCBDUUUZFWUQK-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336787999 380634997 /nfs/dbraw/zinc/63/49/97/380634997.db2.gz GEHNSNABMJZSNQ-SECBINFHSA-N 1 1 252.289 2.964 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336810067 380670084 /nfs/dbraw/zinc/67/00/84/380670084.db2.gz HAKCRKYQBVTCCO-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC[C@H]1C ZINC000264513970 383749547 /nfs/dbraw/zinc/74/95/47/383749547.db2.gz YKQSAFQKALKEDU-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000368396819 381011922 /nfs/dbraw/zinc/01/19/22/381011922.db2.gz HIDUHAPRHCVCEC-XYPWUTKMSA-N 1 1 290.363 2.515 20 5 CFBDMO COC[C@H]1CC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354057592 381049339 /nfs/dbraw/zinc/04/93/39/381049339.db2.gz XCGPFBUKUXDCIS-CYBMUJFWSA-N 1 1 278.352 2.939 20 5 CFBDMO COC[C@H]1CC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354057592 381049346 /nfs/dbraw/zinc/04/93/46/381049346.db2.gz XCGPFBUKUXDCIS-CYBMUJFWSA-N 1 1 278.352 2.939 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289689788 381103156 /nfs/dbraw/zinc/10/31/56/381103156.db2.gz IBPZCYFVCLHUJA-CABCVRRESA-N 1 1 290.363 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289689788 381103159 /nfs/dbraw/zinc/10/31/59/381103159.db2.gz IBPZCYFVCLHUJA-CABCVRRESA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102438 381160584 /nfs/dbraw/zinc/16/05/84/381160584.db2.gz ZUIKBTPNYYASKX-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102438 381160589 /nfs/dbraw/zinc/16/05/89/381160589.db2.gz ZUIKBTPNYYASKX-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc([N+](=O)[O-])cc1 ZINC000295934437 381166373 /nfs/dbraw/zinc/16/63/73/381166373.db2.gz FWVPNUYSTXQKLA-JTQLQIEISA-N 1 1 276.292 2.531 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000182995289 381195243 /nfs/dbraw/zinc/19/52/43/381195243.db2.gz XHUINEDNBNMNQR-SWLSCSKDSA-N 1 1 278.352 2.811 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000183296717 381251836 /nfs/dbraw/zinc/25/18/36/381251836.db2.gz BIXBJKPBJLPXKU-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000183296717 381251841 /nfs/dbraw/zinc/25/18/41/381251841.db2.gz BIXBJKPBJLPXKU-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cs1 ZINC000369467011 381266719 /nfs/dbraw/zinc/26/67/19/381266719.db2.gz KXPXAAMQAGASJI-VXGBXAGGSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)cs1 ZINC000369467011 381266725 /nfs/dbraw/zinc/26/67/25/381266725.db2.gz KXPXAAMQAGASJI-VXGBXAGGSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369467103 381267882 /nfs/dbraw/zinc/26/78/82/381267882.db2.gz LETOEIXJLXAWCW-LSDHHAIUSA-N 1 1 276.336 2.738 20 5 CFBDMO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296059710 381236315 /nfs/dbraw/zinc/23/63/15/381236315.db2.gz PEYOTPKFJOSNIC-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)n1 ZINC000359112602 381272120 /nfs/dbraw/zinc/27/21/20/381272120.db2.gz XWLUYSXEVKPPLC-UHFFFAOYSA-N 1 1 280.372 2.749 20 5 CFBDMO C[N@H+](CC[C@@H]1CCCO1)Cc1csc([N+](=O)[O-])c1 ZINC000342611337 381433633 /nfs/dbraw/zinc/43/36/33/381433633.db2.gz XUQIMMKZGADNOS-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1csc([N+](=O)[O-])c1 ZINC000342611337 381433638 /nfs/dbraw/zinc/43/36/38/381433638.db2.gz XUQIMMKZGADNOS-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO CC/C=C/CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662346 381456355 /nfs/dbraw/zinc/45/63/55/381456355.db2.gz AUPPXLHZAYGZBI-OOPCZODUSA-N 1 1 290.367 2.832 20 5 CFBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290715916 381529070 /nfs/dbraw/zinc/52/90/70/381529070.db2.gz OWOKXZMLEHKPFY-LLVKDONJSA-N 1 1 292.383 2.703 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC23CCCCC3)n1 ZINC000371166506 381559924 /nfs/dbraw/zinc/55/99/24/381559924.db2.gz RFFHMUYUZAGUMN-UHFFFAOYSA-N 1 1 278.356 2.590 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000290814277 381561775 /nfs/dbraw/zinc/56/17/75/381561775.db2.gz RNLGGDCXUBVYQS-QWRGUYRKSA-N 1 1 291.351 2.641 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSCC1 ZINC000348477076 381584879 /nfs/dbraw/zinc/58/48/79/381584879.db2.gz IKRCYQUFIVRJSD-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332752 381592737 /nfs/dbraw/zinc/59/27/37/381592737.db2.gz RKLQAIKHWKZKHC-GJZGRUSLSA-N 1 1 290.363 2.762 20 5 CFBDMO Cc1ncccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348672613 381663342 /nfs/dbraw/zinc/66/33/42/381663342.db2.gz MHIKOCVFNZILIY-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291063073 381651414 /nfs/dbraw/zinc/65/14/14/381651414.db2.gz KHPOHAVSLCEFTA-XOVSCCBYSA-N 1 1 278.352 2.965 20 5 CFBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291067329 381653668 /nfs/dbraw/zinc/65/36/68/381653668.db2.gz KXDNBFVECZPQEQ-VIFPVBQESA-N 1 1 258.343 2.513 20 5 CFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291067329 381653679 /nfs/dbraw/zinc/65/36/79/381653679.db2.gz KXDNBFVECZPQEQ-VIFPVBQESA-N 1 1 258.343 2.513 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCC3)C2)c(F)c1 ZINC000348710522 381679498 /nfs/dbraw/zinc/67/94/98/381679498.db2.gz CYOYUNPSLHFGHW-UHFFFAOYSA-N 1 1 264.300 2.966 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000355213498 381683091 /nfs/dbraw/zinc/68/30/91/381683091.db2.gz RCZYGTJXBCLWAD-CHWSQXEVSA-N 1 1 296.392 2.905 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOC1 ZINC000298747328 381734666 /nfs/dbraw/zinc/73/46/66/381734666.db2.gz ZZAMRUIXKCZZIF-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000343477865 381740750 /nfs/dbraw/zinc/74/07/50/381740750.db2.gz PAXVWUYMROTXAX-NEPJUHHUSA-N 1 1 278.356 2.501 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000360047436 381748811 /nfs/dbraw/zinc/74/88/11/381748811.db2.gz LHCMDKLLJLSVGN-VXGBXAGGSA-N 1 1 295.358 2.961 20 5 CFBDMO COc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488937 381748935 /nfs/dbraw/zinc/74/89/35/381748935.db2.gz ZIMOUTHSKUKERV-ONGXEEELSA-N 1 1 297.330 2.637 20 5 CFBDMO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291849910 381778153 /nfs/dbraw/zinc/77/81/53/381778153.db2.gz OZQCOFPYLQXMDN-ZDUSSCGKSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292447377 381806078 /nfs/dbraw/zinc/80/60/78/381806078.db2.gz YWDRWSIGFJWXDT-ZDUSSCGKSA-N 1 1 289.379 2.905 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000299063157 381812142 /nfs/dbraw/zinc/81/21/42/381812142.db2.gz MALQSSFHWPOYAL-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000343669137 381878894 /nfs/dbraw/zinc/87/88/94/381878894.db2.gz CCKMPEXQFNJUSW-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1Cl ZINC000292904006 381895562 /nfs/dbraw/zinc/89/55/62/381895562.db2.gz AQFMLUNIWORDMT-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1Cl ZINC000292904006 381895566 /nfs/dbraw/zinc/89/55/66/381895566.db2.gz AQFMLUNIWORDMT-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292899977 381892928 /nfs/dbraw/zinc/89/29/28/381892928.db2.gz AIQLWROWRIKWQI-INIZCTEOSA-N 1 1 292.379 2.825 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CCOCC1 ZINC000293041383 381962249 /nfs/dbraw/zinc/96/22/49/381962249.db2.gz XFLVPWKOHAHVCJ-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373279301 381968374 /nfs/dbraw/zinc/96/83/74/381968374.db2.gz SJBUFZXARQHQLO-ABAIWWIYSA-N 1 1 276.336 2.503 20 5 CFBDMO C[N@H+]1CC[C@@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293057986 381970875 /nfs/dbraw/zinc/97/08/75/381970875.db2.gz MTTSEUKWBRCSKL-CQSZACIVSA-N 1 1 295.770 2.780 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292993602 381940938 /nfs/dbraw/zinc/94/09/38/381940938.db2.gz MKOAQVMJOGYWBW-VXGBXAGGSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000292993597 381941770 /nfs/dbraw/zinc/94/17/70/381941770.db2.gz MKOAQVMJOGYWBW-RYUDHWBXSA-N 1 1 291.351 2.572 20 5 CFBDMO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000299452793 381948994 /nfs/dbraw/zinc/94/89/94/381948994.db2.gz ZWFICXXHKWVTQU-UHFFFAOYSA-N 1 1 293.367 2.562 20 5 CFBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000299664685 382021247 /nfs/dbraw/zinc/02/12/47/382021247.db2.gz QXLYKIKUMGDJMP-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000299664685 382021254 /nfs/dbraw/zinc/02/12/54/382021254.db2.gz QXLYKIKUMGDJMP-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929422 382024258 /nfs/dbraw/zinc/02/42/58/382024258.db2.gz QMNDMINPYUPYOX-XHDPSFHLSA-N 1 1 277.368 2.586 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351938524 382079822 /nfs/dbraw/zinc/07/98/22/382079822.db2.gz WLTOXWYLBCEFON-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293328562 382080076 /nfs/dbraw/zinc/08/00/76/382080076.db2.gz GHRJNXUYZIQKFD-NEPJUHHUSA-N 1 1 291.351 2.572 20 5 CFBDMO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000344032023 382081713 /nfs/dbraw/zinc/08/17/13/382081713.db2.gz OFYBSLFGVBLHMR-UHFFFAOYSA-N 1 1 280.372 2.871 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293355199 382092065 /nfs/dbraw/zinc/09/20/65/382092065.db2.gz IBGNXKBATDOQNR-XQQFMLRXSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301394599 382167159 /nfs/dbraw/zinc/16/71/59/382167159.db2.gz KNNDQPOQCIQDTK-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO C[N@@H+](CCc1ccccc1O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344159685 382169087 /nfs/dbraw/zinc/16/90/87/382169087.db2.gz GNJSPCYXVAYGIL-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@H](CO)C1 ZINC000377236528 382239329 /nfs/dbraw/zinc/23/93/29/382239329.db2.gz FTTBRMCDXRBOIH-GPAKFWEMSA-N 1 1 290.363 2.702 20 5 CFBDMO C[N@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000377239938 382239441 /nfs/dbraw/zinc/23/94/41/382239441.db2.gz NVPALWWSTNOTRS-UHFFFAOYSA-N 1 1 289.379 2.655 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419334517 382289917 /nfs/dbraw/zinc/28/99/17/382289917.db2.gz VOOAEPGGDPRXPU-OLZOCXBDSA-N 1 1 294.399 2.938 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352526873 382381632 /nfs/dbraw/zinc/38/16/32/382381632.db2.gz STCJOGQMACZMIK-SNVBAGLBSA-N 1 1 252.314 2.834 20 5 CFBDMO C[C@@H](F)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559221 382395617 /nfs/dbraw/zinc/39/56/17/382395617.db2.gz CIPOESXENUGMCH-LLVKDONJSA-N 1 1 254.305 2.817 20 5 CFBDMO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000378164220 382410566 /nfs/dbraw/zinc/41/05/66/382410566.db2.gz LVKOEXLFIHQVTA-GBXSZLQWSA-N 1 1 298.346 2.998 20 5 CFBDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000308642063 382483990 /nfs/dbraw/zinc/48/39/90/382483990.db2.gz OZESVUKDJPSMHR-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]12CCOC2 ZINC000421399980 382518381 /nfs/dbraw/zinc/51/83/81/382518381.db2.gz JDDXKVVFBODUFG-WQMJKPAKSA-N 1 1 288.347 2.863 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295097446 382576683 /nfs/dbraw/zinc/57/66/83/382576683.db2.gz FZLCNRWIMYNCRV-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2COC[C@@H]21 ZINC000384800398 382558776 /nfs/dbraw/zinc/55/87/76/382558776.db2.gz SWTSXQVHHTXQOG-GXTWGEPZSA-N 1 1 294.326 2.591 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2COC[C@@H]21 ZINC000384800398 382558779 /nfs/dbraw/zinc/55/87/79/382558779.db2.gz SWTSXQVHHTXQOG-GXTWGEPZSA-N 1 1 294.326 2.591 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895246 382561014 /nfs/dbraw/zinc/56/10/14/382561014.db2.gz LYLHKOQQQRFJNO-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000384895246 382561017 /nfs/dbraw/zinc/56/10/17/382561017.db2.gz LYLHKOQQQRFJNO-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccn(C)n1 ZINC000358321761 382567213 /nfs/dbraw/zinc/56/72/13/382567213.db2.gz KANJNZJLQSIXEH-CYBMUJFWSA-N 1 1 288.351 2.878 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000353751863 382626422 /nfs/dbraw/zinc/62/64/22/382626422.db2.gz ZEFOBXJOVJPYAD-CJNGLKHVSA-N 1 1 291.395 2.899 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189637185 382631505 /nfs/dbraw/zinc/63/15/05/382631505.db2.gz XELALIBDQABPLI-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000358348871 382581797 /nfs/dbraw/zinc/58/17/97/382581797.db2.gz YKYIKSWRYONNIZ-UHFFFAOYSA-N 1 1 275.352 2.967 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190219716 382657381 /nfs/dbraw/zinc/65/73/81/382657381.db2.gz FKDLHVAHHFTPTL-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191011784 382688389 /nfs/dbraw/zinc/68/83/89/382688389.db2.gz AIDFBNQURPNFPU-CDVVCGDMSA-N 1 1 290.363 2.845 20 5 CFBDMO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000193386154 382719478 /nfs/dbraw/zinc/71/94/78/382719478.db2.gz ZSYMRNBULHIMIF-RYUDHWBXSA-N 1 1 292.383 2.709 20 5 CFBDMO COc1ccc(C[N@@H+](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000575057082 382725144 /nfs/dbraw/zinc/72/51/44/382725144.db2.gz BUCPJJIFITZQPE-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337255095 382786944 /nfs/dbraw/zinc/78/69/44/382786944.db2.gz RDOSYHWPODTROA-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337254894 382787011 /nfs/dbraw/zinc/78/70/11/382787011.db2.gz RDOSYHWPODTROA-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)C1CCC1 ZINC000221194986 382797887 /nfs/dbraw/zinc/79/78/87/382797887.db2.gz GMUNIEZHYKBIDR-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000226098347 382824692 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C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000494688566 382919432 /nfs/dbraw/zinc/91/94/32/382919432.db2.gz TYEUTLSMIVAVBM-MRVPVSSYSA-N 1 1 280.715 2.822 20 5 CFBDMO C[C@H](C1CCCCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000338342857 382996830 /nfs/dbraw/zinc/99/68/30/382996830.db2.gz PFDFAIYONBVJPN-GFCCVEGCSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338349509 382998921 /nfs/dbraw/zinc/99/89/21/382998921.db2.gz NSJNBRWGLWCHOE-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO [NH3+][C@H]1C[C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017757 383013514 /nfs/dbraw/zinc/01/35/14/383013514.db2.gz XAVCHFYMDYZJRM-DLBZAZTESA-N 1 1 297.358 2.872 20 5 CFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000447905624 383028692 /nfs/dbraw/zinc/02/86/92/383028692.db2.gz UOSWXTDCXBVRJN-HNNXBMFYSA-N 1 1 291.395 2.805 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000447905624 383028699 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CCO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449491948 383330294 /nfs/dbraw/zinc/33/02/94/383330294.db2.gz ICPPZQMVMTTZMZ-DOMZBBRYSA-N 1 1 278.352 2.842 20 5 CFBDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000249161747 383333219 /nfs/dbraw/zinc/33/32/19/383333219.db2.gz JJEQBNOEEFYVQL-MOCUHTECSA-N 1 1 290.363 2.965 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000466819791 383345526 /nfs/dbraw/zinc/34/55/26/383345526.db2.gz RZOOOPFZWODAOC-BXUZGUMPSA-N 1 1 275.352 2.798 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464695805 383313043 /nfs/dbraw/zinc/31/30/43/383313043.db2.gz WJSGQWGGHARNPM-UWVGGRQHSA-N 1 1 282.315 2.973 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000523440357 383354404 /nfs/dbraw/zinc/35/44/04/383354404.db2.gz HEEHFKQRVCJGNB-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619686 383376858 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CC[C@](C)(O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548461 383642502 /nfs/dbraw/zinc/64/25/02/383642502.db2.gz NKNNUBLAWCWLEV-ZBFHGGJFSA-N 1 1 292.379 2.935 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncccn3)C2)cc1 ZINC000451553626 383644683 /nfs/dbraw/zinc/64/46/83/383644683.db2.gz YEYSDTNBHAEXHP-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC000451553626 383644687 /nfs/dbraw/zinc/64/46/87/383644687.db2.gz YEYSDTNBHAEXHP-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489460963 383622064 /nfs/dbraw/zinc/62/20/64/383622064.db2.gz DPNKQMGSZYVCEQ-CYBMUJFWSA-N 1 1 264.325 2.834 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000530865468 383798681 /nfs/dbraw/zinc/79/86/81/383798681.db2.gz PWJWOPZCGGDZBJ-BPLDGKMQSA-N 1 1 292.383 2.692 20 5 CFBDMO COC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265209119 383861619 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C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCO1 ZINC000266765499 384234197 /nfs/dbraw/zinc/23/41/97/384234197.db2.gz UXDHMWZZIBUQRJ-NEPJUHHUSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCO1 ZINC000266765503 384234783 /nfs/dbraw/zinc/23/47/83/384234783.db2.gz UXDHMWZZIBUQRJ-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267646524 384433347 /nfs/dbraw/zinc/43/33/47/384433347.db2.gz WOWIDZLXQKSGPA-SECBINFHSA-N 1 1 261.281 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000375854279 285111282 /nfs/dbraw/zinc/11/12/82/285111282.db2.gz SWLCHLHEYOWATH-AWEZNQCLSA-N 1 1 286.335 2.528 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113777 384534879 /nfs/dbraw/zinc/53/48/79/384534879.db2.gz FSTRRLPIXQCLPL-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113777 384534884 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O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)cc1 ZINC000451550490 285139494 /nfs/dbraw/zinc/13/94/94/285139494.db2.gz RYBWBTXELCTDBX-HIFRSBDPSA-N 1 1 290.363 2.811 20 5 CFBDMO CCC[N@@H+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269625709 384809245 /nfs/dbraw/zinc/80/92/45/384809245.db2.gz CNRWPWIZECQTLU-OAHLLOKOSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269624266 384809260 /nfs/dbraw/zinc/80/92/60/384809260.db2.gz CAFLZPXBKGVITQ-XUJVJEKNSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693553 384839733 /nfs/dbraw/zinc/83/97/33/384839733.db2.gz JEMRWFIMAMVENC-OAHLLOKOSA-N 1 1 290.319 2.662 20 5 CFBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000270290579 385044281 /nfs/dbraw/zinc/04/42/81/385044281.db2.gz ODILAQNFSPUXOZ-GDBMZVCRSA-N 1 1 298.346 2.847 20 5 CFBDMO CCC(=O)c1ccc(NCC[N@H+](C)CC)c([N+](=O)[O-])c1 ZINC000280707823 385122614 /nfs/dbraw/zinc/12/26/14/385122614.db2.gz KYPSLERXHHCADR-UHFFFAOYSA-N 1 1 279.340 2.551 20 5 CFBDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282421067 385306650 /nfs/dbraw/zinc/30/66/50/385306650.db2.gz BPJUAVANGJJDOJ-LLVKDONJSA-N 1 1 292.364 2.557 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000271133193 385346971 /nfs/dbraw/zinc/34/69/71/385346971.db2.gz ASDFGJSNVYIPKH-HNNXBMFYSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000271183062 385365737 /nfs/dbraw/zinc/36/57/37/385365737.db2.gz IDDPMUJBWOMNOH-HNNXBMFYSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000282489737 385325157 /nfs/dbraw/zinc/32/51/57/385325157.db2.gz MLWCJRRHHJOQSH-LLVKDONJSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCC[C@H]1O ZINC000283161095 385441450 /nfs/dbraw/zinc/44/14/50/385441450.db2.gz OYONCPXQUNSJIM-IUODEOHRSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272479312 385548060 /nfs/dbraw/zinc/54/80/60/385548060.db2.gz GMZHQPZVWUNGJR-UKRRQHHQSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272620772 385577482 /nfs/dbraw/zinc/57/74/82/385577482.db2.gz YHZYIELWWKYJAR-HOCLYGCPSA-N 1 1 292.379 2.886 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000272583358 385569031 /nfs/dbraw/zinc/56/90/31/385569031.db2.gz SBQVIFLYRGZAFL-HIFRSBDPSA-N 1 1 278.352 2.578 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286397961 385608335 /nfs/dbraw/zinc/60/83/35/385608335.db2.gz ODHKFRJNOQUWEO-YIONKMFJSA-N 1 1 275.352 2.656 20 5 CFBDMO C[C@@H](CF)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000288451356 197082584 /nfs/dbraw/zinc/08/25/84/197082584.db2.gz MXVNULVCCBKMEQ-ZETCQYMHSA-N 1 1 278.230 2.644 20 5 CFBDMO C[C@H](CF)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000288451353 197082104 /nfs/dbraw/zinc/08/21/04/197082104.db2.gz MXVNULVCCBKMEQ-SSDOTTSWSA-N 1 1 278.230 2.644 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976065 386097285 /nfs/dbraw/zinc/09/72/85/386097285.db2.gz XQBDHKQPQXVCKV-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCSC ZINC000281238802 195162716 /nfs/dbraw/zinc/16/27/16/195162716.db2.gz CUBPEIYFZYRPIV-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCCO1 ZINC000281391114 195222472 /nfs/dbraw/zinc/22/24/72/195222472.db2.gz WVDVATQBVAYMPW-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccoc1C ZINC000414338065 533223300 /nfs/dbraw/zinc/22/33/00/533223300.db2.gz YDPFOEFCNANIET-UHFFFAOYSA-N 1 1 276.292 2.795 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281581986 195296984 /nfs/dbraw/zinc/29/69/84/195296984.db2.gz DIJOSWPBYAQEOR-SMDDNHRTSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000414149691 533504202 /nfs/dbraw/zinc/50/42/02/533504202.db2.gz VAIVBRRFPCCXIU-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877581 130104105 /nfs/dbraw/zinc/10/41/05/130104105.db2.gz PFDFNTLUQLZKQW-SGMGOOAPSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877581 130104106 /nfs/dbraw/zinc/10/41/06/130104106.db2.gz PFDFNTLUQLZKQW-SGMGOOAPSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000191958000 130338574 /nfs/dbraw/zinc/33/85/74/130338574.db2.gz YLEFUDAQOPIVTA-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000191958006 130338887 /nfs/dbraw/zinc/33/88/87/130338887.db2.gz YLEFUDAQOPIVTA-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192190383 130390225 /nfs/dbraw/zinc/39/02/25/130390225.db2.gz SKZIHEGVTCOEDY-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@H]1O ZINC000249296393 131121544 /nfs/dbraw/zinc/12/15/44/131121544.db2.gz BRTCBZVQDQSGOC-UONOGXRCSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C1 ZINC000263708969 131313571 /nfs/dbraw/zinc/31/35/71/131313571.db2.gz MSHYLZWVSFPLCP-LLVKDONJSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000180423132 393482163 /nfs/dbraw/zinc/48/21/63/393482163.db2.gz ZPLBPXCYEKNCLV-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000301930749 393482523 /nfs/dbraw/zinc/48/25/23/393482523.db2.gz KVYZPHCUVQPDAB-JTQLQIEISA-N 1 1 269.370 2.943 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000301474136 393472218 /nfs/dbraw/zinc/47/22/18/393472218.db2.gz VKDMSBDQHSJZAA-ZDUSSCGKSA-N 1 1 277.368 2.905 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301702124 393476155 /nfs/dbraw/zinc/47/61/55/393476155.db2.gz GMZRIGUYJJNEDJ-XJKSGUPXSA-N 1 1 289.379 2.824 20 5 CFBDMO CC(C)C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C ZINC000037562658 393531961 /nfs/dbraw/zinc/53/19/61/393531961.db2.gz LZMIZBJDVRSTAK-GFCCVEGCSA-N 1 1 285.413 2.722 20 5 CFBDMO C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332168250 393559647 /nfs/dbraw/zinc/55/96/47/393559647.db2.gz BKZFZOFSGAUCOL-JTQLQIEISA-N 1 1 274.324 2.846 20 5 CFBDMO C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332168250 393559653 /nfs/dbraw/zinc/55/96/53/393559653.db2.gz BKZFZOFSGAUCOL-JTQLQIEISA-N 1 1 274.324 2.846 20 5 CFBDMO CC(C)C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330954355 393553696 /nfs/dbraw/zinc/55/36/96/393553696.db2.gz MFTIXUYZSCJQNN-GFCCVEGCSA-N 1 1 280.372 2.586 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000049752616 393615095 /nfs/dbraw/zinc/61/50/95/393615095.db2.gz NCHFHFWMKJDHTK-UHFFFAOYSA-N 1 1 286.331 2.589 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000049752616 393615097 /nfs/dbraw/zinc/61/50/97/393615097.db2.gz NCHFHFWMKJDHTK-UHFFFAOYSA-N 1 1 286.331 2.589 20 5 CFBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000195352621 393738596 /nfs/dbraw/zinc/73/85/96/393738596.db2.gz KLKVMCXSHPAOAV-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509068 393742294 /nfs/dbraw/zinc/74/22/94/393742294.db2.gz KYJXLJNLAYJSFQ-NSHDSACASA-N 1 1 298.412 2.975 20 5 CFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510742 393742952 /nfs/dbraw/zinc/74/29/52/393742952.db2.gz AAGOTILASYMVFV-OUAUKWLOSA-N 1 1 298.412 2.830 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC1(C)C ZINC000077382672 393698162 /nfs/dbraw/zinc/69/81/62/393698162.db2.gz MYMGUTVKAZUINP-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000077358867 393699037 /nfs/dbraw/zinc/69/90/37/393699037.db2.gz JNWGPMWDEMJATJ-UHFFFAOYSA-N 1 1 291.351 2.796 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1cnc[nH]1 ZINC000194986620 393727144 /nfs/dbraw/zinc/72/71/44/393727144.db2.gz MXVDFUALLGWEIA-UHFFFAOYSA-N 1 1 288.307 2.506 20 5 CFBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000470175820 393899272 /nfs/dbraw/zinc/89/92/72/393899272.db2.gz SQHVQZYOUBWYEB-JQIVSHAJSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246249231 393856807 /nfs/dbraw/zinc/85/68/07/393856807.db2.gz PEKAUNKIEWYRFU-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C ZINC000120155776 393930223 /nfs/dbraw/zinc/93/02/23/393930223.db2.gz HRVBVIWEYASMOV-JSGCOSHPSA-N 1 1 280.372 2.692 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000430217666 393969647 /nfs/dbraw/zinc/96/96/47/393969647.db2.gz KBKVPFXFIHTZRB-RISCZKNCSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC1 ZINC000430217766 393969829 /nfs/dbraw/zinc/96/98/29/393969829.db2.gz IGEMWDXAYMIAIL-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCOC(C)C ZINC000430226113 393970651 /nfs/dbraw/zinc/97/06/51/393970651.db2.gz LVUIASSDOMLPLI-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000430236564 393971458 /nfs/dbraw/zinc/97/14/58/393971458.db2.gz NTHHYNJMUQCSAW-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349966444 393974788 /nfs/dbraw/zinc/97/47/88/393974788.db2.gz MQADKSOVLOOWMS-INIZCTEOSA-N 1 1 289.379 2.572 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000266239392 393981125 /nfs/dbraw/zinc/98/11/25/393981125.db2.gz LAFDTUCSSLRYEM-VHSXEESVSA-N 1 1 298.774 2.562 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796119 393994395 /nfs/dbraw/zinc/99/43/95/393994395.db2.gz BWADZJAIIPDLGO-CJNGLKHVSA-N 1 1 289.379 2.824 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000125154383 394002435 /nfs/dbraw/zinc/00/24/35/394002435.db2.gz MWRGZYWKUNUXAC-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125755058 394012575 /nfs/dbraw/zinc/01/25/75/394012575.db2.gz RPZKWMXIJLKGBJ-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO CC(C)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000432777019 394012584 /nfs/dbraw/zinc/01/25/84/394012584.db2.gz SBNYQNBMTREKJZ-OAHLLOKOSA-N 1 1 278.352 2.576 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000126874666 394037901 /nfs/dbraw/zinc/03/79/01/394037901.db2.gz BWQIPLCIGTXPDX-UHFFFAOYSA-N 1 1 280.368 2.888 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438357408 394079540 /nfs/dbraw/zinc/07/95/40/394079540.db2.gz XDJRAYKRGRRQBQ-YNEHKIRRSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438357408 394079544 /nfs/dbraw/zinc/07/95/44/394079544.db2.gz XDJRAYKRGRRQBQ-YNEHKIRRSA-N 1 1 278.352 2.901 20 5 CFBDMO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000286011244 394179311 /nfs/dbraw/zinc/17/93/11/394179311.db2.gz FDNGOYJIIMUGCQ-NEPJUHHUSA-N 1 1 292.383 2.709 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282347661 394124256 /nfs/dbraw/zinc/12/42/56/394124256.db2.gz PBSAVEYTQFONRQ-DOMZBBRYSA-N 1 1 278.352 2.903 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCO1 ZINC000282521511 394124919 /nfs/dbraw/zinc/12/49/19/394124919.db2.gz UAADWAHERAZGSG-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421025216 394162687 /nfs/dbraw/zinc/16/26/87/394162687.db2.gz YEWWLVDPSZJHJN-CQSZACIVSA-N 1 1 292.379 2.622 20 5 CFBDMO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422842958 394256611 /nfs/dbraw/zinc/25/66/11/394256611.db2.gz ZWOZNQVDXAQHNC-DZGCQCFKSA-N 1 1 277.368 2.778 20 5 CFBDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291267367 394238619 /nfs/dbraw/zinc/23/86/19/394238619.db2.gz NOIRCDZRGSWBEK-NSHDSACASA-N 1 1 270.354 2.656 20 5 CFBDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291267367 394238623 /nfs/dbraw/zinc/23/86/23/394238623.db2.gz NOIRCDZRGSWBEK-NSHDSACASA-N 1 1 270.354 2.656 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC000539812699 394635022 /nfs/dbraw/zinc/63/50/22/394635022.db2.gz OXQDPFUPZQLHKD-UHFFFAOYSA-N 1 1 298.342 2.645 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(CO)cc1)C2 ZINC000539812699 394635026 /nfs/dbraw/zinc/63/50/26/394635026.db2.gz OXQDPFUPZQLHKD-UHFFFAOYSA-N 1 1 298.342 2.645 20 5 CFBDMO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000545397696 394793283 /nfs/dbraw/zinc/79/32/83/394793283.db2.gz TZMZWTCGXRCWIS-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000545397696 394793285 /nfs/dbraw/zinc/79/32/85/394793285.db2.gz TZMZWTCGXRCWIS-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000547769251 394888294 /nfs/dbraw/zinc/88/82/94/394888294.db2.gz VVBGKWGEBAOZSI-NHCYSSNCSA-N 1 1 291.351 2.713 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000547769252 394888309 /nfs/dbraw/zinc/88/83/09/394888309.db2.gz VVBGKWGEBAOZSI-UMNHJUIQSA-N 1 1 291.351 2.713 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000547769252 394888313 /nfs/dbraw/zinc/88/83/13/394888313.db2.gz VVBGKWGEBAOZSI-UMNHJUIQSA-N 1 1 291.351 2.713 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000547770569 394889483 /nfs/dbraw/zinc/88/94/83/394889483.db2.gz QZMDWPOIZMICGL-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547770569 394889485 /nfs/dbraw/zinc/88/94/85/394889485.db2.gz QZMDWPOIZMICGL-AOOOYVTPSA-N 1 1 250.298 2.586 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000555682902 394981655 /nfs/dbraw/zinc/98/16/55/394981655.db2.gz GLDHKUZZFBKBSE-NXEZZACHSA-N 1 1 250.298 2.586 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692005 397577177 /nfs/dbraw/zinc/57/71/77/397577177.db2.gz OWGOKCCMJHBSFG-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCC1 ZINC000348203850 154361650 /nfs/dbraw/zinc/36/16/50/154361650.db2.gz DQMCDEJGAITZJK-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959307 156127299 /nfs/dbraw/zinc/12/72/99/156127299.db2.gz XPMGBVXVJCSSRZ-NWDGAFQWSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC23CCOCC3)cc1 ZINC000363104921 156148576 /nfs/dbraw/zinc/14/85/76/156148576.db2.gz OUDBVRRKRNGAQS-UHFFFAOYSA-N 1 1 290.363 2.782 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000374906473 157171927 /nfs/dbraw/zinc/17/19/27/157171927.db2.gz AMDRULNSVFXMLD-DOMZBBRYSA-N 1 1 294.326 2.735 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345167172 162192703 /nfs/dbraw/zinc/19/27/03/162192703.db2.gz XRAXZEHCEHUAHQ-QWHCGFSZSA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346169355 162338693 /nfs/dbraw/zinc/33/86/93/162338693.db2.gz QFKKQBUUFLYBLM-QWHCGFSZSA-N 1 1 277.368 2.509 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000350361821 163073876 /nfs/dbraw/zinc/07/38/76/163073876.db2.gz WVJGCAFEUXAILJ-HNNXBMFYSA-N 1 1 278.352 2.760 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000350361821 163073878 /nfs/dbraw/zinc/07/38/78/163073878.db2.gz WVJGCAFEUXAILJ-HNNXBMFYSA-N 1 1 278.352 2.760 20 5 CFBDMO CC(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000020200973 171064775 /nfs/dbraw/zinc/06/47/75/171064775.db2.gz POHFPGDPSNMYFI-INIZCTEOSA-N 1 1 291.395 2.805 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000284753905 196125621 /nfs/dbraw/zinc/12/56/21/196125621.db2.gz LPVKBYODRSUPFP-LSDHHAIUSA-N 1 1 294.326 2.877 20 5 CFBDMO C[C@H](C[NH+]1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000035258930 172091223 /nfs/dbraw/zinc/09/12/23/172091223.db2.gz ORWZMGWJCGBHPA-CYBMUJFWSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC000285303362 196245856 /nfs/dbraw/zinc/24/58/56/196245856.db2.gz LKTLLFXUNIIUSM-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](C/C=C/Cl)CCc1ccccc1[N+](=O)[O-] ZINC000285361366 196260947 /nfs/dbraw/zinc/26/09/47/196260947.db2.gz QHZKKRZIMRNYPT-XBXARRHUSA-N 1 1 254.717 2.822 20 5 CFBDMO C[N@H+](C/C=C/Cl)CCc1ccccc1[N+](=O)[O-] ZINC000285361366 196260950 /nfs/dbraw/zinc/26/09/50/196260950.db2.gz QHZKKRZIMRNYPT-XBXARRHUSA-N 1 1 254.717 2.822 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444101 196285786 /nfs/dbraw/zinc/28/57/86/196285786.db2.gz XVSOKOOREUKKIJ-OCCSQVGLSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@H]1CC[C@@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444099 196285816 /nfs/dbraw/zinc/28/58/16/196285816.db2.gz XVSOKOOREUKKIJ-JSGCOSHPSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000285472320 196296612 /nfs/dbraw/zinc/29/66/12/196296612.db2.gz VDSHHZMJKCVWHD-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000285472320 196296614 /nfs/dbraw/zinc/29/66/14/196296614.db2.gz VDSHHZMJKCVWHD-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000037266261 173075574 /nfs/dbraw/zinc/07/55/74/173075574.db2.gz FOHXSLXJTWUOFK-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO CCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000037495427 173235212 /nfs/dbraw/zinc/23/52/12/173235212.db2.gz QAZUGERZHDYEKZ-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO Cc1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000038091457 174104575 /nfs/dbraw/zinc/10/45/75/174104575.db2.gz IJCMBJCMJITOJH-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000044411797 175171807 /nfs/dbraw/zinc/17/18/07/175171807.db2.gz CQWSLVPIZQTNMA-VIFPVBQESA-N 1 1 281.743 2.897 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000050015659 175506651 /nfs/dbraw/zinc/50/66/51/175506651.db2.gz LKQSGHQXWAXRPH-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO Cc1cccnc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000071339732 176129974 /nfs/dbraw/zinc/12/99/74/176129974.db2.gz ZJQAWWSBGFRIJS-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO C[N@@H+](CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000071377577 176142743 /nfs/dbraw/zinc/14/27/43/176142743.db2.gz LWCBTNJAQHRYDT-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000071954256 176304452 /nfs/dbraw/zinc/30/44/52/176304452.db2.gz MQKYDYQMJVQHQY-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO CCc1nc(NCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000286476611 196617090 /nfs/dbraw/zinc/61/70/90/196617090.db2.gz UGDXKOLWRUAZLA-UHFFFAOYSA-N 1 1 272.308 2.868 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)O ZINC000078727818 177377325 /nfs/dbraw/zinc/37/73/25/177377325.db2.gz CZFBPCHQILZIRG-UHFFFAOYSA-N 1 1 296.367 2.585 20 5 CFBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000525787193 262238492 /nfs/dbraw/zinc/23/84/92/262238492.db2.gz XVRVRLBTTQTJBG-TXEJJXNPSA-N 1 1 296.392 2.799 20 5 CFBDMO CCOc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226571728 270256842 /nfs/dbraw/zinc/25/68/42/270256842.db2.gz PAWSHNMACBBQQI-WCQYABFASA-N 1 1 293.367 2.888 20 5 CFBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000392908778 270306348 /nfs/dbraw/zinc/30/63/48/270306348.db2.gz XBASEOQMQQRZIY-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000396575126 270315106 /nfs/dbraw/zinc/31/51/06/270315106.db2.gz CERITAGTTZYFOW-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250745687 275033730 /nfs/dbraw/zinc/03/37/30/275033730.db2.gz ALWDUXLTXNAYHR-QWRGUYRKSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000047975373 275037123 /nfs/dbraw/zinc/03/71/23/275037123.db2.gz GIFVZAXMEHMKFA-ZIAGYGMSSA-N 1 1 261.325 2.634 20 5 CFBDMO CCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296364253 276025991 /nfs/dbraw/zinc/02/59/91/276025991.db2.gz SCHSTPQULFOVQP-OAHLLOKOSA-N 1 1 278.352 2.720 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000267207732 276073503 /nfs/dbraw/zinc/07/35/03/276073503.db2.gz GZAUKCTVIIKDPT-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266639946 276073543 /nfs/dbraw/zinc/07/35/43/276073543.db2.gz TUQDBZWNHYKNDL-KGLIPLIRSA-N 1 1 291.395 2.929 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359099103 276250896 /nfs/dbraw/zinc/25/08/96/276250896.db2.gz OAASGUOUEPYALT-OLZOCXBDSA-N 1 1 292.383 2.526 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000361260485 276394440 /nfs/dbraw/zinc/39/44/40/276394440.db2.gz DVLZJVGUINEHNP-QWHCGFSZSA-N 1 1 292.383 2.607 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268895850 277084484 /nfs/dbraw/zinc/08/44/84/277084484.db2.gz YUQLQHOSTIJYMU-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000364300885 277178346 /nfs/dbraw/zinc/17/83/46/277178346.db2.gz HCDQRWFVSWHULY-HZMBPMFUSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000347235509 278288830 /nfs/dbraw/zinc/28/88/30/278288830.db2.gz RYPHSNFLSIQREZ-JTQLQIEISA-N 1 1 284.381 2.782 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819231 278347101 /nfs/dbraw/zinc/34/71/01/278347101.db2.gz BBLFBEZZRZLULC-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819231 278347102 /nfs/dbraw/zinc/34/71/02/278347102.db2.gz BBLFBEZZRZLULC-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000222455737 278379446 /nfs/dbraw/zinc/37/94/46/278379446.db2.gz OKXHZSNRIBERSF-NXEZZACHSA-N 1 1 260.297 2.730 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000230378569 280169867 /nfs/dbraw/zinc/16/98/67/280169867.db2.gz GSKIGECJGDHKAB-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000230378569 280169869 /nfs/dbraw/zinc/16/98/69/280169869.db2.gz GSKIGECJGDHKAB-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000248700742 281031408 /nfs/dbraw/zinc/03/14/08/281031408.db2.gz ZNNUWSQFSWRITI-IUODEOHRSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000248700742 281031412 /nfs/dbraw/zinc/03/14/12/281031412.db2.gz ZNNUWSQFSWRITI-IUODEOHRSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C ZINC000249332874 281055718 /nfs/dbraw/zinc/05/57/18/281055718.db2.gz HRVBVIWEYASMOV-TZMCWYRMSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000252931537 281079220 /nfs/dbraw/zinc/07/92/20/281079220.db2.gz URPKXAWJUJUZHC-HUUCEWRRSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1cccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000114183411 281228661 /nfs/dbraw/zinc/22/86/61/281228661.db2.gz YYEPRBIUTDEIMZ-UHFFFAOYSA-N 1 1 298.346 2.625 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133465087 281260451 /nfs/dbraw/zinc/26/04/51/281260451.db2.gz KRDBYMZLGAHVQL-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000560452299 282027678 /nfs/dbraw/zinc/02/76/78/282027678.db2.gz TXWKWKBVDYHMHJ-VIFPVBQESA-N 1 1 292.364 2.914 20 5 CFBDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732569 290171836 /nfs/dbraw/zinc/17/18/36/290171836.db2.gz MNTYJYFEXRQMJQ-DOMZBBRYSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732569 290171837 /nfs/dbraw/zinc/17/18/37/290171837.db2.gz MNTYJYFEXRQMJQ-DOMZBBRYSA-N 1 1 291.395 2.900 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098377 290175624 /nfs/dbraw/zinc/17/56/24/290175624.db2.gz PXXXONTYMXEYDZ-WCQYABFASA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010347 290241239 /nfs/dbraw/zinc/24/12/39/290241239.db2.gz LIEISYWDCPUTLV-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292116393 290268117 /nfs/dbraw/zinc/26/81/17/290268117.db2.gz JQNRKQKADOMMCQ-CJNGLKHVSA-N 1 1 289.379 2.683 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC(CO)CC1 ZINC000565591889 290311721 /nfs/dbraw/zinc/31/17/21/290311721.db2.gz RRPKXTNZSHFAPT-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474187 290390641 /nfs/dbraw/zinc/39/06/41/290390641.db2.gz FPYQCQRQTWTXPF-HNNXBMFYSA-N 1 1 289.379 2.656 20 5 CFBDMO CC(C)c1ccc(CNCCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000566475333 290391108 /nfs/dbraw/zinc/39/11/08/290391108.db2.gz YCHLSZVOORPSBO-UHFFFAOYSA-N 1 1 291.395 2.904 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000584170797 325335508 /nfs/dbraw/zinc/33/55/08/325335508.db2.gz KHRDZQYQPJXHQN-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCOC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000584170797 325335511 /nfs/dbraw/zinc/33/55/11/325335511.db2.gz KHRDZQYQPJXHQN-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000223249549 521609598 /nfs/dbraw/zinc/60/95/98/521609598.db2.gz JWOGUCKDYVJFGI-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414886887 533900838 /nfs/dbraw/zinc/90/08/38/533900838.db2.gz QBHMHYQGAKGTQG-LLVKDONJSA-N 1 1 289.335 2.682 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234686 534095525 /nfs/dbraw/zinc/09/55/25/534095525.db2.gz AFVMSEXEGVUBPO-NILFDRSVSA-N 1 1 278.352 2.891 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000221680273 519619055 /nfs/dbraw/zinc/61/90/55/519619055.db2.gz DBZPJWDLUQOOBE-UHFFFAOYSA-N 1 1 269.320 2.876 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000054128271 519627152 /nfs/dbraw/zinc/62/71/52/519627152.db2.gz NGECMUVDRGLFBD-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156859224 521367078 /nfs/dbraw/zinc/36/70/78/521367078.db2.gz NCSKVHZOSFDYBE-CYBMUJFWSA-N 1 1 280.372 2.692 20 5 CFBDMO C[N@@H+](CCNc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000062010242 522869232 /nfs/dbraw/zinc/86/92/32/522869232.db2.gz GRINSCKQHPZUER-UHFFFAOYSA-N 1 1 269.732 2.754 20 5 CFBDMO CC[C@@H](N[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576676 522933374 /nfs/dbraw/zinc/93/33/74/522933374.db2.gz FXOVZXBZHRHKNK-BXUZGUMPSA-N 1 1 265.357 2.586 20 5 CFBDMO CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076073142 523280279 /nfs/dbraw/zinc/28/02/79/523280279.db2.gz XEVSQHAXJLWSCT-AWEZNQCLSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170916323 523922929 /nfs/dbraw/zinc/92/29/29/523922929.db2.gz RISVJOQYTYLFHD-NSHDSACASA-N 1 1 252.314 2.704 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000361372651 523997685 /nfs/dbraw/zinc/99/76/85/523997685.db2.gz POZXTXKDTJFDHE-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000361372651 523997687 /nfs/dbraw/zinc/99/76/87/523997687.db2.gz POZXTXKDTJFDHE-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295056960 524572449 /nfs/dbraw/zinc/57/24/49/524572449.db2.gz PZHNXGVOJXZJPH-GOOCMWNKSA-N 1 1 289.379 2.618 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C ZINC000174415832 525458269 /nfs/dbraw/zinc/45/82/69/525458269.db2.gz HQEYTNSBACTJNI-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1ccnc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360277545 525690111 /nfs/dbraw/zinc/69/01/11/525690111.db2.gz DBHCWPAMYKSZJR-BETUJISGSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919640 525729875 /nfs/dbraw/zinc/72/98/75/525729875.db2.gz CBWVAYOWGNJQNL-LSDHHAIUSA-N 1 1 289.379 2.620 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426473865 534886648 /nfs/dbraw/zinc/88/66/48/534886648.db2.gz RQBUKQJZVVIFKO-WFASDCNBSA-N 1 1 276.336 2.848 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134567 536475615 /nfs/dbraw/zinc/47/56/15/536475615.db2.gz PCAFIPUUGWFIAR-CHWSQXEVSA-N 1 1 295.408 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000366077686 527357938 /nfs/dbraw/zinc/35/79/38/527357938.db2.gz MJODNVRVPZTCAJ-JTQLQIEISA-N 1 1 290.298 2.920 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000360537096 527385909 /nfs/dbraw/zinc/38/59/09/527385909.db2.gz OHWHKAVXWPGLHG-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156405304 527400800 /nfs/dbraw/zinc/40/08/00/527400800.db2.gz JLZQRJYELCPPHW-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015557 527401222 /nfs/dbraw/zinc/40/12/22/527401222.db2.gz WQSBAEIHAJPPRX-UHFFFAOYSA-N 1 1 287.275 2.793 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770173 527979247 /nfs/dbraw/zinc/97/92/47/527979247.db2.gz UHMAEOMCLVIORX-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCN(CC)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770173 527979255 /nfs/dbraw/zinc/97/92/55/527979255.db2.gz UHMAEOMCLVIORX-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCNCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306028 528514917 /nfs/dbraw/zinc/51/49/17/528514917.db2.gz DFTMLAIECMQTNX-HNNXBMFYSA-N 1 1 291.395 2.505 20 5 CFBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000413008961 529005225 /nfs/dbraw/zinc/00/52/25/529005225.db2.gz ZRCRQUWHTKHNPH-CYBMUJFWSA-N 1 1 292.383 2.932 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727824847 574067273 /nfs/dbraw/zinc/06/72/73/574067273.db2.gz UJIWNPNIKPKFGN-LBPRGKRZSA-N 1 1 274.324 2.776 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049996 574132238 /nfs/dbraw/zinc/13/22/38/574132238.db2.gz ZYSQFEMSHPYTBJ-OLZOCXBDSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049996 574132241 /nfs/dbraw/zinc/13/22/41/574132241.db2.gz ZYSQFEMSHPYTBJ-OLZOCXBDSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755922758 574198476 /nfs/dbraw/zinc/19/84/76/574198476.db2.gz JFEGDIOQBJKDLW-LBPRGKRZSA-N 1 1 288.351 2.880 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000747576354 574201877 /nfs/dbraw/zinc/20/18/77/574201877.db2.gz RWGRMKDSJRASGT-CYBMUJFWSA-N 1 1 292.335 2.626 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000733301788 574219931 /nfs/dbraw/zinc/21/99/31/574219931.db2.gz BZTXVCGQIIWNFO-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881422 574272300 /nfs/dbraw/zinc/27/23/00/574272300.db2.gz BAAXAGXFLQERFM-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263959 617607708 /nfs/dbraw/zinc/60/77/08/617607708.db2.gz AQLIZVHVBJIWLS-SWLSCSKDSA-N 1 1 286.335 2.627 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000891871163 617795421 /nfs/dbraw/zinc/79/54/21/617795421.db2.gz ZBRGZIYUPGXFJN-UHFFFAOYSA-N 1 1 280.324 2.683 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892066275 617934031 /nfs/dbraw/zinc/93/40/31/617934031.db2.gz TUYKISXJSJGUBM-QWRGUYRKSA-N 1 1 294.351 2.787 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000892146534 617972313 /nfs/dbraw/zinc/97/23/13/617972313.db2.gz WDIMHXPSLFVYNO-LLVKDONJSA-N 1 1 292.335 2.541 20 5 CFBDMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000075820490 617988083 /nfs/dbraw/zinc/98/80/83/617988083.db2.gz UYJUXAYSXMVBOO-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892217280 618006123 /nfs/dbraw/zinc/00/61/23/618006123.db2.gz DHDPEQILOSFUCY-JTQLQIEISA-N 1 1 294.351 2.929 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000934766710 618125516 /nfs/dbraw/zinc/12/55/16/618125516.db2.gz JXHPRDYUEKQEHM-RISCZKNCSA-N 1 1 296.367 2.919 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000062351035 618376474 /nfs/dbraw/zinc/37/64/74/618376474.db2.gz GLEISPVGKYBEDS-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO COc1c(O)ccc(C[N@@H+]2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000894193625 618435620 /nfs/dbraw/zinc/43/56/20/618435620.db2.gz GABQWFGWLKOKGW-UHFFFAOYSA-N 1 1 292.335 2.851 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000894193625 618435624 /nfs/dbraw/zinc/43/56/24/618435624.db2.gz GABQWFGWLKOKGW-UHFFFAOYSA-N 1 1 292.335 2.851 20 5 CFBDMO CCC[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925790614 619115505 /nfs/dbraw/zinc/11/55/05/619115505.db2.gz JIOIYKRRIHDZER-IVMMDQJWSA-N 1 1 291.395 2.881 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925826414 619153636 /nfs/dbraw/zinc/15/36/36/619153636.db2.gz MKNFFIOTRSWFKC-DDTOSNHZSA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925826416 619153842 /nfs/dbraw/zinc/15/38/42/619153842.db2.gz MKNFFIOTRSWFKC-LERXQTSPSA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000925839286 619172366 /nfs/dbraw/zinc/17/23/66/619172366.db2.gz BRDRFNGPHDBJHB-DAXOMENPSA-N 1 1 289.379 2.778 20 5 CFBDMO Cc1ncoc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000894739128 619455293 /nfs/dbraw/zinc/45/52/93/619455293.db2.gz JCOOMWUFZZZOPL-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000895572118 619556717 /nfs/dbraw/zinc/55/67/17/619556717.db2.gz SKCSIEYESODLPI-UWVGGRQHSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)s1 ZINC000895572118 619556718 /nfs/dbraw/zinc/55/67/18/619556718.db2.gz SKCSIEYESODLPI-UWVGGRQHSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895565578 619559243 /nfs/dbraw/zinc/55/92/43/619559243.db2.gz ACXHJOHBQFEFBV-KOLCDFICSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895565578 619559246 /nfs/dbraw/zinc/55/92/46/619559246.db2.gz ACXHJOHBQFEFBV-KOLCDFICSA-N 1 1 299.421 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000895739219 619593695 /nfs/dbraw/zinc/59/36/95/619593695.db2.gz YAPPFXZPYLHMFF-PWSUYJOCSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000895738452 619597748 /nfs/dbraw/zinc/59/77/48/619597748.db2.gz LQQVUILFJZHJJO-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737644 619597817 /nfs/dbraw/zinc/59/78/17/619597817.db2.gz QKERWWCGTHVIMU-WCBMZHEXSA-N 1 1 299.758 2.761 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738277 619598135 /nfs/dbraw/zinc/59/81/35/619598135.db2.gz UKJPBPJHQJIYFK-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCF ZINC000895898046 619629811 /nfs/dbraw/zinc/62/98/11/619629811.db2.gz IWDLJIHMUGHDJL-DAXSKMNVSA-N 1 1 252.289 2.899 20 5 CFBDMO Cc1cnc(NCCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC000895988346 619649266 /nfs/dbraw/zinc/64/92/66/619649266.db2.gz RAZZQRIUCVQYLZ-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584986 619767447 /nfs/dbraw/zinc/76/74/47/619767447.db2.gz RHBZMXVTESKUEU-DIECRNLCSA-N 1 1 276.336 2.719 20 5 CFBDMO CNc1cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000896794142 619820295 /nfs/dbraw/zinc/82/02/95/619820295.db2.gz RFGZZKKKDYWKGZ-JTQLQIEISA-N 1 1 287.323 2.642 20 5 CFBDMO CNc1cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000896794142 619820302 /nfs/dbraw/zinc/82/03/02/619820302.db2.gz RFGZZKKKDYWKGZ-JTQLQIEISA-N 1 1 287.323 2.642 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000897062100 619923707 /nfs/dbraw/zinc/92/37/07/619923707.db2.gz OVZHCLNUAUCDBT-ZDUSSCGKSA-N 1 1 278.352 2.822 20 5 CFBDMO CO[C@H]1CC[C@@H]1N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000897142896 619939004 /nfs/dbraw/zinc/93/90/04/619939004.db2.gz VEZRWJUWFBLMJZ-GJZGRUSLSA-N 1 1 287.319 2.757 20 5 CFBDMO CCn1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000902576414 621128578 /nfs/dbraw/zinc/12/85/78/621128578.db2.gz SQJWKDKKSVENQW-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO COc1cc([C@H](C)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085473 621246861 /nfs/dbraw/zinc/24/68/61/621246861.db2.gz CYKXZBQRTLUNPV-LBPRGKRZSA-N 1 1 295.383 2.594 20 5 CFBDMO COc1cc([C@H](C)[NH2+]CCN(C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085473 621246866 /nfs/dbraw/zinc/24/68/66/621246866.db2.gz CYKXZBQRTLUNPV-LBPRGKRZSA-N 1 1 295.383 2.594 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287783 621318899 /nfs/dbraw/zinc/31/88/99/621318899.db2.gz PYEAFUUMGYGPRW-INWMFGNUSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287490 621319022 /nfs/dbraw/zinc/31/90/22/621319022.db2.gz PNXISQRMLOYJHQ-RISCZKNCSA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C[NH3+] ZINC000904411584 621592474 /nfs/dbraw/zinc/59/24/74/621592474.db2.gz NTKRBWHJMUWSJR-GHMZBOCLSA-N 1 1 297.786 2.665 20 5 CFBDMO COc1ccc(OCC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000906508604 621995086 /nfs/dbraw/zinc/99/50/86/621995086.db2.gz ZKWMSSGLKOMBQD-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000226818382 623090358 /nfs/dbraw/zinc/09/03/58/623090358.db2.gz XBCVHRMXTRQPEI-ZDUSSCGKSA-N 1 1 269.304 2.767 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249945 623272285 /nfs/dbraw/zinc/27/22/85/623272285.db2.gz NKYCNSBEHXHXQT-LSDHHAIUSA-N 1 1 296.342 2.859 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000827287321 623982161 /nfs/dbraw/zinc/98/21/61/623982161.db2.gz IPDQBHVNCNGOSN-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000090721329 624142466 /nfs/dbraw/zinc/14/24/66/624142466.db2.gz DFICFZBCWKSVLA-JQWIXIFHSA-N 1 1 297.786 2.821 20 5 CFBDMO C[N@H+](CCC1CCCCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000101539086 625719678 /nfs/dbraw/zinc/71/96/78/625719678.db2.gz BNZFNOSEYWWVTE-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO C[N@@H+](CCC1CCCCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000101539086 625719683 /nfs/dbraw/zinc/71/96/83/625719683.db2.gz BNZFNOSEYWWVTE-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO Cc1[nH]c(CSc2ccc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000917347843 624334764 /nfs/dbraw/zinc/33/47/64/624334764.db2.gz YSWQFBMXPVIPDK-UHFFFAOYSA-N 1 1 264.310 2.622 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000834835375 625893598 /nfs/dbraw/zinc/89/35/98/625893598.db2.gz IBGXIVMHROIHKE-RISCZKNCSA-N 1 1 286.335 2.895 20 5 CFBDMO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560839 626308861 /nfs/dbraw/zinc/30/88/61/626308861.db2.gz WNXIAQKQPUVEJA-WFASDCNBSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560839 626308866 /nfs/dbraw/zinc/30/88/66/626308866.db2.gz WNXIAQKQPUVEJA-WFASDCNBSA-N 1 1 291.395 2.900 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669355 626551644 /nfs/dbraw/zinc/55/16/44/626551644.db2.gz OVRVSJVCGLYOCC-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669355 626551645 /nfs/dbraw/zinc/55/16/45/626551645.db2.gz OVRVSJVCGLYOCC-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000758993790 626622558 /nfs/dbraw/zinc/62/25/58/626622558.db2.gz SJGICGCFBRZUNS-SNVBAGLBSA-N 1 1 280.372 2.734 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000758993790 626622560 /nfs/dbraw/zinc/62/25/60/626622560.db2.gz SJGICGCFBRZUNS-SNVBAGLBSA-N 1 1 280.372 2.734 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512905 626841323 /nfs/dbraw/zinc/84/13/23/626841323.db2.gz ZXSJDOWHFYXSLR-NSHDSACASA-N 1 1 284.743 2.717 20 5 CFBDMO C[NH+](C)C(C)(C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761514693 626841534 /nfs/dbraw/zinc/84/15/34/626841534.db2.gz GMNYEVHGWUBHEQ-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO Cc1nn(C[N@@H+](C)CC2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764901227 627105411 /nfs/dbraw/zinc/10/54/11/627105411.db2.gz YDVFLHZSJQGCNE-UHFFFAOYSA-N 1 1 274.324 2.552 20 5 CFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000767453195 627252590 /nfs/dbraw/zinc/25/25/90/627252590.db2.gz FUQWWYKOJCAIEQ-SNVBAGLBSA-N 1 1 292.364 2.774 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459422 627605632 /nfs/dbraw/zinc/60/56/32/627605632.db2.gz JYIMWWCIQBNBIR-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000774885186 627976621 /nfs/dbraw/zinc/97/66/21/627976621.db2.gz QCFPYSPGNCTFTI-CYBMUJFWSA-N 1 1 274.320 2.646 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000774903832 627978039 /nfs/dbraw/zinc/97/80/39/627978039.db2.gz NWDGUSNVLKTEQW-UHFFFAOYSA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579691 628160176 /nfs/dbraw/zinc/16/01/76/628160176.db2.gz NYCVVALYKNKHKS-MEDUHNTESA-N 1 1 290.363 2.891 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579690 628160666 /nfs/dbraw/zinc/16/06/66/628160666.db2.gz NYCVVALYKNKHKS-BZNIZROVSA-N 1 1 290.363 2.891 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000776582527 628161430 /nfs/dbraw/zinc/16/14/30/628161430.db2.gz VAPFYVIVXAZYCE-JKSUJKDBSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000776587104 628162458 /nfs/dbraw/zinc/16/24/58/628162458.db2.gz FCRMYSVARLLYHK-DAXOMENPSA-N 1 1 290.363 2.893 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500789 628469457 /nfs/dbraw/zinc/46/94/57/628469457.db2.gz YELXRBJJTLCYRN-ZDUSSCGKSA-N 1 1 280.372 2.734 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981955 628594926 /nfs/dbraw/zinc/59/49/26/628594926.db2.gz LZMMMDPLUJRYOK-HOCLYGCPSA-N 1 1 292.379 2.996 20 5 CFBDMO CC(C)CC(N)=[NH+]OCCOc1cccc([N+](=O)[O-])c1 ZINC000782321672 628628213 /nfs/dbraw/zinc/62/82/13/628628213.db2.gz PONZONGQTVVDGI-UHFFFAOYSA-N 1 1 281.312 2.518 20 5 CFBDMO Cc1cccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000784024211 628765109 /nfs/dbraw/zinc/76/51/09/628765109.db2.gz CYRWVNMLGLPVME-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000784024211 628765112 /nfs/dbraw/zinc/76/51/12/628765112.db2.gz CYRWVNMLGLPVME-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785546591 628892394 /nfs/dbraw/zinc/89/23/94/628892394.db2.gz QRVSWDGCIPEBPQ-HFAKWTLXSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534547 634772383 /nfs/dbraw/zinc/77/23/83/634772383.db2.gz MMLMWVONCUPTAW-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534547 634772386 /nfs/dbraw/zinc/77/23/86/634772386.db2.gz MMLMWVONCUPTAW-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534545 634773545 /nfs/dbraw/zinc/77/35/45/634773545.db2.gz MMLMWVONCUPTAW-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852534545 634773547 /nfs/dbraw/zinc/77/35/47/634773547.db2.gz MMLMWVONCUPTAW-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526829 630077428 /nfs/dbraw/zinc/07/74/28/630077428.db2.gz YMBDUPVMBUPQCF-IAQYHMDHSA-N 1 1 276.336 2.526 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965792 630266285 /nfs/dbraw/zinc/26/62/85/630266285.db2.gz ZOEKSIOUEHLXLD-CYBMUJFWSA-N 1 1 283.331 2.979 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800851064 630411172 /nfs/dbraw/zinc/41/11/72/630411172.db2.gz XBIZMOYWNQRBHW-TXEJJXNPSA-N 1 1 292.383 2.852 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1F ZINC000801542092 630455617 /nfs/dbraw/zinc/45/56/17/630455617.db2.gz OLHBSUBBGCYHHF-LBPRGKRZSA-N 1 1 296.323 2.619 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804451067 630682588 /nfs/dbraw/zinc/68/25/88/630682588.db2.gz WNSYKAZMQWSRHS-UHFFFAOYSA-N 1 1 293.367 2.941 20 5 CFBDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635230 631688894 /nfs/dbraw/zinc/68/88/94/631688894.db2.gz LAQSRGGXLBWQQO-JSGCOSHPSA-N 1 1 292.383 2.897 20 5 CFBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844405388 632197263 /nfs/dbraw/zinc/19/72/63/632197263.db2.gz XAXGZNIDXYZVPP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844405388 632197268 /nfs/dbraw/zinc/19/72/68/632197268.db2.gz XAXGZNIDXYZVPP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452842 632217858 /nfs/dbraw/zinc/21/78/58/632217858.db2.gz NYGZFEUAODVZDD-FXAINCCUSA-N 1 1 268.263 2.853 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452842 632217861 /nfs/dbraw/zinc/21/78/61/632217861.db2.gz NYGZFEUAODVZDD-FXAINCCUSA-N 1 1 268.263 2.853 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471953 632224120 /nfs/dbraw/zinc/22/41/20/632224120.db2.gz UNYOBVGCJXRXRY-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471953 632224123 /nfs/dbraw/zinc/22/41/23/632224123.db2.gz UNYOBVGCJXRXRY-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO C[C@H]1CCC[N@@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530852 633279098 /nfs/dbraw/zinc/27/90/98/633279098.db2.gz HLZSZWGITYFWFW-SWLSCSKDSA-N 1 1 289.379 2.656 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530852 633279101 /nfs/dbraw/zinc/27/91/01/633279101.db2.gz HLZSZWGITYFWFW-SWLSCSKDSA-N 1 1 289.379 2.656 20 5 CFBDMO CCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853489811 635015907 /nfs/dbraw/zinc/01/59/07/635015907.db2.gz INBYCACNVDRIOZ-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccns1 ZINC000860062248 636775422 /nfs/dbraw/zinc/77/54/22/636775422.db2.gz SFNVCAOTIPJSEQ-VIFPVBQESA-N 1 1 293.348 2.911 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000860127950 636794258 /nfs/dbraw/zinc/79/42/58/636794258.db2.gz FSFHKPSZBDECQC-CUOATXAZSA-N 1 1 296.754 2.593 20 5 CFBDMO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000159975460 650287142 /nfs/dbraw/zinc/28/71/42/650287142.db2.gz RJQRLHDIPGELKZ-RYUDHWBXSA-N 1 1 288.351 2.880 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000077446196 650425546 /nfs/dbraw/zinc/42/55/46/650425546.db2.gz PZVSWXJVNCHEOR-AWEZNQCLSA-N 1 1 278.356 2.794 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000866193990 638767370 /nfs/dbraw/zinc/76/73/70/638767370.db2.gz FSEPFJPNJSTDCD-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000866193990 638767372 /nfs/dbraw/zinc/76/73/72/638767372.db2.gz FSEPFJPNJSTDCD-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO Cc1nc(NC[C@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866195459 638767835 /nfs/dbraw/zinc/76/78/35/638767835.db2.gz VMVKFSJZZLVRGX-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1nc(NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866195459 638767836 /nfs/dbraw/zinc/76/78/36/638767836.db2.gz VMVKFSJZZLVRGX-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)C1 ZINC000872030813 641560861 /nfs/dbraw/zinc/56/08/61/641560861.db2.gz CPBUTQHVRZUHGU-QWRGUYRKSA-N 1 1 295.408 2.671 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)C1 ZINC000872030813 641560862 /nfs/dbraw/zinc/56/08/62/641560862.db2.gz CPBUTQHVRZUHGU-QWRGUYRKSA-N 1 1 295.408 2.671 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031065 641562476 /nfs/dbraw/zinc/56/24/76/641562476.db2.gz LUCNHYDHUKUKND-LLVKDONJSA-N 1 1 283.347 2.725 20 5 CFBDMO C[C@@H](NCC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035218 641567441 /nfs/dbraw/zinc/56/74/41/641567441.db2.gz UGCJOERRVAKKCE-LLVKDONJSA-N 1 1 295.358 2.726 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000872711827 641907974 /nfs/dbraw/zinc/90/79/74/641907974.db2.gz CXXMKAZRIOGXJG-BETUJISGSA-N 1 1 298.346 2.800 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872779611 641933451 /nfs/dbraw/zinc/93/34/51/641933451.db2.gz HFSWPQNVKDPZEN-CABCVRRESA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC1([NH+](C)C)CCC1 ZINC000873111506 642014929 /nfs/dbraw/zinc/01/49/29/642014929.db2.gz BUIHNACVJSJEKM-UHFFFAOYSA-N 1 1 291.395 2.786 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084440102 650774529 /nfs/dbraw/zinc/77/45/29/650774529.db2.gz PEEXFFGGYVTKCI-GFCCVEGCSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084440102 650774532 /nfs/dbraw/zinc/77/45/32/650774532.db2.gz PEEXFFGGYVTKCI-GFCCVEGCSA-N 1 1 295.770 2.575 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000877031103 643111319 /nfs/dbraw/zinc/11/13/19/643111319.db2.gz MQBKCJFTOAVOFF-CYBMUJFWSA-N 1 1 292.335 2.626 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561775 643361699 /nfs/dbraw/zinc/36/16/99/643361699.db2.gz QPTSKFWKFQUMPG-DZGCQCFKSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C(F)F)C1 ZINC000877580232 643376928 /nfs/dbraw/zinc/37/69/28/643376928.db2.gz IXEVRUZHNHTITL-UHFFFAOYSA-N 1 1 270.279 2.909 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000877630991 643415220 /nfs/dbraw/zinc/41/52/20/643415220.db2.gz MBULPJOUPBJDON-CZUORRHYSA-N 1 1 290.363 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1(CO)CCC1 ZINC000877641591 643425748 /nfs/dbraw/zinc/42/57/48/643425748.db2.gz AFONRJIHXXQMMN-UHFFFAOYSA-N 1 1 278.352 2.558 20 5 CFBDMO C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701266 643464100 /nfs/dbraw/zinc/46/41/00/643464100.db2.gz OVEUKEJKIYOBPG-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877739166 643504487 /nfs/dbraw/zinc/50/44/87/643504487.db2.gz RRKOYLYSMYNSAF-NEPJUHHUSA-N 1 1 296.367 2.919 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877752045 643529583 /nfs/dbraw/zinc/52/95/83/643529583.db2.gz LWHMQPAZFIMVLI-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877752045 643529588 /nfs/dbraw/zinc/52/95/88/643529588.db2.gz LWHMQPAZFIMVLI-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000090721323 650880633 /nfs/dbraw/zinc/88/06/33/650880633.db2.gz DFICFZBCWKSVLA-ZYHUDNBSSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246911989 650888901 /nfs/dbraw/zinc/88/89/01/650888901.db2.gz NUKRYMJFYIYMQJ-MNOVXSKESA-N 1 1 274.324 2.632 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000878916477 644074089 /nfs/dbraw/zinc/07/40/89/644074089.db2.gz MASFTXXLWUADII-UKRRQHHQSA-N 1 1 292.379 2.886 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318286 644222957 /nfs/dbraw/zinc/22/29/57/644222957.db2.gz SKGWNGFQCKAUQH-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879317873 644223420 /nfs/dbraw/zinc/22/34/20/644223420.db2.gz MUQCIZYWHKUVEU-SMDDNHRTSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879317873 644223424 /nfs/dbraw/zinc/22/34/24/644223424.db2.gz MUQCIZYWHKUVEU-SMDDNHRTSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879530656 644309145 /nfs/dbraw/zinc/30/91/45/644309145.db2.gz VUZIOXXBSDFDQP-LZWOXQAQSA-N 1 1 288.347 2.526 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000880185044 644568196 /nfs/dbraw/zinc/56/81/96/644568196.db2.gz CTVMXQMJFNNKAA-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880231308 644592225 /nfs/dbraw/zinc/59/22/25/644592225.db2.gz XXMRFQUUCLEUCX-NSHDSACASA-N 1 1 282.315 2.785 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774310 650963169 /nfs/dbraw/zinc/96/31/69/650963169.db2.gz UCMRCGXHGZFAQV-SECBINFHSA-N 1 1 252.289 2.964 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129043801 645003747 /nfs/dbraw/zinc/00/37/47/645003747.db2.gz OYFJOEREMURFAU-SNVBAGLBSA-N 1 1 297.330 2.793 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000129622074 645295070 /nfs/dbraw/zinc/29/50/70/645295070.db2.gz VONWIQLWMMTUGT-ZDUSSCGKSA-N 1 1 280.372 2.876 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000882959116 645528973 /nfs/dbraw/zinc/52/89/73/645528973.db2.gz VKABZEKOWXQHST-LBPRGKRZSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756210 645563709 /nfs/dbraw/zinc/56/37/09/645563709.db2.gz GDOLQHAEEVTEBM-RYUDHWBXSA-N 1 1 266.345 2.649 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000885965534 646787073 /nfs/dbraw/zinc/78/70/73/646787073.db2.gz PBRAHKFZVKRJPN-UHFFFAOYSA-N 1 1 283.331 2.589 20 5 CFBDMO C[C@@H](O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885987807 646797800 /nfs/dbraw/zinc/79/78/00/646797800.db2.gz BGNMKVBPQRMVBY-GFCCVEGCSA-N 1 1 293.367 2.505 20 5 CFBDMO CCCO[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886004260 646809338 /nfs/dbraw/zinc/80/93/38/646809338.db2.gz VYOTYXYWUFRWMC-AWEZNQCLSA-N 1 1 293.367 2.771 20 5 CFBDMO Cc1ccccc1CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886221251 646927925 /nfs/dbraw/zinc/92/79/25/646927925.db2.gz WEVMDKNBHXKLON-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246096 646991258 /nfs/dbraw/zinc/99/12/58/646991258.db2.gz YRVZHIFNDYPEPR-ZBFHGGJFSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246096 646991260 /nfs/dbraw/zinc/99/12/60/646991260.db2.gz YRVZHIFNDYPEPR-ZBFHGGJFSA-N 1 1 289.379 2.620 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832498 647156988 /nfs/dbraw/zinc/15/69/88/647156988.db2.gz JGFSCRSZZFYTCZ-ZBFHGGJFSA-N 1 1 290.363 2.638 20 5 CFBDMO C[C@@H](N)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000925631704 648251342 /nfs/dbraw/zinc/25/13/42/648251342.db2.gz WRUIRXFTHLNMKG-CXAGYDPISA-N 1 1 299.374 2.815 20 5 CFBDMO COC/C(C)=C/C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099242 649183954 /nfs/dbraw/zinc/18/39/54/649183954.db2.gz KBPQYUCZUJKQBK-WUXMJOGZSA-N 1 1 276.336 2.546 20 5 CFBDMO COC/C(C)=C/C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099242 649183958 /nfs/dbraw/zinc/18/39/58/649183958.db2.gz KBPQYUCZUJKQBK-WUXMJOGZSA-N 1 1 276.336 2.546 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000930219148 649208335 /nfs/dbraw/zinc/20/83/35/649208335.db2.gz GKIMAFMONXUFEF-MRXNPFEDSA-N 1 1 286.331 2.673 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000930449843 649250123 /nfs/dbraw/zinc/25/01/23/649250123.db2.gz GLQSWSIIENYTPQ-RRFJBIMHSA-N 1 1 260.337 2.531 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C)CC1 ZINC000932344935 649580957 /nfs/dbraw/zinc/58/09/57/649580957.db2.gz DNILZGRKXVWEKC-NWDGAFQWSA-N 1 1 264.325 2.767 20 5 CFBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932646173 649633956 /nfs/dbraw/zinc/63/39/56/649633956.db2.gz XFJNWSFRQFPUGY-NEPJUHHUSA-N 1 1 292.335 2.541 20 5 CFBDMO C[N@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331256 775159467 /nfs/dbraw/zinc/15/94/67/775159467.db2.gz NSPACVFPXOQHTB-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@H](OC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224816801 775281223 /nfs/dbraw/zinc/28/12/23/775281223.db2.gz AOEKTXYHSKKBBY-FZMZJTMJSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1cccc(O[C@@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001225630983 775532972 /nfs/dbraw/zinc/53/29/72/775532972.db2.gz BUQZBVVKXGCLTF-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1cccc(OC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001225631901 775533362 /nfs/dbraw/zinc/53/33/62/775533362.db2.gz GFWWRECLBXPPHQ-UHFFFAOYSA-N 1 1 264.325 2.765 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(F)c1[N+](=O)[O-] ZINC001225671266 775550557 /nfs/dbraw/zinc/55/05/57/775550557.db2.gz JIGRRQLZMSVUMG-HBYGRHMLSA-N 1 1 294.326 2.843 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000694707229 775552924 /nfs/dbraw/zinc/55/29/24/775552924.db2.gz NYIATBZRQCMCAP-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000694707229 775552927 /nfs/dbraw/zinc/55/29/27/775552927.db2.gz NYIATBZRQCMCAP-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001225683702 775556952 /nfs/dbraw/zinc/55/69/52/775556952.db2.gz VPCIDUZZPBWSDT-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785675 775592349 /nfs/dbraw/zinc/59/23/49/775592349.db2.gz KCRAMUFNKPFNPF-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785675 775592355 /nfs/dbraw/zinc/59/23/55/775592355.db2.gz KCRAMUFNKPFNPF-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226179406 775725680 /nfs/dbraw/zinc/72/56/80/775725680.db2.gz AKAQUNZLIGUNAP-SECBINFHSA-N 1 1 286.278 2.736 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001226191479 775733106 /nfs/dbraw/zinc/73/31/06/775733106.db2.gz NLVJKNXENYIILG-MYJAWHEDSA-N 1 1 298.289 2.877 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])ccc1F)C2 ZINC001226265448 775761872 /nfs/dbraw/zinc/76/18/72/775761872.db2.gz HHDUVTDBJLSTAR-PEGIJTEDSA-N 1 1 280.299 2.738 20 5 CFBDMO CC(=O)c1ccc(O[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226293016 775770167 /nfs/dbraw/zinc/77/01/67/775770167.db2.gz QUJBNFSFZNTCHR-ZDUSSCGKSA-N 1 1 292.335 2.659 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226766147 775954717 /nfs/dbraw/zinc/95/47/17/775954717.db2.gz ZTQIXKPQIAQGDG-YABSGUDNSA-N 1 1 262.309 2.599 20 5 CFBDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001226841052 775986963 /nfs/dbraw/zinc/98/69/63/775986963.db2.gz JBPZEVFHIYRCIE-UHFFFAOYSA-N 1 1 264.325 2.765 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233713 776148568 /nfs/dbraw/zinc/14/85/68/776148568.db2.gz FLAJTGQSERSNLB-NSHDSACASA-N 1 1 291.307 2.598 20 5 CFBDMO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262592 776162606 /nfs/dbraw/zinc/16/26/06/776162606.db2.gz TUKZETAIRKNKGB-VIFPVBQESA-N 1 1 268.768 2.690 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228003369 776357189 /nfs/dbraw/zinc/35/71/89/776357189.db2.gz WNLMGWKLVFLUGT-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC001167786108 776390323 /nfs/dbraw/zinc/39/03/23/776390323.db2.gz LAUXWFYKTUWKPL-UHFFFAOYSA-N 1 1 293.714 2.541 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001228839014 776629159 /nfs/dbraw/zinc/62/91/59/776629159.db2.gz RRFKTOIFVFRFON-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934841 776661329 /nfs/dbraw/zinc/66/13/29/776661329.db2.gz WBJDFSZHPRPJES-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO CC(C)(C)OC(=O)c1ccc(NC=[NH2+])cc1[N+](=O)[O-] ZINC001167869644 776689016 /nfs/dbraw/zinc/68/90/16/776689016.db2.gz YVRUEUJSITZLKB-UHFFFAOYSA-N 1 1 265.269 2.569 20 5 CFBDMO O=[N+]([O-])/C=C/c1ccc(OC2CC[NH+](CCF)CC2)cc1 ZINC001229114912 776722750 /nfs/dbraw/zinc/72/27/50/776722750.db2.gz MQSZWWLUFOSLQA-VZUCSPMQSA-N 1 1 294.326 2.747 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)cc1F ZINC001229894507 776912943 /nfs/dbraw/zinc/91/29/43/776912943.db2.gz JMJYBHUORGXELL-NSHDSACASA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229894887 776913010 /nfs/dbraw/zinc/91/30/10/776913010.db2.gz LTUJJDIZDJHJEO-JTQLQIEISA-N 1 1 268.288 2.515 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229895705 776913049 /nfs/dbraw/zinc/91/30/49/776913049.db2.gz VIFUJBXQBWIJJK-NSHDSACASA-N 1 1 282.315 2.905 20 5 CFBDMO O=[N+]([O-])c1cc(O[C@H]2CCc3[nH+]ccn3C2)ccc1Cl ZINC001229964828 776926152 /nfs/dbraw/zinc/92/61/52/776926152.db2.gz WDLYTYFXNIEDLC-JTQLQIEISA-N 1 1 293.710 2.839 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225908162 777332667 /nfs/dbraw/zinc/33/26/67/777332667.db2.gz YKANCLGXKJPNPA-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(COC4)C3)nc12 ZINC001232219523 777479070 /nfs/dbraw/zinc/47/90/70/777479070.db2.gz SUGIYMFFULBONR-UHFFFAOYSA-N 1 1 291.354 2.615 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000721804636 777584985 /nfs/dbraw/zinc/58/49/85/777584985.db2.gz PODRNYNCYBFQEP-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018203 777997712 /nfs/dbraw/zinc/99/77/12/777997712.db2.gz XENXMHLKPBIVGB-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cc(F)cc1[N+](=O)[O-])C2 ZINC001233695138 778042990 /nfs/dbraw/zinc/04/29/90/778042990.db2.gz JLRBAUOJENQIEK-URLYPYJESA-N 1 1 298.289 2.877 20 5 CFBDMO Cc1cc(F)c(O[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001234056529 778155460 /nfs/dbraw/zinc/15/54/60/778155460.db2.gz KGICYWCWGJUWRZ-SNVBAGLBSA-N 1 1 268.288 2.515 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764350 779083328 /nfs/dbraw/zinc/08/33/28/779083328.db2.gz CFNCHEYFANAJAZ-SECBINFHSA-N 1 1 286.278 2.735 20 5 CFBDMO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000691360455 780353115 /nfs/dbraw/zinc/35/31/15/780353115.db2.gz RYTBNCFBHXDWJE-JTQLQIEISA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000700379462 780683566 /nfs/dbraw/zinc/68/35/66/780683566.db2.gz WPYANCQKMZRRPS-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000700379462 780683569 /nfs/dbraw/zinc/68/35/69/780683569.db2.gz WPYANCQKMZRRPS-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO CN(CCCCCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000710752234 781336917 /nfs/dbraw/zinc/33/69/17/781336917.db2.gz XTHITBCKJCXUHP-UHFFFAOYSA-N 1 1 271.386 2.607 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)c(F)c1 ZINC000711475566 781442174 /nfs/dbraw/zinc/44/21/74/781442174.db2.gz JHCVIPMCCKETBJ-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594597068 349456283 /nfs/dbraw/zinc/45/62/83/349456283.db2.gz CESJRXTZWVYGDW-QWHCGFSZSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1ccnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594604392 349460128 /nfs/dbraw/zinc/46/01/28/349460128.db2.gz YWDKTSXETDBCHB-OLZOCXBDSA-N 1 1 290.367 2.727 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594614383 349464137 /nfs/dbraw/zinc/46/41/37/349464137.db2.gz GKPVKXLNIGUZGG-RPHSKFLZSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124508850 187140911 /nfs/dbraw/zinc/14/09/11/187140911.db2.gz FBMGVGYJNMMMSJ-SMDDNHRTSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594934793 349517536 /nfs/dbraw/zinc/51/75/36/349517536.db2.gz LJMLVHIDCUOLOV-LLVKDONJSA-N 1 1 286.335 2.588 20 5 CFBDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125312971 187178701 /nfs/dbraw/zinc/17/87/01/187178701.db2.gz QQFOFQPWNLPXBF-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595317845 349601200 /nfs/dbraw/zinc/60/12/00/349601200.db2.gz FQLTYCSWWXYQTJ-LLVKDONJSA-N 1 1 267.329 2.902 20 5 CFBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326418 349602625 /nfs/dbraw/zinc/60/26/25/349602625.db2.gz CERJDULBPPLUSN-NWDGAFQWSA-N 1 1 297.355 2.527 20 5 CFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326418 349602627 /nfs/dbraw/zinc/60/26/27/349602627.db2.gz CERJDULBPPLUSN-NWDGAFQWSA-N 1 1 297.355 2.527 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595341273 349605061 /nfs/dbraw/zinc/60/50/61/349605061.db2.gz GHQQBMIZMPHBMI-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO COCC[C@H]1CCCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595442445 349627884 /nfs/dbraw/zinc/62/78/84/349627884.db2.gz RODNQHXNOFVUDX-GFCCVEGCSA-N 1 1 297.355 2.530 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000595475610 349637616 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O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2(CO)CCC2)cs1 ZINC000595541725 349654543 /nfs/dbraw/zinc/65/45/43/349654543.db2.gz VBLASAQDIXJCAA-UHFFFAOYSA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2(CO)CCC2)cs1 ZINC000595541725 349654545 /nfs/dbraw/zinc/65/45/45/349654545.db2.gz VBLASAQDIXJCAA-UHFFFAOYSA-N 1 1 282.365 2.536 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704819 349711434 /nfs/dbraw/zinc/71/14/34/349711434.db2.gz WAEWALDVOFULDK-XJKSGUPXSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756940 349725362 /nfs/dbraw/zinc/72/53/62/349725362.db2.gz HUWJVQHHSYIPIT-OSAQELSMSA-N 1 1 276.336 2.624 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595876264 349759715 /nfs/dbraw/zinc/75/97/15/349759715.db2.gz RHPBLEWXZYNQII-LALPHHSUSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595889205 349761515 /nfs/dbraw/zinc/76/15/15/349761515.db2.gz ROGATJQUBJQIMZ-UHFFFAOYSA-N 1 1 264.350 2.700 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595868321 349757445 /nfs/dbraw/zinc/75/74/45/349757445.db2.gz AVVLSAJVEJVFEX-JMSVASOKSA-N 1 1 278.352 2.606 20 5 CFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697718 346936326 /nfs/dbraw/zinc/93/63/26/346936326.db2.gz AFWKYNZOQIKRMK-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1cc(CO)cc(N[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000596184025 349819890 /nfs/dbraw/zinc/81/98/90/349819890.db2.gz DGNLCXWRGXUZNJ-LLVKDONJSA-N 1 1 287.319 2.964 20 5 CFBDMO Cc1cc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])s1 ZINC000596226027 349833074 /nfs/dbraw/zinc/83/30/74/349833074.db2.gz TUFAMVVXBWOOFM-UHFFFAOYSA-N 1 1 267.354 2.639 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])s1 ZINC000596226027 349833077 /nfs/dbraw/zinc/83/30/77/349833077.db2.gz TUFAMVVXBWOOFM-UHFFFAOYSA-N 1 1 267.354 2.639 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000596268848 349847921 /nfs/dbraw/zinc/84/79/21/349847921.db2.gz LGMZYPWIYTXFAY-CYBMUJFWSA-N 1 1 277.368 2.824 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000596307376 349857795 /nfs/dbraw/zinc/85/77/95/349857795.db2.gz LNISFADRROTOMZ-SECBINFHSA-N 1 1 298.774 2.928 20 5 CFBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740674 347029680 /nfs/dbraw/zinc/02/96/80/347029680.db2.gz PDOJWFNMXPLAGO-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000295089340 199340353 /nfs/dbraw/zinc/34/03/53/199340353.db2.gz FDWJLYSLBSUBJN-NSHDSACASA-N 1 1 296.367 2.585 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CF)CC2)cs1 ZINC000295101405 199344640 /nfs/dbraw/zinc/34/46/40/199344640.db2.gz SUTXSRJCQXVDMS-UHFFFAOYSA-N 1 1 258.318 2.838 20 5 CFBDMO Cc1nccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038037529 346336977 /nfs/dbraw/zinc/33/69/77/346336977.db2.gz KSQCTTIOXKNAGB-JTQLQIEISA-N 1 1 272.308 2.544 20 5 CFBDMO CCCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000046602777 346430487 /nfs/dbraw/zinc/43/04/87/346430487.db2.gz SAYKKCUEVSHZCZ-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO CCCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502205 346428640 /nfs/dbraw/zinc/42/86/40/346428640.db2.gz NMDHUPLLTUGOJX-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051228271 346501600 /nfs/dbraw/zinc/50/16/00/346501600.db2.gz YQEJHHQQTRHYHZ-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)C ZINC000065962723 346745439 /nfs/dbraw/zinc/74/54/39/346745439.db2.gz LHSJBGZQHBCLGB-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000076751506 347151364 /nfs/dbraw/zinc/15/13/64/347151364.db2.gz JLDKSDQZSWPPNC-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076800464 347155142 /nfs/dbraw/zinc/15/51/42/347155142.db2.gz FXUYLHJNESVCFW-BETUJISGSA-N 1 1 292.383 2.770 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000076871931 347158115 /nfs/dbraw/zinc/15/81/15/347158115.db2.gz MPLOQXKAKNLLSG-UHFFFAOYSA-N 1 1 292.383 2.546 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000078526988 347259836 /nfs/dbraw/zinc/25/98/36/347259836.db2.gz IIJOEZCVZJFWRL-CQSZACIVSA-N 1 1 290.367 2.666 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078662178 347268390 /nfs/dbraw/zinc/26/83/90/347268390.db2.gz JNQDHZMHCMSERW-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC23CCC3)c1 ZINC000081545553 347425125 /nfs/dbraw/zinc/42/51/25/347425125.db2.gz IVNXWEDTJXFANA-UHFFFAOYSA-N 1 1 262.309 2.602 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482469 347676065 /nfs/dbraw/zinc/67/60/65/347676065.db2.gz 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ZINC000293206732 348361997 /nfs/dbraw/zinc/36/19/97/348361997.db2.gz RAMXAAWSNNJLFS-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311515225 348412836 /nfs/dbraw/zinc/41/28/36/348412836.db2.gz CZUFQQNRFDJYQS-UHFFFAOYSA-N 1 1 286.763 2.785 20 5 CFBDMO Cn1c[nH+]cc1CCSc1cccc([N+](=O)[O-])c1 ZINC000413008912 233001463 /nfs/dbraw/zinc/00/14/63/233001463.db2.gz ZLVFNMPVCMWIHN-UHFFFAOYSA-N 1 1 263.322 2.663 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413044830 233010579 /nfs/dbraw/zinc/01/05/79/233010579.db2.gz XNAKPNYTFDMPIW-NSHDSACASA-N 1 1 296.346 2.805 20 5 CFBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000413068990 233014333 /nfs/dbraw/zinc/01/43/33/233014333.db2.gz HBHGVRLDAFBAIJ-LBPRGKRZSA-N 1 1 298.346 2.792 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589608867 348843004 /nfs/dbraw/zinc/84/30/04/348843004.db2.gz DGHXSLSVRGMONO-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CCC2)C1 ZINC000589877301 348862685 /nfs/dbraw/zinc/86/26/85/348862685.db2.gz HJEWMRLXTYEMRY-NSHDSACASA-N 1 1 295.408 2.967 20 5 CFBDMO O=C1CCC(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000590709262 348932291 /nfs/dbraw/zinc/93/22/91/348932291.db2.gz CMJVPDHMOPWZBY-UHFFFAOYSA-N 1 1 288.347 2.712 20 5 CFBDMO Cc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000590968945 348974587 /nfs/dbraw/zinc/97/45/87/348974587.db2.gz VBANPNSLKDJGGX-UHFFFAOYSA-N 1 1 276.336 2.516 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000590970293 348974818 /nfs/dbraw/zinc/97/48/18/348974818.db2.gz IBIHHTLPXZSPFU-HUUCEWRRSA-N 1 1 288.347 2.596 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2sccc2[N+](=O)[O-])C1 ZINC000591179122 348997042 /nfs/dbraw/zinc/99/70/42/348997042.db2.gz RHOGJSSACWHTMH-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC12CCCC2 ZINC000593038275 349191170 /nfs/dbraw/zinc/19/11/70/349191170.db2.gz 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CFBDMO C[N@H+]1CCCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000599141142 350383556 /nfs/dbraw/zinc/38/35/56/350383556.db2.gz ZOYRYUHGGBBVRB-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655151 350473802 /nfs/dbraw/zinc/47/38/02/350473802.db2.gz JDWTUYZNQJQPGD-SGMGOOAPSA-N 1 1 278.352 2.667 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107686510 186185428 /nfs/dbraw/zinc/18/54/28/186185428.db2.gz AKSWICUWFVMILF-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107686510 186185430 /nfs/dbraw/zinc/18/54/30/186185430.db2.gz AKSWICUWFVMILF-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@H+]1CC[C@H](CSCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000600569261 350572421 /nfs/dbraw/zinc/57/24/21/350572421.db2.gz NJRWYNZFTRXOHV-LBPRGKRZSA-N 1 1 296.392 2.659 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C1CC1 ZINC000600615152 350581118 /nfs/dbraw/zinc/58/11/18/350581118.db2.gz 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/nfs/dbraw/zinc/09/25/65/351092565.db2.gz ZPPOUWNSSCRBSS-OAHLLOKOSA-N 1 1 292.383 2.836 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000604433467 351212137 /nfs/dbraw/zinc/21/21/37/351212137.db2.gz IRSLIVYMQMJLAA-JTQLQIEISA-N 1 1 269.370 2.943 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000608982589 351482851 /nfs/dbraw/zinc/48/28/51/351482851.db2.gz UWXHHZLXJQTUAF-UHFFFAOYSA-N 1 1 282.303 2.761 20 5 CFBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000610002057 351530576 /nfs/dbraw/zinc/53/05/76/351530576.db2.gz ZKVCYGJUJVFQNC-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@H]21 ZINC000610808063 351610695 /nfs/dbraw/zinc/61/06/95/351610695.db2.gz ZRIWBYQBINEWAN-WDEREUQCSA-N 1 1 281.381 2.577 20 5 CFBDMO CC[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611271133 351661321 /nfs/dbraw/zinc/66/13/21/351661321.db2.gz JCQKSBFIIQNGPG-OWNNVSBGSA-N 1 1 289.379 2.634 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000611080241 351638432 /nfs/dbraw/zinc/63/84/32/351638432.db2.gz OHZNLHJPWDRAID-UHFFFAOYSA-N 1 1 250.273 2.529 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092283 351640200 /nfs/dbraw/zinc/64/02/00/351640200.db2.gz NLQNSYYMNVEDEE-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000611133214 351643427 /nfs/dbraw/zinc/64/34/27/351643427.db2.gz PKEBQFGMRUYQEK-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000611133214 351643430 /nfs/dbraw/zinc/64/34/30/351643430.db2.gz PKEBQFGMRUYQEK-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000611133198 351643698 /nfs/dbraw/zinc/64/36/98/351643698.db2.gz FQDZFRIGLQTTAJ-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO CC1=CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611272162 351662119 /nfs/dbraw/zinc/66/21/19/351662119.db2.gz NRXZMKQJBZQBKU-UHFFFAOYSA-N 1 1 290.319 2.518 20 5 CFBDMO CC1=CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611272162 351662121 /nfs/dbraw/zinc/66/21/21/351662121.db2.gz NRXZMKQJBZQBKU-UHFFFAOYSA-N 1 1 290.319 2.518 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179471 351648327 /nfs/dbraw/zinc/64/83/27/351648327.db2.gz CUPBVWXZLFIZGP-SECBINFHSA-N 1 1 286.278 2.690 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179471 351648329 /nfs/dbraw/zinc/64/83/29/351648329.db2.gz CUPBVWXZLFIZGP-SECBINFHSA-N 1 1 286.278 2.690 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc1 ZINC000611191705 351651026 /nfs/dbraw/zinc/65/10/26/351651026.db2.gz HSMLUVSYNZTOPR-GFCCVEGCSA-N 1 1 290.367 2.809 20 5 CFBDMO CCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254433 351658575 /nfs/dbraw/zinc/65/85/75/351658575.db2.gz WJVGNBDSFWGKPB-UHFFFAOYSA-N 1 1 292.335 2.740 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412734 351686029 /nfs/dbraw/zinc/68/60/29/351686029.db2.gz HYNYSCIWQYRGFE-GFCCVEGCSA-N 1 1 295.408 2.824 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611501555 351697988 /nfs/dbraw/zinc/69/79/88/351697988.db2.gz FFOXSTHVHCWNFF-BXUZGUMPSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611501555 351697990 /nfs/dbraw/zinc/69/79/90/351697990.db2.gz FFOXSTHVHCWNFF-BXUZGUMPSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501461 351698277 /nfs/dbraw/zinc/69/82/77/351698277.db2.gz CDMASHCWGSSWEQ-MFKMUULPSA-N 1 1 252.289 2.775 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501461 351698281 /nfs/dbraw/zinc/69/82/81/351698281.db2.gz CDMASHCWGSSWEQ-MFKMUULPSA-N 1 1 252.289 2.775 20 5 CFBDMO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501752 351699634 /nfs/dbraw/zinc/69/96/34/351699634.db2.gz HYXXWOSYLOMQSJ-FZMZJTMJSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501752 351699637 /nfs/dbraw/zinc/69/96/37/351699637.db2.gz HYXXWOSYLOMQSJ-FZMZJTMJSA-N 1 1 282.315 2.654 20 5 CFBDMO CC[N@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611516708 351702539 /nfs/dbraw/zinc/70/25/39/351702539.db2.gz DENTZBZECLWCBZ-KGLIPLIRSA-N 1 1 291.395 2.990 20 5 CFBDMO CCOc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611298466 351665138 /nfs/dbraw/zinc/66/51/38/351665138.db2.gz VGSQHWTXCOODAX-NEPJUHHUSA-N 1 1 293.367 2.522 20 5 CFBDMO Cc1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000291712466 198067957 /nfs/dbraw/zinc/06/79/57/198067957.db2.gz LOPPMVGVUJOFFU-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611943560 351754431 /nfs/dbraw/zinc/75/44/31/351754431.db2.gz NYCNNIKORVPEQE-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1cncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000122932894 187060531 /nfs/dbraw/zinc/06/05/31/187060531.db2.gz SOQNFSDADCPQSD-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122957404 187062249 /nfs/dbraw/zinc/06/22/49/187062249.db2.gz QUBXXHDBVOQDLY-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000614776594 352119953 /nfs/dbraw/zinc/11/99/53/352119953.db2.gz AGYGTNHWJHKKIW-MRXNPFEDSA-N 1 1 289.379 2.653 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cocn1 ZINC000615723999 352236157 /nfs/dbraw/zinc/23/61/57/352236157.db2.gz FTTGRLBAZOCSEZ-WZUFQYTHSA-N 1 1 273.292 2.776 20 5 CFBDMO C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])s2)CCCO1 ZINC000617843271 352656562 /nfs/dbraw/zinc/65/65/62/352656562.db2.gz UZFWOUBNNLPERD-NSHDSACASA-N 1 1 299.396 2.569 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292223294 198208175 /nfs/dbraw/zinc/20/81/75/198208175.db2.gz VCAGBJAGRMBNFI-HNNXBMFYSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1noc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785268 353066831 /nfs/dbraw/zinc/06/68/31/353066831.db2.gz YGQIMVULPFNSAA-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1noc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785268 353066833 /nfs/dbraw/zinc/06/68/33/353066833.db2.gz YGQIMVULPFNSAA-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000154135483 188125376 /nfs/dbraw/zinc/12/53/76/188125376.db2.gz HUFHHFQNJLRHSW-INIZCTEOSA-N 1 1 284.315 2.644 20 5 CFBDMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155820178 188229650 /nfs/dbraw/zinc/22/96/50/188229650.db2.gz ARXMLUBFGDQHPT-XEZPLFJOSA-N 1 1 291.395 2.974 20 5 CFBDMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155820178 188229651 /nfs/dbraw/zinc/22/96/51/188229651.db2.gz ARXMLUBFGDQHPT-XEZPLFJOSA-N 1 1 291.395 2.974 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1C ZINC000157653215 188331183 /nfs/dbraw/zinc/33/11/83/188331183.db2.gz KVKIRHMCKJAVLD-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157716515 188334322 /nfs/dbraw/zinc/33/43/22/188334322.db2.gz RFTXSVBWVGEHMU-NSHDSACASA-N 1 1 292.314 2.623 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c(F)c1 ZINC000292705993 198382645 /nfs/dbraw/zinc/38/26/45/198382645.db2.gz LFUZTGFAVMQFMS-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO CC[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000158667135 188387811 /nfs/dbraw/zinc/38/78/11/188387811.db2.gz AYLNMJIIJMOCMB-UHFFFAOYSA-N 1 1 290.319 2.669 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388283 /nfs/dbraw/zinc/38/82/83/188388283.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 1 1 289.379 2.511 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000294702818 199142438 /nfs/dbraw/zinc/14/24/38/199142438.db2.gz DBFNZZVHOXUMMH-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422560814 237104558 /nfs/dbraw/zinc/10/45/58/237104558.db2.gz HRQFFFYSXGTTAC-LNSITVRQSA-N 1 1 291.395 2.708 20 5 CFBDMO CCC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296879838 200024073 /nfs/dbraw/zinc/02/40/73/200024073.db2.gz WVDOQZDZUWNETQ-OAHLLOKOSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1c([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423221840 238286570 /nfs/dbraw/zinc/28/65/70/238286570.db2.gz YJRCWXQZIJTSAT-MELADBBJSA-N 1 1 291.395 2.942 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCn1cccn1 ZINC000182779183 189334839 /nfs/dbraw/zinc/33/48/39/189334839.db2.gz QTBJUNNXWGNZFM-ZDUSSCGKSA-N 1 1 288.351 2.793 20 5 CFBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3ccsc32)c1 ZINC000301693704 201141440 /nfs/dbraw/zinc/14/14/40/201141440.db2.gz ABACKQSDOQHCIM-UHFFFAOYSA-N 1 1 289.320 2.513 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183363304 189356464 /nfs/dbraw/zinc/35/64/64/189356464.db2.gz VIIJWJBBHOOQHK-ZBFHGGJFSA-N 1 1 289.379 2.572 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301733652 201165057 /nfs/dbraw/zinc/16/50/57/201165057.db2.gz GCCJKEWIQMABAG-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433321505 240144771 /nfs/dbraw/zinc/14/47/71/240144771.db2.gz XXNPZCXFDUESNP-UHFFFAOYSA-N 1 1 298.302 2.868 20 5 CFBDMO Cc1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433810458 240178867 /nfs/dbraw/zinc/17/88/67/240178867.db2.gz KAKPTKANVCCZQK-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000275486266 193055730 /nfs/dbraw/zinc/05/57/30/193055730.db2.gz OYKPGZBBWXOWJI-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000275486266 193055732 /nfs/dbraw/zinc/05/57/32/193055732.db2.gz OYKPGZBBWXOWJI-CYBMUJFWSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330922 241053057 /nfs/dbraw/zinc/05/30/57/241053057.db2.gz USPMPWQFYMKBPR-HFAKWTLXSA-N 1 1 296.342 2.715 20 5 CFBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444593913 241152430 /nfs/dbraw/zinc/15/24/30/241152430.db2.gz LFCLSNLACAIDGV-UHFFFAOYSA-N 1 1 262.313 2.701 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444642046 241158351 /nfs/dbraw/zinc/15/83/51/241158351.db2.gz QHKQXDUUWVNEDW-SNVBAGLBSA-N 1 1 274.324 2.703 20 5 CFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000444648414 241160634 /nfs/dbraw/zinc/16/06/34/241160634.db2.gz JOVHMOZUBJAQRV-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000446730393 241320210 /nfs/dbraw/zinc/32/02/10/241320210.db2.gz VNYMXKURUZNUNN-CYBMUJFWSA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449549745 242018632 /nfs/dbraw/zinc/01/86/32/242018632.db2.gz AFPKPKGCHQDKAY-NFAWXSAZSA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c(Cl)c1 ZINC000449793862 242171974 /nfs/dbraw/zinc/17/19/74/242171974.db2.gz YLSNBCTXLIHINZ-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO CCOCCOCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276228319 193250211 /nfs/dbraw/zinc/25/02/11/193250211.db2.gz JZWFRRLPWFTNTC-ZDUSSCGKSA-N 1 1 296.367 2.641 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459746809 245301369 /nfs/dbraw/zinc/30/13/69/245301369.db2.gz VHJYKFRETBRSMV-UHFFFAOYSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459777813 245320977 /nfs/dbraw/zinc/32/09/77/245320977.db2.gz YPTMMRJLVLCMLO-UARNIUSMSA-N 1 1 276.361 2.798 20 5 CFBDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030141982 372391207 /nfs/dbraw/zinc/39/12/07/372391207.db2.gz KDCQSHWDFAEZPL-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030141982 372391211 /nfs/dbraw/zinc/39/12/11/372391211.db2.gz KDCQSHWDFAEZPL-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644220 372681689 /nfs/dbraw/zinc/68/16/89/372681689.db2.gz ADUDLOGLTKLQOT-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644220 372681695 /nfs/dbraw/zinc/68/16/95/372681695.db2.gz ADUDLOGLTKLQOT-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649784 372686695 /nfs/dbraw/zinc/68/66/95/372686695.db2.gz UTUCNIABPYFHTA-GFCCVEGCSA-N 1 1 275.352 2.799 20 5 CFBDMO COc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037650291 372687228 /nfs/dbraw/zinc/68/72/28/372687228.db2.gz GMJOXKAGKBTOES-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000046598895 373056426 /nfs/dbraw/zinc/05/64/26/373056426.db2.gz BYYFHHBZPPDJND-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000046598895 373056430 /nfs/dbraw/zinc/05/64/30/373056430.db2.gz BYYFHHBZPPDJND-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336864 373166033 /nfs/dbraw/zinc/16/60/33/373166033.db2.gz KZAHOOYGVLVGAJ-CHWSQXEVSA-N 1 1 261.325 2.634 20 5 CFBDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442610 373297805 /nfs/dbraw/zinc/29/78/05/373297805.db2.gz HOKWWNKCJMUMBW-LLVKDONJSA-N 1 1 279.340 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000049854609 373323814 /nfs/dbraw/zinc/32/38/14/373323814.db2.gz ITJZCTLMHJEMQW-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000051502241 373398523 /nfs/dbraw/zinc/39/85/23/373398523.db2.gz ZCVDOESEJFYYND-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054128051 373499783 /nfs/dbraw/zinc/49/97/83/373499783.db2.gz BIWDQMVRZXVMJM-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO COc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252872333 220229319 /nfs/dbraw/zinc/22/93/19/220229319.db2.gz PBMPCXMFOGZRHX-NEPJUHHUSA-N 1 1 291.351 2.642 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000064635887 373832671 /nfs/dbraw/zinc/83/26/71/373832671.db2.gz RSDSSQITSFDGHR-UHFFFAOYSA-N 1 1 292.257 2.858 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000068451024 374030353 /nfs/dbraw/zinc/03/03/53/374030353.db2.gz OMJAFIGAODTECN-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000070011540 374114328 /nfs/dbraw/zinc/11/43/28/374114328.db2.gz GMMBKMQBZMZXGG-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000072632727 374270852 /nfs/dbraw/zinc/27/08/52/374270852.db2.gz GXBJGBCFFWSYOZ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897488 374300618 /nfs/dbraw/zinc/30/06/18/374300618.db2.gz LUVPBRJZQUJQQK-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897488 374300624 /nfs/dbraw/zinc/30/06/24/374300624.db2.gz LUVPBRJZQUJQQK-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000075842637 374509124 /nfs/dbraw/zinc/50/91/24/374509124.db2.gz MMHWBRGDGVNCPO-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000075842637 374509128 /nfs/dbraw/zinc/50/91/28/374509128.db2.gz MMHWBRGDGVNCPO-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1csc([N+](=O)[O-])c1 ZINC000075860939 374509589 /nfs/dbraw/zinc/50/95/89/374509589.db2.gz SFYUCBQBUSMNGH-CYBMUJFWSA-N 1 1 297.424 2.963 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112411221 375917876 /nfs/dbraw/zinc/91/78/76/375917876.db2.gz QLVAUNRNVOFHIE-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118419796 376297208 /nfs/dbraw/zinc/29/72/08/376297208.db2.gz ZYECARBVOACRHO-NWDGAFQWSA-N 1 1 296.392 2.799 20 5 CFBDMO CC(C)C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119283855 376385177 /nfs/dbraw/zinc/38/51/77/376385177.db2.gz PTGXCLBWVJRKCR-CYBMUJFWSA-N 1 1 280.372 2.549 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130359819 377544297 /nfs/dbraw/zinc/54/42/97/377544297.db2.gz OGZQALOCHDBHNG-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO CSCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131275182 377686299 /nfs/dbraw/zinc/68/62/99/377686299.db2.gz SRBRMLPPUPQSJK-UHFFFAOYSA-N 1 1 266.366 2.706 20 5 CFBDMO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135590337 378146533 /nfs/dbraw/zinc/14/65/33/378146533.db2.gz HUPLDILHORWKKV-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135590337 378146538 /nfs/dbraw/zinc/14/65/38/378146538.db2.gz HUPLDILHORWKKV-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135259015 378105864 /nfs/dbraw/zinc/10/58/64/378105864.db2.gz WEDVNUVWNAGGLR-UHFFFAOYSA-N 1 1 292.335 2.693 20 5 CFBDMO CC[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135709720 378160199 /nfs/dbraw/zinc/16/01/99/378160199.db2.gz ZJPCTYWIMLYAPJ-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135709720 378160208 /nfs/dbraw/zinc/16/02/08/378160208.db2.gz ZJPCTYWIMLYAPJ-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330511208 378574910 /nfs/dbraw/zinc/57/49/10/378574910.db2.gz JTJSWFMJXMCKPG-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330511208 378574916 /nfs/dbraw/zinc/57/49/16/378574916.db2.gz JTJSWFMJXMCKPG-LBPRGKRZSA-N 1 1 291.351 2.716 20 5 CFBDMO CCC[C@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331046826 378620838 /nfs/dbraw/zinc/62/08/38/378620838.db2.gz GIDXOBGUJDKCOR-CQSZACIVSA-N 1 1 280.372 2.731 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280713 378662745 /nfs/dbraw/zinc/66/27/45/378662745.db2.gz IENSNNQDXICSKR-FOGDFJRCSA-N 1 1 284.381 2.638 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000331280713 378662750 /nfs/dbraw/zinc/66/27/50/378662750.db2.gz IENSNNQDXICSKR-FOGDFJRCSA-N 1 1 284.381 2.638 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332209192 378735967 /nfs/dbraw/zinc/73/59/67/378735967.db2.gz JHXVCGBXVUSOKA-RQJABVFESA-N 1 1 290.363 2.749 20 5 CFBDMO Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161509790 378852803 /nfs/dbraw/zinc/85/28/03/378852803.db2.gz NSMIYMUDUDSRDD-LBPRGKRZSA-N 1 1 292.383 2.975 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350715 379070003 /nfs/dbraw/zinc/07/00/03/379070003.db2.gz FXZMNOXIMJNIFJ-CMPLNLGQSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171951881 379450128 /nfs/dbraw/zinc/45/01/28/379450128.db2.gz YGLDTJBKYBHGOL-NEPJUHHUSA-N 1 1 293.367 2.900 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171951792 379450336 /nfs/dbraw/zinc/45/03/36/379450336.db2.gz CADQYSHSJIYTRT-RYUDHWBXSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](C2CC2)CC1 ZINC000171831530 379415510 /nfs/dbraw/zinc/41/55/10/379415510.db2.gz WRSPWAWTBPJUKT-UHFFFAOYSA-N 1 1 275.352 2.578 20 5 CFBDMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986380 379811272 /nfs/dbraw/zinc/81/12/72/379811272.db2.gz DEIFZJOWUGTCRH-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986380 379811276 /nfs/dbraw/zinc/81/12/76/379811276.db2.gz DEIFZJOWUGTCRH-SECBINFHSA-N 1 1 297.742 2.671 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000176201573 380194187 /nfs/dbraw/zinc/19/41/87/380194187.db2.gz BNIFJTVLKZKAJN-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO CC[C@@H](C)[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231812 380199570 /nfs/dbraw/zinc/19/95/70/380199570.db2.gz NVMANCPEWMNFGP-NEPJUHHUSA-N 1 1 280.372 2.690 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000264513973 383749054 /nfs/dbraw/zinc/74/90/54/383749054.db2.gz YKQSAFQKALKEDU-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388014 380786086 /nfs/dbraw/zinc/78/60/86/380786086.db2.gz JTZYVMLCZGPWPZ-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388014 380786090 /nfs/dbraw/zinc/78/60/90/380786090.db2.gz JTZYVMLCZGPWPZ-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000353775328 380844949 /nfs/dbraw/zinc/84/49/49/380844949.db2.gz METAGXFWVHLTRP-GFCCVEGCSA-N 1 1 266.341 2.840 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155806 381006443 /nfs/dbraw/zinc/00/64/43/381006443.db2.gz HOZPQYNEONUUHQ-IINYFYTJSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155806 381006451 /nfs/dbraw/zinc/00/64/51/381006451.db2.gz HOZPQYNEONUUHQ-IINYFYTJSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000354077894 381062797 /nfs/dbraw/zinc/06/27/97/381062797.db2.gz JYMOGVAGYCUFKJ-NWDGAFQWSA-N 1 1 282.365 2.515 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411949008 381068494 /nfs/dbraw/zinc/06/84/94/381068494.db2.gz QEJOXYJAEJFJAN-IRXDYDNUSA-N 1 1 298.342 2.903 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+](C)CC1 ZINC000347335557 381077405 /nfs/dbraw/zinc/07/74/05/381077405.db2.gz KLQLBGGFRCKWDC-KAMYIIQDSA-N 1 1 289.379 2.636 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C)CC1 ZINC000347335557 381077408 /nfs/dbraw/zinc/07/74/08/381077408.db2.gz KLQLBGGFRCKWDC-KAMYIIQDSA-N 1 1 289.379 2.636 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C)CC1 ZINC000347335557 381077411 /nfs/dbraw/zinc/07/74/11/381077411.db2.gz KLQLBGGFRCKWDC-KAMYIIQDSA-N 1 1 289.379 2.636 20 5 CFBDMO COCCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182695092 381140273 /nfs/dbraw/zinc/14/02/73/381140273.db2.gz LBWTWAIZFUFLBH-GFCCVEGCSA-N 1 1 266.341 2.933 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092478 381158100 /nfs/dbraw/zinc/15/81/00/381158100.db2.gz RDHPJRVIZCHICZ-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092478 381158102 /nfs/dbraw/zinc/15/81/02/381158102.db2.gz RDHPJRVIZCHICZ-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000359105042 381267320 /nfs/dbraw/zinc/26/73/20/381267320.db2.gz WKAUUURMQNXDAC-NEPJUHHUSA-N 1 1 278.356 2.501 20 5 CFBDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578655 381234182 /nfs/dbraw/zinc/23/41/82/381234182.db2.gz PLIJUDOINIVFGO-QWHCGFSZSA-N 1 1 294.399 2.938 20 5 CFBDMO CO[C@H](C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000354470868 381292426 /nfs/dbraw/zinc/29/24/26/381292426.db2.gz XIHPJDQHYGHEAW-CYBMUJFWSA-N 1 1 296.367 2.719 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290095686 381297570 /nfs/dbraw/zinc/29/75/70/381297570.db2.gz DJRTVDGOKXXALI-JTQLQIEISA-N 1 1 299.396 2.507 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000290098363 381298411 /nfs/dbraw/zinc/29/84/11/381298411.db2.gz HMWGYDACALBEQM-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000347711305 381309157 /nfs/dbraw/zinc/30/91/57/381309157.db2.gz WBAAMXUPBJBSTC-BETUJISGSA-N 1 1 291.395 2.818 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](CO)CC1 ZINC000354700859 381409120 /nfs/dbraw/zinc/40/91/20/381409120.db2.gz XGPGSXXYESBMHW-ZBKLQPJUSA-N 1 1 290.363 2.702 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](CO)CC1 ZINC000354700854 381409162 /nfs/dbraw/zinc/40/91/62/381409162.db2.gz XGPGSXXYESBMHW-GBXSZLQWSA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290392240 381409428 /nfs/dbraw/zinc/40/94/28/381409428.db2.gz IXHKQDPXHSHAEM-BBRMVZONSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290392240 381409430 /nfs/dbraw/zinc/40/94/30/381409430.db2.gz IXHKQDPXHSHAEM-BBRMVZONSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290392240 381409432 /nfs/dbraw/zinc/40/94/32/381409432.db2.gz IXHKQDPXHSHAEM-BBRMVZONSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000370271004 381417413 /nfs/dbraw/zinc/41/74/13/381417413.db2.gz ONUAOVBREZHSIF-SNVBAGLBSA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000370271004 381417423 /nfs/dbraw/zinc/41/74/23/381417423.db2.gz ONUAOVBREZHSIF-SNVBAGLBSA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000290643661 381507705 /nfs/dbraw/zinc/50/77/05/381507705.db2.gz YPPSOJJINDTYKG-HNNXBMFYSA-N 1 1 280.368 2.742 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290943076 381606438 /nfs/dbraw/zinc/60/64/38/381606438.db2.gz KZUHDKRZWYCWSD-UHFFFAOYSA-N 1 1 267.304 2.548 20 5 CFBDMO CC(=O)c1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000298496818 381650943 /nfs/dbraw/zinc/65/09/43/381650943.db2.gz ZHRZITQVPLQXPS-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616603 381683853 /nfs/dbraw/zinc/68/38/53/381683853.db2.gz QTWZJDPDHPYJRR-AAEUAGOBSA-N 1 1 291.351 2.654 20 5 CFBDMO COC1CC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000348744128 381691483 /nfs/dbraw/zinc/69/14/83/381691483.db2.gz YPHNSTVBBHEOJY-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754293 381736786 /nfs/dbraw/zinc/73/67/86/381736786.db2.gz NQXYOAVPVWNRQG-GXTWGEPZSA-N 1 1 278.352 2.637 20 5 CFBDMO COc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488935 381746280 /nfs/dbraw/zinc/74/62/80/381746280.db2.gz ZIMOUTHSKUKERV-KOLCDFICSA-N 1 1 297.330 2.637 20 5 CFBDMO COCC1=CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185831689 381747786 /nfs/dbraw/zinc/74/77/86/381747786.db2.gz NIBIVCCFBFCOGE-GFCCVEGCSA-N 1 1 276.336 2.934 20 5 CFBDMO CC[NH+](CC)[C@@H](C)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000355280239 381722367 /nfs/dbraw/zinc/72/23/67/381722367.db2.gz MNRGWDNSTYLZOZ-GDAGCXPBSA-N 1 1 291.395 2.928 20 5 CFBDMO COCC(C)(C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292712281 381818349 /nfs/dbraw/zinc/81/83/49/381818349.db2.gz DINMFIJOQHCIQO-VQHVLOKHSA-N 1 1 278.352 2.965 20 5 CFBDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343633049 381856250 /nfs/dbraw/zinc/85/62/50/381856250.db2.gz ZCCUEWYDEDCAOI-LLVKDONJSA-N 1 1 279.340 2.654 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000299208258 381860448 /nfs/dbraw/zinc/86/04/48/381860448.db2.gz RSOXQOPIMLSCBE-SNVBAGLBSA-N 1 1 252.339 2.705 20 5 CFBDMO CCC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299384520 381920091 /nfs/dbraw/zinc/92/00/91/381920091.db2.gz PHERZPFGCFCMIP-UHFFFAOYSA-N 1 1 299.758 2.919 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292892409 381888151 /nfs/dbraw/zinc/88/81/51/381888151.db2.gz VWRYXHAXEQNMEA-OAHLLOKOSA-N 1 1 293.342 2.656 20 5 CFBDMO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000373104095 381929252 /nfs/dbraw/zinc/92/92/52/381929252.db2.gz LOEKKSFRCLWCKY-UHFFFAOYSA-N 1 1 289.335 2.552 20 5 CFBDMO O=C(C[N@H+]1CCCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000373104095 381929259 /nfs/dbraw/zinc/92/92/59/381929259.db2.gz LOEKKSFRCLWCKY-UHFFFAOYSA-N 1 1 289.335 2.552 20 5 CFBDMO COc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000186617199 381966225 /nfs/dbraw/zinc/96/62/25/381966225.db2.gz JVRMKWKUPFYUPK-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO CCC[N@@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299439432 381942142 /nfs/dbraw/zinc/94/21/42/381942142.db2.gz SDANBZKPNBSFFX-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186780217 382010969 /nfs/dbraw/zinc/01/09/69/382010969.db2.gz MPOLNQUIPRLERK-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293167189 382014674 /nfs/dbraw/zinc/01/46/74/382014674.db2.gz PAKQESARJIMEAJ-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293167189 382014680 /nfs/dbraw/zinc/01/46/80/382014680.db2.gz PAKQESARJIMEAJ-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC3(CC3)C2)c1 ZINC000186951751 382054671 /nfs/dbraw/zinc/05/46/71/382054671.db2.gz OBCJZTVPSCYNRQ-UHFFFAOYSA-N 1 1 276.336 2.850 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000343995765 382055799 /nfs/dbraw/zinc/05/57/99/382055799.db2.gz ZVJHYKAJVACQMX-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000300420238 382064390 /nfs/dbraw/zinc/06/43/90/382064390.db2.gz AHQKVFVJXOFFIB-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000343930210 382026734 /nfs/dbraw/zinc/02/67/34/382026734.db2.gz RQADKDWYDFETMM-SNVBAGLBSA-N 1 1 298.774 2.930 20 5 CFBDMO C[C@H](CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000417317414 382038612 /nfs/dbraw/zinc/03/86/12/382038612.db2.gz WPWRMPUDDBTMQK-WBMJQRKESA-N 1 1 291.395 2.902 20 5 CFBDMO COc1cc(C[N@H+](C)Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000351978763 382104331 /nfs/dbraw/zinc/10/43/31/382104331.db2.gz ZNCYTDHPBIQTDS-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO COc1cc(C[N@@H+](C)Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000351978763 382104339 /nfs/dbraw/zinc/10/43/39/382104339.db2.gz ZNCYTDHPBIQTDS-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301123771 382086263 /nfs/dbraw/zinc/08/62/63/382086263.db2.gz ZXPJQWHVFCUUJI-XQQFMLRXSA-N 1 1 292.383 2.768 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000301132025 382089855 /nfs/dbraw/zinc/08/98/55/382089855.db2.gz SPIAJROTIZHNOL-LLVKDONJSA-N 1 1 290.298 2.666 20 5 CFBDMO CC[N@@H+](CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000301147748 382092635 /nfs/dbraw/zinc/09/26/35/382092635.db2.gz BRCUXUVTOYSUAM-UHFFFAOYSA-N 1 1 251.330 2.737 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000301186420 382101564 /nfs/dbraw/zinc/10/15/64/382101564.db2.gz KFUHYEAAYUHZFG-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000301309770 382145725 /nfs/dbraw/zinc/14/57/25/382145725.db2.gz YBZIYIGWCDIPSA-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377234800 382237725 /nfs/dbraw/zinc/23/77/25/382237725.db2.gz XNYUBXOZKIRJSU-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO CCC(CC)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335108 382309160 /nfs/dbraw/zinc/30/91/60/382309160.db2.gz HVSJYGJWFSZMOF-ZDUSSCGKSA-N 1 1 280.372 2.864 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419353596 382295248 /nfs/dbraw/zinc/29/52/48/382295248.db2.gz LLXLUMGIHCZXSE-OUAUKWLOSA-N 1 1 288.351 2.947 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000346419866 382355233 /nfs/dbraw/zinc/35/52/33/382355233.db2.gz UYUPOQLOBMCXPJ-UHFFFAOYSA-N 1 1 286.763 2.787 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420314340 382362250 /nfs/dbraw/zinc/36/22/50/382362250.db2.gz VOZSHEFNIRAPBG-RKLWJJNISA-N 1 1 289.379 2.633 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092517 382375439 /nfs/dbraw/zinc/37/54/39/382375439.db2.gz CKXBJTMUZNXMOM-VXGBXAGGSA-N 1 1 284.381 2.782 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092517 382375442 /nfs/dbraw/zinc/37/54/42/382375442.db2.gz CKXBJTMUZNXMOM-VXGBXAGGSA-N 1 1 284.381 2.782 20 5 CFBDMO CC(C)SCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620102 382421042 /nfs/dbraw/zinc/42/10/42/382421042.db2.gz AHUDUZWHAAWERN-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO CC(C)SCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620102 382421044 /nfs/dbraw/zinc/42/10/44/382421044.db2.gz AHUDUZWHAAWERN-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO COCCCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706591 382452629 /nfs/dbraw/zinc/45/26/29/382452629.db2.gz OJSHWXFFILTDNN-UHFFFAOYSA-N 1 1 294.351 2.606 20 5 CFBDMO COCCCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706591 382452638 /nfs/dbraw/zinc/45/26/38/382452638.db2.gz OJSHWXFFILTDNN-UHFFFAOYSA-N 1 1 294.351 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCF)CCO2 ZINC000352705304 382453072 /nfs/dbraw/zinc/45/30/72/382453072.db2.gz JNEQSXRBAYHXEN-UHFFFAOYSA-N 1 1 268.288 2.539 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCF)CCO2 ZINC000352705304 382453079 /nfs/dbraw/zinc/45/30/79/382453079.db2.gz JNEQSXRBAYHXEN-UHFFFAOYSA-N 1 1 268.288 2.539 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000343955241 220279405 /nfs/dbraw/zinc/27/94/05/220279405.db2.gz KUZLPHZEVGJRAB-LBPRGKRZSA-N 1 1 263.341 2.881 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294966845 382557231 /nfs/dbraw/zinc/55/72/31/382557231.db2.gz FJQUMGKDELEGOS-LBPRGKRZSA-N 1 1 266.366 2.841 20 5 CFBDMO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccn(C)n1 ZINC000358321763 382566750 /nfs/dbraw/zinc/56/67/50/382566750.db2.gz KANJNZJLQSIXEH-ZDUSSCGKSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC000295205210 382583786 /nfs/dbraw/zinc/58/37/86/382583786.db2.gz TXDVFEJQODAEOG-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO C[N@@H+](CCc1cscn1)CCc1cccc([N+](=O)[O-])c1 ZINC000295325089 382617832 /nfs/dbraw/zinc/61/78/32/382617832.db2.gz LZXRPBQARSAFNK-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190211181 382657109 /nfs/dbraw/zinc/65/71/09/382657109.db2.gz UOXPRZJEHVHHID-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO CC1(C)C[NH+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000190533265 382672590 /nfs/dbraw/zinc/67/25/90/382672590.db2.gz WDVFCAAFYWGXRV-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337254892 382786994 /nfs/dbraw/zinc/78/69/94/382786994.db2.gz RDOSYHWPODTROA-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000223920973 382808257 /nfs/dbraw/zinc/80/82/57/382808257.db2.gz RDAITPYNTFJIDL-JTQLQIEISA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000576239590 382815944 /nfs/dbraw/zinc/81/59/44/382815944.db2.gz CAXYNZYQBQTZNS-CYBMUJFWSA-N 1 1 273.292 2.668 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000227380153 382836601 /nfs/dbraw/zinc/83/66/01/382836601.db2.gz CUULYMQIIRZWIM-GOEBONIOSA-N 1 1 290.363 2.722 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000230379248 382861104 /nfs/dbraw/zinc/86/11/04/382861104.db2.gz UHMRLTJMNOVZQG-HNNXBMFYSA-N 1 1 278.352 2.640 20 5 CFBDMO Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000230686331 382862031 /nfs/dbraw/zinc/86/20/31/382862031.db2.gz HRTCEYNFPOQJGO-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000577529389 382862817 /nfs/dbraw/zinc/86/28/17/382862817.db2.gz SROMMFGGEHMQNO-KGLIPLIRSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000577529389 382862820 /nfs/dbraw/zinc/86/28/20/382862820.db2.gz SROMMFGGEHMQNO-KGLIPLIRSA-N 1 1 298.346 2.972 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC000533237320 382888595 /nfs/dbraw/zinc/88/85/95/382888595.db2.gz OMTWMJFUAJMHDO-VOMCLLRMSA-N 1 1 289.335 2.549 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549848772 383015388 /nfs/dbraw/zinc/01/53/88/383015388.db2.gz PBQXPCFCMGCWCP-LBPRGKRZSA-N 1 1 286.278 2.717 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443065925 382965397 /nfs/dbraw/zinc/96/53/97/382965397.db2.gz GWPPWVJVOLKEQS-OCCSQVGLSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cccc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000338705251 383028386 /nfs/dbraw/zinc/02/83/86/383028386.db2.gz FZCVEPQTHXYXRG-AWEZNQCLSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000338709660 383029634 /nfs/dbraw/zinc/02/96/34/383029634.db2.gz FFDAMOGYBWGWEJ-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123343 383145487 /nfs/dbraw/zinc/14/54/87/383145487.db2.gz RFWFKGHLCYYWFV-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123343 383145488 /nfs/dbraw/zinc/14/54/88/383145488.db2.gz RFWFKGHLCYYWFV-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247505186 383179478 /nfs/dbraw/zinc/17/94/78/383179478.db2.gz IUMPPIJZUSZIGG-VXGBXAGGSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1noc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449276181 383195895 /nfs/dbraw/zinc/19/58/95/383195895.db2.gz BGSVGKMVVQBXAV-NXEZZACHSA-N 1 1 290.323 2.568 20 5 CFBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449377221 383247608 /nfs/dbraw/zinc/24/76/08/383247608.db2.gz RZMUJAKIWUNVQZ-ZDUSSCGKSA-N 1 1 280.368 2.921 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248607085 383269660 /nfs/dbraw/zinc/26/96/60/383269660.db2.gz DCXFHYSTMITCLV-UWVGGRQHSA-N 1 1 282.315 2.973 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449492059 383330033 /nfs/dbraw/zinc/33/00/33/383330033.db2.gz BDZCITVGLOLTFV-TZDXQJPWSA-N 1 1 290.363 2.965 20 5 CFBDMO CCO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449494445 383331482 /nfs/dbraw/zinc/33/14/82/383331482.db2.gz NBCBGCYHGRLHFT-ZYHUDNBSSA-N 1 1 284.381 2.903 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000449494445 383331485 /nfs/dbraw/zinc/33/14/85/383331485.db2.gz NBCBGCYHGRLHFT-ZYHUDNBSSA-N 1 1 284.381 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000449497662 383335440 /nfs/dbraw/zinc/33/54/40/383335440.db2.gz IYXAUCLBWDPDFY-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000449497662 383335444 /nfs/dbraw/zinc/33/54/44/383335444.db2.gz IYXAUCLBWDPDFY-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000449502394 383339403 /nfs/dbraw/zinc/33/94/03/383339403.db2.gz RPISLRUQEYBISS-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000449502394 383339408 /nfs/dbraw/zinc/33/94/08/383339408.db2.gz RPISLRUQEYBISS-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000449502394 383339414 /nfs/dbraw/zinc/33/94/14/383339414.db2.gz RPISLRUQEYBISS-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449503361 383340649 /nfs/dbraw/zinc/34/06/49/383340649.db2.gz PLAHQNNGNVLIDH-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1 ZINC000449467430 383311022 /nfs/dbraw/zinc/31/10/22/383311022.db2.gz JBBFWKPOJJWCMU-YNEHKIRRSA-N 1 1 296.392 2.782 20 5 CFBDMO CCc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc(C)[nH+]1 ZINC000521989038 383319196 /nfs/dbraw/zinc/31/91/96/383319196.db2.gz YSXZKGHKXLFKJZ-UHFFFAOYSA-N 1 1 298.346 2.818 20 5 CFBDMO Cc1c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882375 383382181 /nfs/dbraw/zinc/38/21/81/383382181.db2.gz CBWVAYOWGNJQNL-GJZGRUSLSA-N 1 1 289.379 2.620 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567696 383546975 /nfs/dbraw/zinc/54/69/75/383546975.db2.gz YALJLKJSVUSUHJ-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261871933 383572569 /nfs/dbraw/zinc/57/25/69/383572569.db2.gz PACSQXDTQSFMCH-MRXNPFEDSA-N 1 1 291.395 2.805 20 5 CFBDMO CS[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451320790 383589455 /nfs/dbraw/zinc/58/94/55/383589455.db2.gz MDIHVSPILMVAHY-VIFPVBQESA-N 1 1 270.329 2.671 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451320790 383589459 /nfs/dbraw/zinc/58/94/59/383589459.db2.gz MDIHVSPILMVAHY-VIFPVBQESA-N 1 1 270.329 2.671 20 5 CFBDMO COc1cc(C[N@H+](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000451368340 383600404 /nfs/dbraw/zinc/60/04/04/383600404.db2.gz OMAPWNLCVCKGOQ-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000451368340 383600409 /nfs/dbraw/zinc/60/04/09/383600409.db2.gz OMAPWNLCVCKGOQ-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489247347 383601487 /nfs/dbraw/zinc/60/14/87/383601487.db2.gz FSYPMPLWJRAOLW-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489247347 383601490 /nfs/dbraw/zinc/60/14/90/383601490.db2.gz FSYPMPLWJRAOLW-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488596138 383564554 /nfs/dbraw/zinc/56/45/54/383564554.db2.gz YJWOPUKCCVHZHB-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO CCC[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551326 383643551 /nfs/dbraw/zinc/64/35/51/383643551.db2.gz UHBQVZHGIOHAAQ-HOCLYGCPSA-N 1 1 292.379 2.935 20 5 CFBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000489422691 383618116 /nfs/dbraw/zinc/61/81/16/383618116.db2.gz GLFGNWDJBYMTTQ-CYBMUJFWSA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cncs1)C2 ZINC000570611821 383618425 /nfs/dbraw/zinc/61/84/25/383618425.db2.gz UTNBDLSFXMGUAX-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000489475079 383622807 /nfs/dbraw/zinc/62/28/07/383622807.db2.gz LRFAACHBCSGFPE-LBPRGKRZSA-N 1 1 274.324 2.701 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000489475079 383622809 /nfs/dbraw/zinc/62/28/09/383622809.db2.gz LRFAACHBCSGFPE-LBPRGKRZSA-N 1 1 274.324 2.701 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489496470 383624983 /nfs/dbraw/zinc/62/49/83/383624983.db2.gz FDKFTYIHSBDRTR-CYBMUJFWSA-N 1 1 264.325 2.834 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451526281 383634813 /nfs/dbraw/zinc/63/48/13/383634813.db2.gz GMUONAHAAKBJKQ-CZUORRHYSA-N 1 1 292.379 2.884 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451526283 383635015 /nfs/dbraw/zinc/63/50/15/383635015.db2.gz GMUONAHAAKBJKQ-XJKSGUPXSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1cc(C)n(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000264554308 383754695 /nfs/dbraw/zinc/75/46/95/383754695.db2.gz KSPDUGGXXKJBSZ-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO Cc1cc(C)n(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000264554308 383754701 /nfs/dbraw/zinc/75/47/01/383754701.db2.gz KSPDUGGXXKJBSZ-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984321 383853367 /nfs/dbraw/zinc/85/33/67/383853367.db2.gz AACBSSRXJKMNJC-BXUZGUMPSA-N 1 1 277.368 2.512 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000573185493 383886005 /nfs/dbraw/zinc/88/60/05/383886005.db2.gz LACJZHHFIYNBAJ-JTQLQIEISA-N 1 1 294.330 2.558 20 5 CFBDMO COC(C)(C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000531575313 383890766 /nfs/dbraw/zinc/89/07/66/383890766.db2.gz KQZGBBYSAYAHAY-UHFFFAOYSA-N 1 1 258.343 2.513 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000531575313 383890772 /nfs/dbraw/zinc/89/07/72/383890772.db2.gz KQZGBBYSAYAHAY-UHFFFAOYSA-N 1 1 258.343 2.513 20 5 CFBDMO C[NH+](C)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000438342429 383986590 /nfs/dbraw/zinc/98/65/90/383986590.db2.gz XMWXEUMWHUHAKB-YVMONPNESA-N 1 1 289.379 2.682 20 5 CFBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277126818 384207868 /nfs/dbraw/zinc/20/78/68/384207868.db2.gz RWKSAUYAPOKFES-NXEZZACHSA-N 1 1 298.770 2.982 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000266906472 384259637 /nfs/dbraw/zinc/25/96/37/384259637.db2.gz HXTGQSIXARGOST-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267106670 384300897 /nfs/dbraw/zinc/30/08/97/384300897.db2.gz WIMGLBPVWYDJLY-ZDUSSCGKSA-N 1 1 288.351 2.793 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595978 384421556 /nfs/dbraw/zinc/42/15/56/384421556.db2.gz ITGPJADYHKFQEC-GWCFXTLKSA-N 1 1 281.331 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000268069352 285114135 /nfs/dbraw/zinc/11/41/35/285114135.db2.gz CBZSVALXUMBPAM-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000268069352 285114137 /nfs/dbraw/zinc/11/41/37/285114137.db2.gz CBZSVALXUMBPAM-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000264925924 285121651 /nfs/dbraw/zinc/12/16/51/285121651.db2.gz NNCKKFVAUPCEMV-UHFFFAOYSA-N 1 1 272.308 2.702 20 5 CFBDMO Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000268224990 384571893 /nfs/dbraw/zinc/57/18/93/384571893.db2.gz KPZJQYARDCMDRK-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000263923112 285124796 /nfs/dbraw/zinc/12/47/96/285124796.db2.gz WQPVKYWPWKBPPJ-JTQLQIEISA-N 1 1 290.298 2.841 20 5 CFBDMO Cc1cnc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268294569 384593629 /nfs/dbraw/zinc/59/36/29/384593629.db2.gz ZJINQNJFXDSYPO-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000301382602 285133782 /nfs/dbraw/zinc/13/37/82/285133782.db2.gz ZKSKQERTIBLIJJ-APHBMKBZSA-N 1 1 287.363 2.515 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692305 384837590 /nfs/dbraw/zinc/83/75/90/384837590.db2.gz VLDAXMGDYBQWKZ-SMDDNHRTSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269664860 384825422 /nfs/dbraw/zinc/82/54/22/384825422.db2.gz RLSHROXPXKUTIN-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269690432 384837873 /nfs/dbraw/zinc/83/78/73/384837873.db2.gz UTVIVWLGJCXHMN-OAHLLOKOSA-N 1 1 278.352 2.893 20 5 CFBDMO CC1=CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270398726 385087039 /nfs/dbraw/zinc/08/70/39/385087039.db2.gz ZESJKMFTXRXNPC-UHFFFAOYSA-N 1 1 289.335 2.575 20 5 CFBDMO CC1=CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000280781596 385150910 /nfs/dbraw/zinc/15/09/10/385150910.db2.gz IJGRSTDDKRQULR-UHFFFAOYSA-N 1 1 290.319 2.613 20 5 CFBDMO CC1=CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000280781596 385150919 /nfs/dbraw/zinc/15/09/19/385150919.db2.gz IJGRSTDDKRQULR-UHFFFAOYSA-N 1 1 290.319 2.613 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227902130 285156516 /nfs/dbraw/zinc/15/65/16/285156516.db2.gz DSCCFAYQKVYXSL-RYUDHWBXSA-N 1 1 279.315 2.773 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000282402658 385302513 /nfs/dbraw/zinc/30/25/13/385302513.db2.gz HUNMEGSDRYTDAW-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353743796 285159870 /nfs/dbraw/zinc/15/98/70/285159870.db2.gz CWTGNXOGNAYFCQ-INIZCTEOSA-N 1 1 290.363 2.987 20 5 CFBDMO CCOc1ccc([C@@H](C)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000271122877 385342219 /nfs/dbraw/zinc/34/22/19/385342219.db2.gz JTUVFJXTHCUCKV-VXGBXAGGSA-N 1 1 295.383 2.594 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000282635913 385358940 /nfs/dbraw/zinc/35/89/40/385358940.db2.gz BGFUAACSUDVTBP-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283279860 385452357 /nfs/dbraw/zinc/45/23/57/385452357.db2.gz XDQJDKYGCWXYLE-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CCCCC1)CC2 ZINC000408151218 285184087 /nfs/dbraw/zinc/18/40/87/285184087.db2.gz ZXQXABNSVMSLAX-UHFFFAOYSA-N 1 1 275.352 2.928 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287192841 385800146 /nfs/dbraw/zinc/80/01/46/385800146.db2.gz HSGHJVHDIYDIBA-ZDUSSCGKSA-N 1 1 292.383 2.853 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000276857561 386060536 /nfs/dbraw/zinc/06/05/36/386060536.db2.gz JWWFNNNNPAVXPS-JTQLQIEISA-N 1 1 284.356 2.919 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276878622 386066995 /nfs/dbraw/zinc/06/69/95/386066995.db2.gz INOPYRLCAVYADK-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281380586 195218287 /nfs/dbraw/zinc/21/82/87/195218287.db2.gz MGYUQUGAXQJYIF-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281380586 195218289 /nfs/dbraw/zinc/21/82/89/195218289.db2.gz MGYUQUGAXQJYIF-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878383 130104232 /nfs/dbraw/zinc/10/42/32/130104232.db2.gz RSCSXPASFBMBSI-TYNCELHUSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878383 130104233 /nfs/dbraw/zinc/10/42/33/130104233.db2.gz RSCSXPASFBMBSI-TYNCELHUSA-N 1 1 289.379 2.728 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000269473645 132175620 /nfs/dbraw/zinc/17/56/20/132175620.db2.gz JUZLQVGIHZJYIB-UHFFFAOYSA-N 1 1 288.351 2.935 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191812290 393606607 /nfs/dbraw/zinc/60/66/07/393606607.db2.gz BDDWBIUCZQDMJH-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411178456 393681194 /nfs/dbraw/zinc/68/11/94/393681194.db2.gz YBDNXQSILODAIM-UHFFFAOYSA-N 1 1 291.351 2.796 20 5 CFBDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149396 393760176 /nfs/dbraw/zinc/76/01/76/393760176.db2.gz DLWZIFRUMVIULS-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccccn1)CC2 ZINC000088605531 393763821 /nfs/dbraw/zinc/76/38/21/393763821.db2.gz NRMRPCVBXWAFPM-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227504993 393772661 /nfs/dbraw/zinc/77/26/61/393772661.db2.gz FYKBLZCXLDYSTE-JSGCOSHPSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)nc1 ZINC000245451379 393805362 /nfs/dbraw/zinc/80/53/62/393805362.db2.gz PLKZYKBZVZVKSA-QWHCGFSZSA-N 1 1 288.351 2.585 20 5 CFBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000470175826 393898700 /nfs/dbraw/zinc/89/87/00/393898700.db2.gz SQHVQZYOUBWYEB-SOKLDJIMSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C ZINC000120155677 393930733 /nfs/dbraw/zinc/93/07/33/393930733.db2.gz HRVBVIWEYASMOV-GXTWGEPZSA-N 1 1 280.372 2.692 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C ZINC000430200810 393966935 /nfs/dbraw/zinc/96/69/35/393966935.db2.gz HZKJOMNNONAGBJ-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H](C)C1 ZINC000430228643 393970639 /nfs/dbraw/zinc/97/06/39/393970639.db2.gz DLINCKCQOWBNMJ-LLVKDONJSA-N 1 1 296.392 2.788 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000430245331 393972255 /nfs/dbraw/zinc/97/22/55/393972255.db2.gz RUVFIEMOOFHFKL-CYBMUJFWSA-N 1 1 264.325 2.834 20 5 CFBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266925528 393984695 /nfs/dbraw/zinc/98/46/95/393984695.db2.gz ZGWADJDDIJHIPS-SRVKXCTJSA-N 1 1 293.367 2.549 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123783736 393987187 /nfs/dbraw/zinc/98/71/87/393987187.db2.gz GLYZMCGFTYGFDK-BBRMVZONSA-N 1 1 292.379 2.763 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC[C@H]2CCOC2)C2CC2)cc1 ZINC000437582926 394060626 /nfs/dbraw/zinc/06/06/26/394060626.db2.gz ZBGMCSSZZXOURF-AWEZNQCLSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000286012931 394179448 /nfs/dbraw/zinc/17/94/48/394179448.db2.gz FDNGOYJIIMUGCQ-RYUDHWBXSA-N 1 1 292.383 2.709 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCCO1 ZINC000439471964 394117457 /nfs/dbraw/zinc/11/74/57/394117457.db2.gz RUJBYKYBMZRMLM-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420943519 394133831 /nfs/dbraw/zinc/13/38/31/394133831.db2.gz RCRVWSRHDZLYMX-JHJVBQTASA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049830 394144861 /nfs/dbraw/zinc/14/48/61/394144861.db2.gz HFNIZXFLBUITFT-MNOVXSKESA-N 1 1 281.331 2.571 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000360069924 394145728 /nfs/dbraw/zinc/14/57/28/394145728.db2.gz GFAILTJGIWOEIB-GFCCVEGCSA-N 1 1 293.342 2.715 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)cs1 ZINC000421015574 394157993 /nfs/dbraw/zinc/15/79/93/394157993.db2.gz LOKQMWUHXXVNLZ-LLVKDONJSA-N 1 1 284.381 2.641 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000363491653 394196971 /nfs/dbraw/zinc/19/69/71/394196971.db2.gz WDAAAACQXFFHSV-ZDUSSCGKSA-N 1 1 276.336 2.835 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270056 394275834 /nfs/dbraw/zinc/27/58/34/394275834.db2.gz WKERBAJYKDCYDQ-YPMHNXCESA-N 1 1 265.357 2.619 20 5 CFBDMO CC1(C)C[C@@H](NCC(F)(F)C[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423344492 394277773 /nfs/dbraw/zinc/27/77/73/394277773.db2.gz MYPGTZCCEJSCSA-GFCCVEGCSA-N 1 1 299.321 2.501 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])CC ZINC000423458774 394282755 /nfs/dbraw/zinc/28/27/55/394282755.db2.gz HGPPUPOZHVDLBC-NWDGAFQWSA-N 1 1 297.424 2.792 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153636672 394287411 /nfs/dbraw/zinc/28/74/11/394287411.db2.gz MKMVHZIADZYUEW-CQSZACIVSA-N 1 1 296.754 2.861 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1COC1 ZINC000295590375 394301215 /nfs/dbraw/zinc/30/12/15/394301215.db2.gz BZYAQUKQVLBEJJ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1COC1 ZINC000295590375 394301219 /nfs/dbraw/zinc/30/12/19/394301219.db2.gz BZYAQUKQVLBEJJ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581159 394335883 /nfs/dbraw/zinc/33/58/83/394335883.db2.gz NSWIAUXZTRSCDL-MBNYWOFBSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581159 394335884 /nfs/dbraw/zinc/33/58/84/394335884.db2.gz NSWIAUXZTRSCDL-MBNYWOFBSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000535804324 394547118 /nfs/dbraw/zinc/54/71/18/394547118.db2.gz NCLJBICUUKAYEK-XQRVVYSFSA-N 1 1 276.336 2.719 20 5 CFBDMO COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000539809105 394635217 /nfs/dbraw/zinc/63/52/17/394635217.db2.gz KEYRWVBOHYKLHK-PHIMTYICSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@H]1C[C@H](C)[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000547768493 394888365 /nfs/dbraw/zinc/88/83/65/394888365.db2.gz RCZDRCZEDFBNBX-UWVGGRQHSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555076490 394965596 /nfs/dbraw/zinc/96/55/96/394965596.db2.gz CEYPMLQRAJWIJU-CABZTGNLSA-N 1 1 286.278 2.969 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555076490 394965601 /nfs/dbraw/zinc/96/56/01/394965601.db2.gz CEYPMLQRAJWIJU-CABZTGNLSA-N 1 1 286.278 2.969 20 5 CFBDMO Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726924 292137349 /nfs/dbraw/zinc/13/73/49/292137349.db2.gz VMOSMAJLTHTQBS-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791673 155370059 /nfs/dbraw/zinc/37/00/59/155370059.db2.gz JLBCJFRANPNUFH-NEPJUHHUSA-N 1 1 293.367 2.522 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071784 292297087 /nfs/dbraw/zinc/29/70/87/292297087.db2.gz RZSMUPHHMYBWRD-OSMZGAPFSA-N 1 1 278.352 2.667 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000348166160 154345951 /nfs/dbraw/zinc/34/59/51/154345951.db2.gz FUMRVZFHERPPDG-STQMWFEESA-N 1 1 292.383 2.607 20 5 CFBDMO COCCSCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000362931244 156118270 /nfs/dbraw/zinc/11/82/70/156118270.db2.gz BKNPPZAMHLTKEH-UHFFFAOYSA-N 1 1 298.408 2.796 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367053299 156274130 /nfs/dbraw/zinc/27/41/30/156274130.db2.gz FAPZKVIJLALJGQ-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cs1 ZINC000367447026 156333670 /nfs/dbraw/zinc/33/36/70/156333670.db2.gz IRJXFPHKOLDXDR-CYBMUJFWSA-N 1 1 282.365 2.659 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC000374906479 157171248 /nfs/dbraw/zinc/17/12/48/157171248.db2.gz AMDRULNSVFXMLD-SWLSCSKDSA-N 1 1 294.326 2.735 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375103405 157196347 /nfs/dbraw/zinc/19/63/47/157196347.db2.gz ZEMSCCHULVANAG-AWEZNQCLSA-N 1 1 278.352 2.843 20 5 CFBDMO Cc1c(C[N@H+]2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000408173723 157383933 /nfs/dbraw/zinc/38/39/33/157383933.db2.gz CMEXIAXEHIJVAK-UHFFFAOYSA-N 1 1 276.336 2.516 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+](C)C(C)C ZINC000344892272 162142228 /nfs/dbraw/zinc/14/22/28/162142228.db2.gz XNISSDFHEFDVEK-GXDHUFHOSA-N 1 1 291.395 2.928 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+](C)C(C)C ZINC000344892272 162142234 /nfs/dbraw/zinc/14/22/34/162142234.db2.gz XNISSDFHEFDVEK-GXDHUFHOSA-N 1 1 291.395 2.928 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000345355452 162233724 /nfs/dbraw/zinc/23/37/24/162233724.db2.gz MCUBRBNBXJMWGR-GXFFZTMASA-N 1 1 286.335 2.895 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180491 162342037 /nfs/dbraw/zinc/34/20/37/162342037.db2.gz BYWNFCJJUOFUES-UONOGXRCSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180491 162342039 /nfs/dbraw/zinc/34/20/39/162342039.db2.gz BYWNFCJJUOFUES-UONOGXRCSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180491 162342043 /nfs/dbraw/zinc/34/20/43/162342043.db2.gz BYWNFCJJUOFUES-UONOGXRCSA-N 1 1 291.395 2.552 20 5 CFBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000348712072 162890888 /nfs/dbraw/zinc/89/08/88/162890888.db2.gz HIKUVLWMIOXEGE-RPHSKFLZSA-N 1 1 278.352 2.701 20 5 CFBDMO COc1cc(C[N@@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000352766936 163231414 /nfs/dbraw/zinc/23/14/14/163231414.db2.gz DYGVLRVQQFLYGO-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO Cc1cnc(OCC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000284233740 196009857 /nfs/dbraw/zinc/00/98/57/196009857.db2.gz NGLTXZZBGKCCFG-GFCCVEGCSA-N 1 1 279.340 2.551 20 5 CFBDMO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005756817 170137552 /nfs/dbraw/zinc/13/75/52/170137552.db2.gz FPGNGTBUTMQDAT-UHFFFAOYSA-N 1 1 297.742 2.673 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCCC1 ZINC000007782004 170302293 /nfs/dbraw/zinc/30/22/93/170302293.db2.gz ZZFGYNWOCPHIHJ-UHFFFAOYSA-N 1 1 291.351 2.718 20 5 CFBDMO CC(C)C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201769 171065939 /nfs/dbraw/zinc/06/59/39/171065939.db2.gz KFVAPKHCQWUULB-HNNXBMFYSA-N 1 1 279.384 2.661 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000284753903 196125242 /nfs/dbraw/zinc/12/52/42/196125242.db2.gz LPVKBYODRSUPFP-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO C[C@@H](C[NH+]1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000035258929 172090750 /nfs/dbraw/zinc/09/07/50/172090750.db2.gz ORWZMGWJCGBHPA-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1noc(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285251865 196232814 /nfs/dbraw/zinc/23/28/14/196232814.db2.gz HFIKZYYMPFKBPC-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000285283332 196240634 /nfs/dbraw/zinc/24/06/34/196240634.db2.gz JQEJXQONJOSJPZ-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044417334 175173175 /nfs/dbraw/zinc/17/31/75/175173175.db2.gz FYRKPDLFTTWEEA-JTQLQIEISA-N 1 1 281.743 2.897 20 5 CFBDMO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533987 175197766 /nfs/dbraw/zinc/19/77/66/175197766.db2.gz RDRTUFWWYROPOS-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533987 175197772 /nfs/dbraw/zinc/19/77/72/175197772.db2.gz RDRTUFWWYROPOS-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO CCC[C@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000071273130 176105198 /nfs/dbraw/zinc/10/51/98/176105198.db2.gz QDERYUPEUIEMGY-AWEZNQCLSA-N 1 1 288.351 2.959 20 5 CFBDMO C[N@@H+](CCNCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000071377058 176142174 /nfs/dbraw/zinc/14/21/74/176142174.db2.gz OBPHHGCCJFSCSO-UHFFFAOYSA-N 1 1 283.397 2.620 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000195313645 270252732 /nfs/dbraw/zinc/25/27/32/270252732.db2.gz CCONCDDPKRYXLQ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000195313645 270252733 /nfs/dbraw/zinc/25/27/33/270252733.db2.gz CCONCDDPKRYXLQ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000072828056 264273710 /nfs/dbraw/zinc/27/37/10/264273710.db2.gz DZSKQBWHCPQREU-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828056 264273714 /nfs/dbraw/zinc/27/37/14/264273714.db2.gz DZSKQBWHCPQREU-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000095015703 265285237 /nfs/dbraw/zinc/28/52/37/265285237.db2.gz RKCPXYJXIBEAGJ-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H](F)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351879730 274233728 /nfs/dbraw/zinc/23/37/28/274233728.db2.gz UTEYIWZSSPJUCO-SNVBAGLBSA-N 1 1 252.289 2.701 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000177913306 274302664 /nfs/dbraw/zinc/30/26/64/274302664.db2.gz FXNPNDRCBFOKOO-GHMZBOCLSA-N 1 1 292.335 2.692 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193896 274363479 /nfs/dbraw/zinc/36/34/79/274363479.db2.gz WXDQIGVGCNMSSZ-NXEZZACHSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332344265 274377404 /nfs/dbraw/zinc/37/74/04/274377404.db2.gz XTTJKWJQYOMSKJ-XFBWCDHKSA-N 1 1 289.379 2.560 20 5 CFBDMO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338785914 274591370 /nfs/dbraw/zinc/59/13/70/274591370.db2.gz BWSOZBXCHVQIJQ-UWVGGRQHSA-N 1 1 283.759 2.777 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246905842 275039869 /nfs/dbraw/zinc/03/98/69/275039869.db2.gz VSZKRRBMRDPCNR-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO CC[N@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266899465 276133596 /nfs/dbraw/zinc/13/35/96/276133596.db2.gz HVTFLEGJCRBARG-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266899465 276133597 /nfs/dbraw/zinc/13/35/97/276133597.db2.gz HVTFLEGJCRBARG-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000345149186 276250865 /nfs/dbraw/zinc/25/08/65/276250865.db2.gz NPYMQCPFZWVVCB-STQMWFEESA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345154533 276250989 /nfs/dbraw/zinc/25/09/89/276250989.db2.gz XJXVDHPWNLRQFE-NEPJUHHUSA-N 1 1 263.341 2.514 20 5 CFBDMO COC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066834297 277125565 /nfs/dbraw/zinc/12/55/65/277125565.db2.gz IPTQXDULVHCZJU-YPMHNXCESA-N 1 1 292.335 2.541 20 5 CFBDMO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000353605784 278036151 /nfs/dbraw/zinc/03/61/51/278036151.db2.gz LXSSAHTYPFOILF-CYBMUJFWSA-N 1 1 291.395 2.854 20 5 CFBDMO C[C@H](F)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621524 279390305 /nfs/dbraw/zinc/39/03/05/279390305.db2.gz QOPDDYWHLKMHMA-JTQLQIEISA-N 1 1 268.288 2.537 20 5 CFBDMO C[C@H](F)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621524 279390306 /nfs/dbraw/zinc/39/03/06/279390306.db2.gz QOPDDYWHLKMHMA-JTQLQIEISA-N 1 1 268.288 2.537 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000301554748 281012358 /nfs/dbraw/zinc/01/23/58/281012358.db2.gz IETAMMJYAKCBQM-HNNXBMFYSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268881276 281013670 /nfs/dbraw/zinc/01/36/70/281013670.db2.gz WLGATTUVSRLZAM-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000251948799 281075579 /nfs/dbraw/zinc/07/55/79/281075579.db2.gz VGPRWTPPSISDAH-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000251948799 281075581 /nfs/dbraw/zinc/07/55/81/281075581.db2.gz VGPRWTPPSISDAH-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000397980705 281203447 /nfs/dbraw/zinc/20/34/47/281203447.db2.gz MIRYWGZXLDAGNC-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1cccc(N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000364603515 281229739 /nfs/dbraw/zinc/22/97/39/281229739.db2.gz FRENCCOIJLJCFN-LBPRGKRZSA-N 1 1 286.335 2.631 20 5 CFBDMO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000519564319 281308941 /nfs/dbraw/zinc/30/89/41/281308941.db2.gz WJVCEARTPRKKGH-SRVKXCTJSA-N 1 1 263.341 2.515 20 5 CFBDMO CCc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000543876771 281658601 /nfs/dbraw/zinc/65/86/01/281658601.db2.gz CRHWHNDIMZXROJ-SNVBAGLBSA-N 1 1 286.335 2.851 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000564929519 290249948 /nfs/dbraw/zinc/24/99/48/290249948.db2.gz OEHLHTLYADJYEC-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000565430181 290301376 /nfs/dbraw/zinc/30/13/76/290301376.db2.gz CQTQJCBCMQMWMR-LBPRGKRZSA-N 1 1 293.367 2.746 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566176137 290356604 /nfs/dbraw/zinc/35/66/04/290356604.db2.gz GBWJMMZSHKBJHQ-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566176137 290356606 /nfs/dbraw/zinc/35/66/06/290356606.db2.gz GBWJMMZSHKBJHQ-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO CC/C=C\CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341308772 324123361 /nfs/dbraw/zinc/12/33/61/324123361.db2.gz AUPPXLHZAYGZBI-DHCBQETCSA-N 1 1 290.367 2.832 20 5 CFBDMO COc1ncccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581055639 325085846 /nfs/dbraw/zinc/08/58/46/325085846.db2.gz KVAMXPDXRKERNC-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1ncccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581055639 325085849 /nfs/dbraw/zinc/08/58/49/325085849.db2.gz KVAMXPDXRKERNC-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582786823 325234096 /nfs/dbraw/zinc/23/40/96/325234096.db2.gz JJXNWULYPQUQQN-HIFRSBDPSA-N 1 1 276.336 2.514 20 5 CFBDMO Cc1ccc(C[NH+]2CC(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000425350034 533915306 /nfs/dbraw/zinc/91/53/06/533915306.db2.gz DVEOMOBSHWWDEJ-UHFFFAOYSA-N 1 1 270.279 2.990 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)o2)cc1[N+](=O)[O-] ZINC000175059055 534226482 /nfs/dbraw/zinc/22/64/82/534226482.db2.gz NNGSSOMYNAPSDU-NSHDSACASA-N 1 1 290.319 2.839 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361541074 518974061 /nfs/dbraw/zinc/97/40/61/518974061.db2.gz LPXBBZBQPHLHGW-LBPRGKRZSA-N 1 1 280.372 2.549 20 5 CFBDMO CC(C)[N@@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350589 519651581 /nfs/dbraw/zinc/65/15/81/519651581.db2.gz GLUTXKVXQMCEKA-UHFFFAOYSA-N 1 1 288.351 2.702 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072858674 520255864 /nfs/dbraw/zinc/25/58/64/520255864.db2.gz BDEWQVPNXUJUIU-UONOGXRCSA-N 1 1 291.395 2.929 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000195527346 520362201 /nfs/dbraw/zinc/36/22/01/520362201.db2.gz FJKRVCQMBLBFPN-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO CCOC(=O)CCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172620967 520631693 /nfs/dbraw/zinc/63/16/93/520631693.db2.gz CJZGZMBCKNANBO-UHFFFAOYSA-N 1 1 294.351 2.760 20 5 CFBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000311749722 520677223 /nfs/dbraw/zinc/67/72/23/520677223.db2.gz URRAKYHYFIDNBC-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000311749722 520677228 /nfs/dbraw/zinc/67/72/28/520677228.db2.gz URRAKYHYFIDNBC-GFCCVEGCSA-N 1 1 284.743 2.593 20 5 CFBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049480556 521480997 /nfs/dbraw/zinc/48/09/97/521480997.db2.gz IBGMAYOQTBXUJP-UHFFFAOYSA-N 1 1 285.731 2.529 20 5 CFBDMO CCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480647 521484671 /nfs/dbraw/zinc/48/46/71/521484671.db2.gz KWBIVPAFDWTSHO-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC000223233619 521610684 /nfs/dbraw/zinc/61/06/84/521610684.db2.gz SVBJMPZOQHCESJ-UHFFFAOYSA-N 1 1 251.330 2.739 20 5 CFBDMO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553781 522932608 /nfs/dbraw/zinc/93/26/08/522932608.db2.gz SQGNKSXFXSSMNP-IUODEOHRSA-N 1 1 279.384 2.976 20 5 CFBDMO NC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000414837263 534678483 /nfs/dbraw/zinc/67/84/83/534678483.db2.gz JJGPLABZXZCFEF-OAHLLOKOSA-N 1 1 277.368 2.592 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361001082 523597828 /nfs/dbraw/zinc/59/78/28/523597828.db2.gz YLDWNNXZNKOFMQ-LLVKDONJSA-N 1 1 270.354 2.657 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000363448937 524029614 /nfs/dbraw/zinc/02/96/14/524029614.db2.gz HZPKTTBFNJNCRP-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO COc1ccc(C[NH2+]Cc2occc2C)cc1[N+](=O)[O-] ZINC000312484282 524073896 /nfs/dbraw/zinc/07/38/96/524073896.db2.gz IZYGDBISEBTENX-UHFFFAOYSA-N 1 1 276.292 2.795 20 5 CFBDMO C[C@@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363713452 525114397 /nfs/dbraw/zinc/11/43/97/525114397.db2.gz OCJYYKWHNZRDNW-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363713452 525114408 /nfs/dbraw/zinc/11/44/08/525114408.db2.gz OCJYYKWHNZRDNW-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO CSCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361584909 525498873 /nfs/dbraw/zinc/49/88/73/525498873.db2.gz OLUFQQVOYBHVJR-SNVBAGLBSA-N 1 1 254.355 2.951 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054111056 525724974 /nfs/dbraw/zinc/72/49/74/525724974.db2.gz LGYSHQXJXVVZSE-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]CCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000054111056 525724984 /nfs/dbraw/zinc/72/49/84/525724984.db2.gz LGYSHQXJXVVZSE-CYBMUJFWSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000088719022 526061637 /nfs/dbraw/zinc/06/16/37/526061637.db2.gz CEZWYMMDZNLYJT-NSHDSACASA-N 1 1 263.341 2.798 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CO ZINC000050445176 527333031 /nfs/dbraw/zinc/33/30/31/527333031.db2.gz DOBJDVQFVDKKQM-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC000050445176 527333033 /nfs/dbraw/zinc/33/30/33/527333033.db2.gz DOBJDVQFVDKKQM-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000225997064 527400754 /nfs/dbraw/zinc/40/07/54/527400754.db2.gz FHZAZHRSAOEBMZ-OAHLLOKOSA-N 1 1 284.315 2.956 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449774211 536527874 /nfs/dbraw/zinc/52/78/74/536527874.db2.gz KAFWWFVKBFGRGW-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC[C@@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423335647 529005645 /nfs/dbraw/zinc/00/56/45/529005645.db2.gz UBTAYPAZKMEGAM-GFCCVEGCSA-N 1 1 287.310 2.620 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413093552 529025629 /nfs/dbraw/zinc/02/56/29/529025629.db2.gz OIAUCHFUKMPNFP-LLVKDONJSA-N 1 1 296.346 2.661 20 5 CFBDMO COCCC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459634816 536853229 /nfs/dbraw/zinc/85/32/29/536853229.db2.gz SKYOLGUZCCXQNH-FNORWQNLSA-N 1 1 290.363 2.966 20 5 CFBDMO CC(C)(C)C(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000753745067 574074164 /nfs/dbraw/zinc/07/41/64/574074164.db2.gz DYLQQSZQPGZRKK-UHFFFAOYSA-N 1 1 290.363 2.958 20 5 CFBDMO CC(C)(C)C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000753745067 574074166 /nfs/dbraw/zinc/07/41/66/574074166.db2.gz DYLQQSZQPGZRKK-UHFFFAOYSA-N 1 1 290.363 2.958 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000755067861 574135033 /nfs/dbraw/zinc/13/50/33/574135033.db2.gz URUQFXABMPIGDZ-WCQYABFASA-N 1 1 262.309 2.588 20 5 CFBDMO CCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738320086 574164233 /nfs/dbraw/zinc/16/42/33/574164233.db2.gz NUHRNVPFVGCNFS-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738320086 574164235 /nfs/dbraw/zinc/16/42/35/574164235.db2.gz NUHRNVPFVGCNFS-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000751472636 574377707 /nfs/dbraw/zinc/37/77/07/574377707.db2.gz VJZFCNWWSHJZAK-UHFFFAOYSA-N 1 1 263.297 2.966 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913200 617814417 /nfs/dbraw/zinc/81/44/17/617814417.db2.gz RPCDSLQBNRJAQI-CYBMUJFWSA-N 1 1 293.392 2.707 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)CCC2CC2)c1[N+](=O)[O-] ZINC000892234330 618017900 /nfs/dbraw/zinc/01/79/00/618017900.db2.gz DCTVNFHQJJCIBK-UHFFFAOYSA-N 1 1 280.324 2.541 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000176332585 618059399 /nfs/dbraw/zinc/05/93/99/618059399.db2.gz ALDPJHFQIZPBBW-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219120684 618162601 /nfs/dbraw/zinc/16/26/01/618162601.db2.gz FFGKCVIJVISEIR-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO CC1(C)C[C@@H](NCc2ccccc2[N+](=O)[O-])C[C@@H]([NH3+])C1 ZINC000925592915 618280050 /nfs/dbraw/zinc/28/00/50/618280050.db2.gz IAKDWOSQNZVPGC-OLZOCXBDSA-N 1 1 277.368 2.590 20 5 CFBDMO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000925592912 618280069 /nfs/dbraw/zinc/28/00/69/618280069.db2.gz IAKDWOSQNZVPGC-CHWSQXEVSA-N 1 1 277.368 2.590 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000894149872 618400271 /nfs/dbraw/zinc/40/02/71/618400271.db2.gz WFFMRRKAZYKKLO-LLVKDONJSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1F ZINC000832348758 625294718 /nfs/dbraw/zinc/29/47/18/625294718.db2.gz RCAQDHBHBRYQDE-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581911 618931268 /nfs/dbraw/zinc/93/12/68/618931268.db2.gz OPFIKUIUKYPZCY-GXTWGEPZSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000925690039 618933807 /nfs/dbraw/zinc/93/38/07/618933807.db2.gz CZXUHHWTPGHQEI-GHMZBOCLSA-N 1 1 272.308 2.797 20 5 CFBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931395415 618960615 /nfs/dbraw/zinc/96/06/15/618960615.db2.gz QNSKSRJRIDNSJX-BETUJISGSA-N 1 1 295.770 2.527 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000092971864 618972246 /nfs/dbraw/zinc/97/22/46/618972246.db2.gz GJMREWUHLHMDSO-TZMCWYRMSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980384 619210146 /nfs/dbraw/zinc/21/01/46/619210146.db2.gz YKRNPQBOKATABF-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055864 619316540 /nfs/dbraw/zinc/31/65/40/619316540.db2.gz NQZCZUHRISYCPJ-VXGBXAGGSA-N 1 1 266.345 2.649 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000895009801 619525197 /nfs/dbraw/zinc/52/51/97/619525197.db2.gz JWDKCXAUSDEJMA-GHMZBOCLSA-N 1 1 294.351 2.929 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737279 619597420 /nfs/dbraw/zinc/59/74/20/619597420.db2.gz PCAPUGFVMMWNJK-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO C[N@H+]1CC[C@@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000895771260 619603086 /nfs/dbraw/zinc/60/30/86/619603086.db2.gz WTNLSKOVYGNDJE-SECBINFHSA-N 1 1 289.257 2.730 20 5 CFBDMO C[N@H+]1CC[C@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000895771261 619603342 /nfs/dbraw/zinc/60/33/42/619603342.db2.gz WTNLSKOVYGNDJE-VIFPVBQESA-N 1 1 289.257 2.730 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000740861705 620152397 /nfs/dbraw/zinc/15/23/97/620152397.db2.gz XYUYGKCMWSJSHN-WDEREUQCSA-N 1 1 274.324 2.632 20 5 CFBDMO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464887 620177183 /nfs/dbraw/zinc/17/71/83/620177183.db2.gz PXOKVIBPWQEIGA-RDBSUJKOSA-N 1 1 291.395 2.771 20 5 CFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565054 625417065 /nfs/dbraw/zinc/41/70/65/625417065.db2.gz NGIKUIUUUAWWNS-FZMZJTMJSA-N 1 1 278.352 2.891 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000902165830 620991612 /nfs/dbraw/zinc/99/16/12/620991612.db2.gz SJWJUBVOONYOQC-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287316 621318559 /nfs/dbraw/zinc/31/85/59/621318559.db2.gz NSWIAUXZTRSCDL-YRGRVCCFSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287316 621318561 /nfs/dbraw/zinc/31/85/61/621318561.db2.gz NSWIAUXZTRSCDL-YRGRVCCFSA-N 1 1 277.368 2.728 20 5 CFBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429292 621371004 /nfs/dbraw/zinc/37/10/04/621371004.db2.gz DIYCPTDDXHDCSJ-PWSUYJOCSA-N 1 1 297.786 2.807 20 5 CFBDMO Nc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000903947331 621485383 /nfs/dbraw/zinc/48/53/83/621485383.db2.gz QZHKMYYAIMCHNZ-UHFFFAOYSA-N 1 1 299.330 2.572 20 5 CFBDMO Nc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000903947331 621485384 /nfs/dbraw/zinc/48/53/84/621485384.db2.gz QZHKMYYAIMCHNZ-UHFFFAOYSA-N 1 1 299.330 2.572 20 5 CFBDMO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987554 621499453 /nfs/dbraw/zinc/49/94/53/621499453.db2.gz GUICYSDYIZOIET-WXHSDQCUSA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411998 621593461 /nfs/dbraw/zinc/59/34/61/621593461.db2.gz YUXCITHDBUVPSA-ZYHUDNBSSA-N 1 1 297.786 2.665 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOc1c(F)cccc1[N+](=O)[O-] ZINC000906503072 621998911 /nfs/dbraw/zinc/99/89/11/621998911.db2.gz NEBIXHSXOIQNNX-NSHDSACASA-N 1 1 282.315 2.987 20 5 CFBDMO CC[C@]1(C)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173422823 623347704 /nfs/dbraw/zinc/34/77/04/623347704.db2.gz DIULUBMAAJARRK-CQSZACIVSA-N 1 1 280.372 2.878 20 5 CFBDMO CC[C@]1(C)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173422823 623347717 /nfs/dbraw/zinc/34/77/17/623347717.db2.gz DIULUBMAAJARRK-CQSZACIVSA-N 1 1 280.372 2.878 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000827601212 624043263 /nfs/dbraw/zinc/04/32/63/624043263.db2.gz CPYLBLAUUJJNKQ-RYUDHWBXSA-N 1 1 296.754 2.717 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1F ZINC000915664544 624093026 /nfs/dbraw/zinc/09/30/26/624093026.db2.gz LRQBXYKVSGGGLK-NSHDSACASA-N 1 1 282.315 2.987 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000179543406 624966934 /nfs/dbraw/zinc/96/69/34/624966934.db2.gz BNHBJSGJEYGXKX-UHFFFAOYSA-N 1 1 274.324 2.695 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000834835376 625892895 /nfs/dbraw/zinc/89/28/95/625892895.db2.gz IBGXIVMHROIHKE-SMDDNHRTSA-N 1 1 286.335 2.895 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)C3CC3)C2)cc1 ZINC000839032283 626521335 /nfs/dbraw/zinc/52/13/35/626521335.db2.gz PSGMTNDBWBKUQK-GOEBONIOSA-N 1 1 290.363 2.545 20 5 CFBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000749320313 626540632 /nfs/dbraw/zinc/54/06/32/626540632.db2.gz LPGPRMCKFLPWPO-SNVBAGLBSA-N 1 1 297.305 2.546 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000758993780 626622426 /nfs/dbraw/zinc/62/24/26/626622426.db2.gz SJGICGCFBRZUNS-JTQLQIEISA-N 1 1 280.372 2.734 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000758993780 626622432 /nfs/dbraw/zinc/62/24/32/626622432.db2.gz SJGICGCFBRZUNS-JTQLQIEISA-N 1 1 280.372 2.734 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289362 626821729 /nfs/dbraw/zinc/82/17/29/626821729.db2.gz GJODUITUYTXYBN-SNVBAGLBSA-N 1 1 274.324 2.552 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764962406 627109434 /nfs/dbraw/zinc/10/94/34/627109434.db2.gz HYWVMFFJHMFTLT-JTQLQIEISA-N 1 1 274.324 2.552 20 5 CFBDMO CC[N@@H+](CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764991095 627110916 /nfs/dbraw/zinc/11/09/16/627110916.db2.gz QONQKCBNJDBNDC-UHFFFAOYSA-N 1 1 288.351 2.942 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765080667 627117843 /nfs/dbraw/zinc/11/78/43/627117843.db2.gz RTZMBWBXCICARU-GFCCVEGCSA-N 1 1 288.351 2.942 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636630 627152054 /nfs/dbraw/zinc/15/20/54/627152054.db2.gz SJKODPWEIBXCSX-VHSXEESVSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636630 627152063 /nfs/dbraw/zinc/15/20/63/627152063.db2.gz SJKODPWEIBXCSX-VHSXEESVSA-N 1 1 299.321 2.792 20 5 CFBDMO COC(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000851861635 634561827 /nfs/dbraw/zinc/56/18/27/634561827.db2.gz RGAKDRLWQGBUFZ-UHFFFAOYSA-N 1 1 294.351 2.568 20 5 CFBDMO CO[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000851869722 634564674 /nfs/dbraw/zinc/56/46/74/634564674.db2.gz PAAJGJGARSGONM-MRXNPFEDSA-N 1 1 290.363 2.768 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000768770274 627370539 /nfs/dbraw/zinc/37/05/39/627370539.db2.gz HLBSRYVHICTYHN-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000775679030 628054183 /nfs/dbraw/zinc/05/41/83/628054183.db2.gz LMPXDQHVFDMCCA-SECBINFHSA-N 1 1 255.343 2.553 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776271265 628124891 /nfs/dbraw/zinc/12/48/91/628124891.db2.gz JPPZANGZBWJTDW-HNNXBMFYSA-N 1 1 290.319 2.662 20 5 CFBDMO CCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579874 628160422 /nfs/dbraw/zinc/16/04/22/628160422.db2.gz PBFWLCLXIGIMHG-OAHLLOKOSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579526 628160578 /nfs/dbraw/zinc/16/05/78/628160578.db2.gz MOAWOBQTATZVPG-BXUZGUMPSA-N 1 1 290.319 2.914 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000776587110 628162403 /nfs/dbraw/zinc/16/24/03/628162403.db2.gz FCRMYSVARLLYHK-VBNZEHGJSA-N 1 1 290.363 2.893 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593500 628163247 /nfs/dbraw/zinc/16/32/47/628163247.db2.gz XBPUZTSDLYIHAQ-HIFRSBDPSA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584256 628562335 /nfs/dbraw/zinc/56/23/35/628562335.db2.gz PFATYVNSKWUBNY-FZMZJTMJSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584256 628562337 /nfs/dbraw/zinc/56/23/37/628562337.db2.gz PFATYVNSKWUBNY-FZMZJTMJSA-N 1 1 278.356 2.569 20 5 CFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980252 628594938 /nfs/dbraw/zinc/59/49/38/628594938.db2.gz FFQHFJLIVAFYIU-GOEBONIOSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679763 628733828 /nfs/dbraw/zinc/73/38/28/628733828.db2.gz RCKRELRKARCBKF-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO CCOC1CC([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805819598 628981181 /nfs/dbraw/zinc/98/11/81/628981181.db2.gz VXYITPSYWFVHEN-UHFFFAOYSA-N 1 1 282.315 2.733 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805819598 628981183 /nfs/dbraw/zinc/98/11/83/628981183.db2.gz VXYITPSYWFVHEN-UHFFFAOYSA-N 1 1 282.315 2.733 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290489 634712131 /nfs/dbraw/zinc/71/21/31/634712131.db2.gz JILHGKKEBCEYFJ-SMDDNHRTSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452252 629158212 /nfs/dbraw/zinc/15/82/12/629158212.db2.gz SBEJUGDXRCHSCZ-OQMKEHIESA-N 1 1 292.379 2.995 20 5 CFBDMO CCC[NH+](CCC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615942 629669106 /nfs/dbraw/zinc/66/91/06/629669106.db2.gz AKYDGDHSCDWHBJ-UHFFFAOYSA-N 1 1 293.323 2.582 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533463 634773325 /nfs/dbraw/zinc/77/33/25/634773325.db2.gz UWVUEALCOSQIJN-WFASDCNBSA-N 1 1 296.342 2.700 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000796540685 629932435 /nfs/dbraw/zinc/93/24/35/629932435.db2.gz VROAKWLFKCWPLV-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526831 630076969 /nfs/dbraw/zinc/07/69/69/630076969.db2.gz YMBDUPVMBUPQCF-XHDPSFHLSA-N 1 1 276.336 2.526 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000852588278 634787456 /nfs/dbraw/zinc/78/74/56/634787456.db2.gz BGGAUOVRITWPTH-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000852588278 634787462 /nfs/dbraw/zinc/78/74/62/634787462.db2.gz BGGAUOVRITWPTH-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO CCc1ccc(OC(=O)[C@H](C(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000798829996 630243101 /nfs/dbraw/zinc/24/31/01/630243101.db2.gz RVNTZPOZFINQRM-AWEZNQCLSA-N 1 1 294.351 2.649 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2Cc3ccccc3C2)c1 ZINC000800848649 630411043 /nfs/dbraw/zinc/41/10/43/630411043.db2.gz WAVOYKMXLFTOCI-UHFFFAOYSA-N 1 1 298.346 2.605 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCOC1 ZINC000801509939 630451994 /nfs/dbraw/zinc/45/19/94/630451994.db2.gz BRXWBMRGWOAATO-LBPRGKRZSA-N 1 1 282.315 2.592 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000801520918 630452431 /nfs/dbraw/zinc/45/24/31/630452431.db2.gz KLHACFIEIHCQLK-TZMCWYRMSA-N 1 1 294.326 2.735 20 5 CFBDMO CC(C)CC1(C)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000808231559 630969598 /nfs/dbraw/zinc/96/95/98/630969598.db2.gz JWWOUPNPEGHICB-UHFFFAOYSA-N 1 1 280.372 2.897 20 5 CFBDMO CC(C)(C)C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840149444 631057646 /nfs/dbraw/zinc/05/76/46/631057646.db2.gz IOHRJHSYYSWLLH-LLVKDONJSA-N 1 1 266.345 2.507 20 5 CFBDMO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028042 631309245 /nfs/dbraw/zinc/30/92/45/631309245.db2.gz JZQXQYXLNKHPMP-DGCLKSJQSA-N 1 1 297.786 2.855 20 5 CFBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841693209 631453366 /nfs/dbraw/zinc/45/33/66/631453366.db2.gz TYMOIQLRLCGJEV-RYUDHWBXSA-N 1 1 280.372 2.895 20 5 CFBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000811821879 631628219 /nfs/dbraw/zinc/62/82/19/631628219.db2.gz UEZWBYGCQXPMHU-CABCVRRESA-N 1 1 290.363 2.749 20 5 CFBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635234 631688993 /nfs/dbraw/zinc/68/89/93/631688993.db2.gz LAQSRGGXLBWQQO-TZMCWYRMSA-N 1 1 292.383 2.897 20 5 CFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000812908206 631805647 /nfs/dbraw/zinc/80/56/47/631805647.db2.gz HCQBGHSHIWYYFG-CYBMUJFWSA-N 1 1 296.367 2.721 20 5 CFBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000815162059 632220915 /nfs/dbraw/zinc/22/09/15/632220915.db2.gz CBTMVOSHVNJDKR-IUCAKERBSA-N 1 1 261.281 2.576 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000815162059 632220924 /nfs/dbraw/zinc/22/09/24/632220924.db2.gz CBTMVOSHVNJDKR-IUCAKERBSA-N 1 1 261.281 2.576 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000815164019 632221429 /nfs/dbraw/zinc/22/14/29/632221429.db2.gz UBFPCTPINALPGM-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000815164019 632221431 /nfs/dbraw/zinc/22/14/31/632221431.db2.gz UBFPCTPINALPGM-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000815583190 632292135 /nfs/dbraw/zinc/29/21/35/632292135.db2.gz YYFWDBIOTKSXFQ-VIFPVBQESA-N 1 1 290.323 2.578 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC=CCC2)c1 ZINC000848483777 633264769 /nfs/dbraw/zinc/26/47/69/633264769.db2.gz QUUNMRCVFBJTHO-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC=CCC2)c1 ZINC000848483777 633264775 /nfs/dbraw/zinc/26/47/75/633264775.db2.gz QUUNMRCVFBJTHO-UHFFFAOYSA-N 1 1 284.319 2.678 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491898 633266428 /nfs/dbraw/zinc/26/64/28/633266428.db2.gz ZWQKMGCZPZKFCM-ZDUSSCGKSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848491898 633266430 /nfs/dbraw/zinc/26/64/30/633266430.db2.gz ZWQKMGCZPZKFCM-ZDUSSCGKSA-N 1 1 286.335 2.900 20 5 CFBDMO Cc1c(CO[NH+]=C(N)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000848523121 633276222 /nfs/dbraw/zinc/27/62/22/633276222.db2.gz YNBQHFAPQPCKFU-LDYMZIIASA-N 1 1 263.297 2.558 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000848554600 633288094 /nfs/dbraw/zinc/28/80/94/633288094.db2.gz XPRKRUVQOZSVRO-QWHCGFSZSA-N 1 1 284.319 2.513 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853575021 635038970 /nfs/dbraw/zinc/03/89/70/635038970.db2.gz XIDVZXPGZCWXQD-STQMWFEESA-N 1 1 298.346 2.758 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000853746350 635091565 /nfs/dbraw/zinc/09/15/65/635091565.db2.gz IAKMPGZHCYALLE-GFCCVEGCSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1Cl ZINC000860130797 636795803 /nfs/dbraw/zinc/79/58/03/636795803.db2.gz KNURUMWYRMBIGA-ZLKJLUDKSA-N 1 1 296.754 2.593 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119000969 637457580 /nfs/dbraw/zinc/45/75/80/637457580.db2.gz SSXZMWRGMJRJNQ-CYBMUJFWSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000863677803 637741735 /nfs/dbraw/zinc/74/17/35/637741735.db2.gz LMZDWVXBZPGOPM-QMMMGPOBSA-N 1 1 280.284 2.674 20 5 CFBDMO CCc1[nH+]c(C)cn1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000865393345 638304652 /nfs/dbraw/zinc/30/46/52/638304652.db2.gz RUNYKTMVGAQRLM-UHFFFAOYSA-N 1 1 281.262 2.989 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1[N+](=O)[O-] ZINC000865788137 638574692 /nfs/dbraw/zinc/57/46/92/638574692.db2.gz ZPRBWKZCDNJRRL-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)CCC1(C)C ZINC000866114860 638743765 /nfs/dbraw/zinc/74/37/65/638743765.db2.gz RPMFGPGADYJTEF-UHFFFAOYSA-N 1 1 269.370 2.577 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000866194044 638767151 /nfs/dbraw/zinc/76/71/51/638767151.db2.gz GDVLDWMQCYVKMZ-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000866194044 638767152 /nfs/dbraw/zinc/76/71/52/638767152.db2.gz GDVLDWMQCYVKMZ-CQSZACIVSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207717 638770453 /nfs/dbraw/zinc/77/04/53/638770453.db2.gz JDYATYMFMBMXQR-PWSUYJOCSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207954 638770898 /nfs/dbraw/zinc/77/08/98/638770898.db2.gz RYJRNHUYSPJNPO-PWSUYJOCSA-N 1 1 295.770 2.779 20 5 CFBDMO CC[C@H](C[C@@H](C)O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000866303986 638793111 /nfs/dbraw/zinc/79/31/11/638793111.db2.gz SJCDBAKYNHVRGJ-GHMZBOCLSA-N 1 1 289.335 2.526 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000866540291 638839025 /nfs/dbraw/zinc/83/90/25/638839025.db2.gz YBSCPHJQQOAEQL-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025942 641556253 /nfs/dbraw/zinc/55/62/53/641556253.db2.gz WBBGXIZRNZPQOG-VXGBXAGGSA-N 1 1 295.358 2.726 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)C1 ZINC000872030814 641560841 /nfs/dbraw/zinc/56/08/41/641560841.db2.gz CPBUTQHVRZUHGU-WDEREUQCSA-N 1 1 295.408 2.671 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)C1 ZINC000872030814 641560845 /nfs/dbraw/zinc/56/08/45/641560845.db2.gz CPBUTQHVRZUHGU-WDEREUQCSA-N 1 1 295.408 2.671 20 5 CFBDMO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036324 641568278 /nfs/dbraw/zinc/56/82/78/641568278.db2.gz RKHBWRUDVJEPMF-VXGBXAGGSA-N 1 1 295.358 2.726 20 5 CFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780724 641934621 /nfs/dbraw/zinc/93/46/21/641934621.db2.gz MTYCVWKWAVLUJW-RYUDHWBXSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781389 641936380 /nfs/dbraw/zinc/93/63/80/641936380.db2.gz SMXKJZCNSLVVME-QWHCGFSZSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000873044425 641993864 /nfs/dbraw/zinc/99/38/64/641993864.db2.gz NCDDYSRBKPXOOJ-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO Cc1cc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873080913 642007682 /nfs/dbraw/zinc/00/76/82/642007682.db2.gz VZUVIONKVOWTAQ-SNVBAGLBSA-N 1 1 288.351 2.656 20 5 CFBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000195311064 650746046 /nfs/dbraw/zinc/74/60/46/650746046.db2.gz BRTGNASBILCOLM-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000195311064 650746047 /nfs/dbraw/zinc/74/60/47/650746047.db2.gz BRTGNASBILCOLM-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000876751413 642994235 /nfs/dbraw/zinc/99/42/35/642994235.db2.gz YPAOCOQGXIHKOK-JSGCOSHPSA-N 1 1 292.379 2.947 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000877022729 643108259 /nfs/dbraw/zinc/10/82/59/643108259.db2.gz QWPSHZFALFOHCY-GFCCVEGCSA-N 1 1 292.335 2.626 20 5 CFBDMO CCc1ccc[nH+]c1NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877161878 643183177 /nfs/dbraw/zinc/18/31/77/643183177.db2.gz SJOHMSMAQGAKPP-UHFFFAOYSA-N 1 1 287.323 2.564 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877691923 643458150 /nfs/dbraw/zinc/45/81/50/643458150.db2.gz XNZSWPQXRVRRRZ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000877719108 643483608 /nfs/dbraw/zinc/48/36/08/643483608.db2.gz IIAGWGNNSDFHFP-OKILXGFUSA-N 1 1 258.321 2.993 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877736679 643495061 /nfs/dbraw/zinc/49/50/61/643495061.db2.gz ANAZOCNEWTWFDZ-STQMWFEESA-N 1 1 278.377 2.780 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000877753592 643533130 /nfs/dbraw/zinc/53/31/30/643533130.db2.gz HIUDXZJYLKNVDV-UHFFFAOYSA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877754270 643534071 /nfs/dbraw/zinc/53/40/71/643534071.db2.gz ZPXGBPHJGRQYAV-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877754270 643534073 /nfs/dbraw/zinc/53/40/73/643534073.db2.gz ZPXGBPHJGRQYAV-LLVKDONJSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247186986 650899538 /nfs/dbraw/zinc/89/95/38/650899538.db2.gz SJYOHVZHORUDHY-GHMZBOCLSA-N 1 1 280.372 2.876 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000879322520 644227576 /nfs/dbraw/zinc/22/75/76/644227576.db2.gz WLFSFIMLBBNETE-AAEUAGOBSA-N 1 1 294.351 2.603 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322288 644227850 /nfs/dbraw/zinc/22/78/50/644227850.db2.gz UKWKQHQBMASILZ-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322288 644227853 /nfs/dbraw/zinc/22/78/53/644227853.db2.gz UKWKQHQBMASILZ-ZWNOBZJWSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000879600966 644345778 /nfs/dbraw/zinc/34/57/78/644345778.db2.gz IXNWGVBVHNWKMG-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000879684065 644378268 /nfs/dbraw/zinc/37/82/68/644378268.db2.gz FMIJDWXJUFUPPS-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237414 644600592 /nfs/dbraw/zinc/60/05/92/644600592.db2.gz BSAKPMQAWUQAPQ-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237414 644600596 /nfs/dbraw/zinc/60/05/96/644600596.db2.gz BSAKPMQAWUQAPQ-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880293056 644632073 /nfs/dbraw/zinc/63/20/73/644632073.db2.gz CYWNSZUUNGLAQH-NSHDSACASA-N 1 1 282.315 2.785 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880294487 644632909 /nfs/dbraw/zinc/63/29/09/644632909.db2.gz BSKMOWWTIRGBPP-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880294487 644632913 /nfs/dbraw/zinc/63/29/13/644632913.db2.gz BSKMOWWTIRGBPP-SECBINFHSA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880295771 644634899 /nfs/dbraw/zinc/63/48/99/644634899.db2.gz OTHWQXXWNJHZPD-LBPRGKRZSA-N 1 1 282.315 2.655 20 5 CFBDMO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000882547359 645365610 /nfs/dbraw/zinc/36/56/10/645365610.db2.gz LLZJHEPMDQMFPH-CMPLNLGQSA-N 1 1 294.330 2.558 20 5 CFBDMO CC(C)CC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130674177 645546602 /nfs/dbraw/zinc/54/66/02/645546602.db2.gz MQWCZPFVCIEVIU-GFCCVEGCSA-N 1 1 266.345 2.649 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000305308942 651057766 /nfs/dbraw/zinc/05/77/66/651057766.db2.gz JBCYQDSVCOSWKC-BXUZGUMPSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000885973703 646791076 /nfs/dbraw/zinc/79/10/76/646791076.db2.gz YYBZCYVMNOKJRG-UHFFFAOYSA-N 1 1 261.325 2.610 20 5 CFBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000886065025 646850752 /nfs/dbraw/zinc/85/07/52/646850752.db2.gz NQLHBWWSRXMRLL-AWEZNQCLSA-N 1 1 293.367 2.771 20 5 CFBDMO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000886065025 646850754 /nfs/dbraw/zinc/85/07/54/646850754.db2.gz NQLHBWWSRXMRLL-AWEZNQCLSA-N 1 1 293.367 2.771 20 5 CFBDMO CC[C@H](CSC)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105128 646874072 /nfs/dbraw/zinc/87/40/72/646874072.db2.gz SNXYZRQGOGGNMN-LLVKDONJSA-N 1 1 269.370 2.563 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886125187 646882999 /nfs/dbraw/zinc/88/29/99/646882999.db2.gz KUFDFNAPYSIKKO-LBPRGKRZSA-N 1 1 263.341 2.858 20 5 CFBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181778 646910962 /nfs/dbraw/zinc/91/09/62/646910962.db2.gz TZVWLXFMDPQDHW-PSASIEDQSA-N 1 1 289.257 2.763 20 5 CFBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181778 646910964 /nfs/dbraw/zinc/91/09/64/646910964.db2.gz TZVWLXFMDPQDHW-PSASIEDQSA-N 1 1 289.257 2.763 20 5 CFBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886203004 646918438 /nfs/dbraw/zinc/91/84/38/646918438.db2.gz JRGGVJWZDAVYOO-GXTWGEPZSA-N 1 1 293.367 2.505 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000886217727 646925767 /nfs/dbraw/zinc/92/57/67/646925767.db2.gz GNUHFRZUMFJCNV-UHFFFAOYSA-N 1 1 296.330 2.674 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000886217727 646925771 /nfs/dbraw/zinc/92/57/71/646925771.db2.gz GNUHFRZUMFJCNV-UHFFFAOYSA-N 1 1 296.330 2.674 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000886249643 646936822 /nfs/dbraw/zinc/93/68/22/646936822.db2.gz PKDZASZKYZSZFY-LBPRGKRZSA-N 1 1 261.325 2.612 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000886270683 646943228 /nfs/dbraw/zinc/94/32/28/646943228.db2.gz KCCMPEAUGCRVFE-CQSZACIVSA-N 1 1 291.351 2.523 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000886270683 646943229 /nfs/dbraw/zinc/94/32/29/646943229.db2.gz KCCMPEAUGCRVFE-CQSZACIVSA-N 1 1 291.351 2.523 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886674834 647104856 /nfs/dbraw/zinc/10/48/56/647104856.db2.gz SEAOIAACJGBJPI-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000923891086 647905642 /nfs/dbraw/zinc/90/56/42/647905642.db2.gz CKTHUBSWSZTBDB-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000923891086 647905647 /nfs/dbraw/zinc/90/56/47/647905647.db2.gz CKTHUBSWSZTBDB-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923888215 647905869 /nfs/dbraw/zinc/90/58/69/647905869.db2.gz YEJFJKXMZHIOGO-SECBINFHSA-N 1 1 276.296 2.576 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925310689 648155020 /nfs/dbraw/zinc/15/50/20/648155020.db2.gz OQKYUBXYTXSCGK-HOCLYGCPSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925310689 648155024 /nfs/dbraw/zinc/15/50/24/648155024.db2.gz OQKYUBXYTXSCGK-HOCLYGCPSA-N 1 1 289.379 2.701 20 5 CFBDMO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000925597333 648232983 /nfs/dbraw/zinc/23/29/83/648232983.db2.gz YIIUOWMSXSLRNZ-CHWSQXEVSA-N 1 1 277.368 2.590 20 5 CFBDMO C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925675231 648274635 /nfs/dbraw/zinc/27/46/35/648274635.db2.gz MKNFFIOTRSWFKC-LEWSCRJBSA-N 1 1 275.352 2.515 20 5 CFBDMO O=[N+]([O-])CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000929895340 649145905 /nfs/dbraw/zinc/14/59/05/649145905.db2.gz ZEOHVXXBPJAYGG-UHFFFAOYSA-N 1 1 275.135 2.849 20 5 CFBDMO O=[N+]([O-])CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000929959005 649156134 /nfs/dbraw/zinc/15/61/34/649156134.db2.gz MQSKZBCMPJHFTH-UHFFFAOYSA-N 1 1 274.242 2.561 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432668 649425282 /nfs/dbraw/zinc/42/52/82/649425282.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432668 649425293 /nfs/dbraw/zinc/42/52/93/649425293.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432668 649425296 /nfs/dbraw/zinc/42/52/96/649425296.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 1 1 289.379 2.539 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123366 649752263 /nfs/dbraw/zinc/75/22/63/649752263.db2.gz AFXYKSOAWHOEIZ-ZLKJLUDKSA-N 1 1 264.325 2.765 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133428 649754485 /nfs/dbraw/zinc/75/44/85/649754485.db2.gz YWSUBSBSVCUMLK-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934133428 649754489 /nfs/dbraw/zinc/75/44/89/649754489.db2.gz YWSUBSBSVCUMLK-CHWSQXEVSA-N 1 1 284.743 2.857 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000305725304 651073414 /nfs/dbraw/zinc/07/34/14/651073414.db2.gz GJMREWUHLHMDSO-GXTWGEPZSA-N 1 1 278.352 2.639 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCCCCC1)C2 ZINC001167549823 770886105 /nfs/dbraw/zinc/88/61/05/770886105.db2.gz QLCOTBRVILLSFN-UHFFFAOYSA-N 1 1 290.363 2.996 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCCCCC1)C2 ZINC001167549823 770886113 /nfs/dbraw/zinc/88/61/13/770886113.db2.gz QLCOTBRVILLSFN-UHFFFAOYSA-N 1 1 290.363 2.996 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703936 775254200 /nfs/dbraw/zinc/25/42/00/775254200.db2.gz VRLDKEVXCUPAKT-HZPDHXFCSA-N 1 1 290.363 2.563 20 5 CFBDMO COc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001225436702 775456103 /nfs/dbraw/zinc/45/61/03/775456103.db2.gz YGLGJYURQXSCEG-PTEHBNRSSA-N 1 1 292.335 2.607 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579453 775509105 /nfs/dbraw/zinc/50/91/05/775509105.db2.gz UGGQFOCEKORUJE-LLVKDONJSA-N 1 1 268.288 2.595 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225613097 775524054 /nfs/dbraw/zinc/52/40/54/775524054.db2.gz MYQVNAIXVNEMJZ-PJXYFTJBSA-N 1 1 292.335 2.607 20 5 CFBDMO O=[N+]([O-])c1ncccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225628452 775531833 /nfs/dbraw/zinc/53/18/33/775531833.db2.gz NCCNWQNNRBOBIO-CQSZACIVSA-N 1 1 299.330 2.643 20 5 CFBDMO Cc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001225632732 775533410 /nfs/dbraw/zinc/53/34/10/775533410.db2.gz NYHZBKNPSPVVLN-CLLJXQQHSA-N 1 1 276.336 2.907 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CO)CC2)ccc1Cl ZINC000293090859 775555112 /nfs/dbraw/zinc/55/51/12/775555112.db2.gz KIRTZEWCWDBFPT-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001225683029 775556541 /nfs/dbraw/zinc/55/65/41/775556541.db2.gz PHCBUFKPMISTOI-LBPRGKRZSA-N 1 1 264.325 2.765 20 5 CFBDMO COc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001225769966 775587272 /nfs/dbraw/zinc/58/72/72/775587272.db2.gz QKHFNBLEHSDGIO-PTEHBNRSSA-N 1 1 292.335 2.607 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778707 775590037 /nfs/dbraw/zinc/59/00/37/775590037.db2.gz JRNMTOSOERMPGZ-VIFPVBQESA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226007356 775666220 /nfs/dbraw/zinc/66/62/20/775666220.db2.gz NALIWIWPHBNURB-SNVBAGLBSA-N 1 1 268.288 2.597 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([N+](=O)[O-])ccc1F ZINC001226269994 775763113 /nfs/dbraw/zinc/76/31/13/775763113.db2.gz LTVKDVODUDOFMC-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])ccc1F ZINC001226269992 775763488 /nfs/dbraw/zinc/76/34/88/775763488.db2.gz LTVKDVODUDOFMC-HBYGRHMLSA-N 1 1 294.326 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001228000517 776355715 /nfs/dbraw/zinc/35/57/15/776355715.db2.gz MBEOAPKJCWZPOZ-LBPRGKRZSA-N 1 1 282.727 2.721 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167784995 776370179 /nfs/dbraw/zinc/37/01/79/776370179.db2.gz GPYHZNXIHISOBU-UHFFFAOYSA-N 1 1 293.714 2.541 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135279 776405708 /nfs/dbraw/zinc/40/57/08/776405708.db2.gz DEQKDRLSUPVTJM-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO CC[N@@H+]1CCC[C@@H](Oc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228972308 776674743 /nfs/dbraw/zinc/67/47/43/776674743.db2.gz YUKLNYPARCWOLL-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228972308 776674750 /nfs/dbraw/zinc/67/47/50/776674750.db2.gz YUKLNYPARCWOLL-GFCCVEGCSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@@H+]1CCC[C@H](Oc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228972309 776674790 /nfs/dbraw/zinc/67/47/90/776674790.db2.gz YUKLNYPARCWOLL-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228972309 776674793 /nfs/dbraw/zinc/67/47/93/776674793.db2.gz YUKLNYPARCWOLL-LBPRGKRZSA-N 1 1 292.335 2.661 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376880 776794324 /nfs/dbraw/zinc/79/43/24/776794324.db2.gz MUSRZHIBUXVFRA-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229882524 776909357 /nfs/dbraw/zinc/90/93/57/776909357.db2.gz OHUKLNXEBIHGSM-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229882526 776909894 /nfs/dbraw/zinc/90/98/94/776909894.db2.gz OHUKLNXEBIHGSM-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040929 776948147 /nfs/dbraw/zinc/94/81/47/776948147.db2.gz PRATXWNEGYEBOW-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040929 776948155 /nfs/dbraw/zinc/94/81/55/776948155.db2.gz PRATXWNEGYEBOW-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@@H+]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768299 777059482 /nfs/dbraw/zinc/05/94/82/777059482.db2.gz JMGQMDOWDRQZLT-MRVPVSSYSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768299 777059484 /nfs/dbraw/zinc/05/94/84/777059484.db2.gz JMGQMDOWDRQZLT-MRVPVSSYSA-N 1 1 291.134 2.985 20 5 CFBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001231059589 777128847 /nfs/dbraw/zinc/12/88/47/777128847.db2.gz IXWUAINPAMDIDJ-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217857 777479928 /nfs/dbraw/zinc/47/99/28/777479928.db2.gz AIRVWMGKTFHLNW-MLGOLLRUSA-N 1 1 293.370 2.738 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226254728 777488685 /nfs/dbraw/zinc/48/86/85/777488685.db2.gz CYBJPCFFTHDRAN-JTQLQIEISA-N 1 1 285.731 2.505 20 5 CFBDMO CCn1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000688495594 777795616 /nfs/dbraw/zinc/79/56/16/777795616.db2.gz MLCCQHPOSQWHCT-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770895 778073365 /nfs/dbraw/zinc/07/33/65/778073365.db2.gz RZGLUZONOWJNHE-SECBINFHSA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1cc(F)c(O[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234059186 778155090 /nfs/dbraw/zinc/15/50/90/778155090.db2.gz JCYGEFUNHKJXFQ-NSHDSACASA-N 1 1 282.315 2.904 20 5 CFBDMO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000697543124 778354327 /nfs/dbraw/zinc/35/43/27/778354327.db2.gz KNXDRBLUDWJQSH-UHFFFAOYSA-N 1 1 270.716 2.517 20 5 CFBDMO C[C@H](O[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019829 778396907 /nfs/dbraw/zinc/39/69/07/778396907.db2.gz MVJPJQKTRPSABN-SMDDNHRTSA-N 1 1 264.325 2.767 20 5 CFBDMO C[N+](C)(C)CCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224775947 778681443 /nfs/dbraw/zinc/68/14/43/778681443.db2.gz QDGQXKDCAXXCLQ-INIZCTEOSA-N 1 1 297.850 2.637 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000138949545 778902799 /nfs/dbraw/zinc/90/27/99/778902799.db2.gz GLPDZZHRXZKRBU-NXEZZACHSA-N 1 1 260.297 2.730 20 5 CFBDMO C[N@H+](CCOCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000176381556 779118614 /nfs/dbraw/zinc/11/86/14/779118614.db2.gz UTVKWYKWELVAKC-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@@H+](CCOCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000176381556 779118617 /nfs/dbraw/zinc/11/86/17/779118617.db2.gz UTVKWYKWELVAKC-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000700379460 780682942 /nfs/dbraw/zinc/68/29/42/780682942.db2.gz WPYANCQKMZRRPS-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000700379460 780682949 /nfs/dbraw/zinc/68/29/49/780682949.db2.gz WPYANCQKMZRRPS-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1CO ZINC000700376489 780683898 /nfs/dbraw/zinc/68/38/98/780683898.db2.gz MESHQVQEMLQWLW-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1CO ZINC000700376489 780683901 /nfs/dbraw/zinc/68/39/01/780683901.db2.gz MESHQVQEMLQWLW-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1F ZINC000699208056 781517142 /nfs/dbraw/zinc/51/71/42/781517142.db2.gz OSICDZPQFHSTLT-QWRGUYRKSA-N 1 1 250.273 2.576 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000594505489 349433797 /nfs/dbraw/zinc/43/37/97/349433797.db2.gz WRYRCMOCIMFPFB-RISCZKNCSA-N 1 1 286.335 2.977 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124337211 187133034 /nfs/dbraw/zinc/13/30/34/187133034.db2.gz AWHLBORRIRSFOZ-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592288 349454111 /nfs/dbraw/zinc/45/41/11/349454111.db2.gz PFSIDTADKSFAPF-RWMBFGLXSA-N 1 1 293.367 2.504 20 5 CFBDMO Cc1ccc(-c2noc(C[N@@H+](C)C(C)C)n2)cc1[N+](=O)[O-] ZINC000273854686 192336014 /nfs/dbraw/zinc/33/60/14/192336014.db2.gz RCAZTKACSMLLOE-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO Cc1ccc(-c2noc(C[N@H+](C)C(C)C)n2)cc1[N+](=O)[O-] ZINC000273854686 192336016 /nfs/dbraw/zinc/33/60/16/192336016.db2.gz RCAZTKACSMLLOE-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594993942 349541247 /nfs/dbraw/zinc/54/12/47/349541247.db2.gz CQLLGVDNYZLSSW-NEPJUHHUSA-N 1 1 270.716 2.515 20 5 CFBDMO C[C@H](O)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000595008453 349547099 /nfs/dbraw/zinc/54/70/99/349547099.db2.gz SYSHQXJPZKNTBA-HZMBPMFUSA-N 1 1 292.360 2.868 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000595008433 349547421 /nfs/dbraw/zinc/54/74/21/349547421.db2.gz SMMPGPUQYJBKOV-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000595033033 349557770 /nfs/dbraw/zinc/55/77/70/349557770.db2.gz ADOWZPDHABYEAT-NXEZZACHSA-N 1 1 290.323 2.738 20 5 CFBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595323354 349602636 /nfs/dbraw/zinc/60/26/36/349602636.db2.gz YJPWOOINCUBPDZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595323354 349602638 /nfs/dbraw/zinc/60/26/38/349602638.db2.gz YJPWOOINCUBPDZ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595330415 349603484 /nfs/dbraw/zinc/60/34/84/349603484.db2.gz AUZVGJKCTISCJJ-NSHDSACASA-N 1 1 267.329 2.759 20 5 CFBDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331939 349603552 /nfs/dbraw/zinc/60/35/52/349603552.db2.gz ZGBYKAFLEXISPC-WDEREUQCSA-N 1 1 299.396 2.997 20 5 CFBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331939 349603554 /nfs/dbraw/zinc/60/35/54/349603554.db2.gz ZGBYKAFLEXISPC-WDEREUQCSA-N 1 1 299.396 2.997 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595336550 349604169 /nfs/dbraw/zinc/60/41/69/349604169.db2.gz ZSZATROKOHKVHG-IUCAKERBSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[NH+]2CCC(OCC(C)C)CC2)c1[N+](=O)[O-] ZINC000595292934 349594146 /nfs/dbraw/zinc/59/41/46/349594146.db2.gz GBZFYEMSBGWVLA-UHFFFAOYSA-N 1 1 297.355 2.528 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595345148 349606411 /nfs/dbraw/zinc/60/64/11/349606411.db2.gz PHZHBONLOLVSKD-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595345148 349606413 /nfs/dbraw/zinc/60/64/13/349606413.db2.gz PHZHBONLOLVSKD-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595348606 349608608 /nfs/dbraw/zinc/60/86/08/349608608.db2.gz UEZFAHHKDILKJY-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1noc(C[N@H+](CC2CC2)C(C)C)c1[N+](=O)[O-] ZINC000595355593 349609664 /nfs/dbraw/zinc/60/96/64/349609664.db2.gz CTLQJFMKQNNPCN-UHFFFAOYSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595339968 349605521 /nfs/dbraw/zinc/60/55/21/349605521.db2.gz SEELDXDBEOWSJL-ZYHUDNBSSA-N 1 1 297.380 2.751 20 5 CFBDMO Cc1noc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595339968 349605524 /nfs/dbraw/zinc/60/55/24/349605524.db2.gz SEELDXDBEOWSJL-ZYHUDNBSSA-N 1 1 297.380 2.751 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000595391623 349615093 /nfs/dbraw/zinc/61/50/93/349615093.db2.gz OBAKZTABJBSUDJ-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000595422489 349620587 /nfs/dbraw/zinc/62/05/87/349620587.db2.gz HKWFDKBTWRMRGE-UPJWGTAASA-N 1 1 287.363 2.784 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428051 349623406 /nfs/dbraw/zinc/62/34/06/349623406.db2.gz ZIFBASAHSANOEJ-QMTHXVAHSA-N 1 1 279.340 2.903 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595456783 349632638 /nfs/dbraw/zinc/63/26/38/349632638.db2.gz GFGWTOHOHCCTOT-WCABBAIRSA-N 1 1 267.329 2.758 20 5 CFBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCC1 ZINC000595465292 349634974 /nfs/dbraw/zinc/63/49/74/349634974.db2.gz BQLCLKTYKIFUOG-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595519721 349649007 /nfs/dbraw/zinc/64/90/07/349649007.db2.gz BTVBBLCXINZPMC-ABAIWWIYSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595521990 349650192 /nfs/dbraw/zinc/65/01/92/349650192.db2.gz HLBQFYNHMIMGAK-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c1[N+](=O)[O-] ZINC000595510094 349647051 /nfs/dbraw/zinc/64/70/51/349647051.db2.gz JZJCLOHUGBLDOC-IUCAKERBSA-N 1 1 290.323 2.507 20 5 CFBDMO CC[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595537012 349653937 /nfs/dbraw/zinc/65/39/37/349653937.db2.gz ZXDSWUVRKWPCND-NSHDSACASA-N 1 1 283.397 2.572 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595592957 349667922 /nfs/dbraw/zinc/66/79/22/349667922.db2.gz LVQJTSHTRWNUDI-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671857 349695793 /nfs/dbraw/zinc/69/57/93/349695793.db2.gz XAUIXNLWYGCFAW-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595680008 349697949 /nfs/dbraw/zinc/69/79/49/349697949.db2.gz GCABWUQLDIRWQZ-ZDUSSCGKSA-N 1 1 290.363 2.781 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595701181 349709523 /nfs/dbraw/zinc/70/95/23/349709523.db2.gz RAVDKSSEIXLWGK-OCCSQVGLSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595706944 349712089 /nfs/dbraw/zinc/71/20/89/349712089.db2.gz ZECMEZGIRNBDLV-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835040 349747348 /nfs/dbraw/zinc/74/73/48/349747348.db2.gz UIWJOFUDXVFBGO-NEPJUHHUSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835775 349748461 /nfs/dbraw/zinc/74/84/61/349748461.db2.gz VGTWWKIRVGXKST-FRRDWIJNSA-N 1 1 276.336 2.624 20 5 CFBDMO CC12CC(C1)C[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595914547 349767573 /nfs/dbraw/zinc/76/75/73/349767573.db2.gz BRDSMXNAMWKNQI-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO CC12CC(C1)C[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595914547 349767579 /nfs/dbraw/zinc/76/75/79/349767579.db2.gz BRDSMXNAMWKNQI-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596049482 349780879 /nfs/dbraw/zinc/78/08/79/349780879.db2.gz IVIOHUHVJJOJIG-JTQLQIEISA-N 1 1 269.370 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596090339 349792284 /nfs/dbraw/zinc/79/22/84/349792284.db2.gz BYWUIKBHFIJCIG-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072597110 346931840 /nfs/dbraw/zinc/93/18/40/346931840.db2.gz NHCZRXTYETZTJC-LBPRGKRZSA-N 1 1 288.351 2.911 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072597110 346931843 /nfs/dbraw/zinc/93/18/43/346931843.db2.gz NHCZRXTYETZTJC-LBPRGKRZSA-N 1 1 288.351 2.911 20 5 CFBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072633196 346933301 /nfs/dbraw/zinc/93/33/01/346933301.db2.gz SAJFCGFOEPVOJH-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO Cc1cccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000153124777 136394490 /nfs/dbraw/zinc/39/44/90/136394490.db2.gz GHBSEMJBQAPSNY-UHFFFAOYSA-N 1 1 298.346 2.625 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128025026 187347106 /nfs/dbraw/zinc/34/71/06/187347106.db2.gz VLWGKEZBCGNAJK-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596269266 349848184 /nfs/dbraw/zinc/84/81/84/349848184.db2.gz PWTMUQDXESYSOG-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596308535 349859155 /nfs/dbraw/zinc/85/91/55/349859155.db2.gz UGVKJJWUSMDURT-JTQLQIEISA-N 1 1 298.774 2.928 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596308856 349859170 /nfs/dbraw/zinc/85/91/70/349859170.db2.gz WYMGUIWWQGOMAG-LLVKDONJSA-N 1 1 278.356 2.522 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596309532 349860261 /nfs/dbraw/zinc/86/02/61/349860261.db2.gz UAEDGYTXLAJYRW-LLVKDONJSA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000074767346 347031564 /nfs/dbraw/zinc/03/15/64/347031564.db2.gz ZWJBSRYJYMHJNL-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000596481054 349915287 /nfs/dbraw/zinc/91/52/87/349915287.db2.gz WNMGRILLIVFBJJ-SNVBAGLBSA-N 1 1 296.396 2.870 20 5 CFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000029911988 346284654 /nfs/dbraw/zinc/28/46/54/346284654.db2.gz RLLDUSHVYFKGGJ-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000029911988 346284657 /nfs/dbraw/zinc/28/46/57/346284657.db2.gz RLLDUSHVYFKGGJ-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000030148766 346286713 /nfs/dbraw/zinc/28/67/13/346286713.db2.gz YYKANVNDNCCRRU-LBPRGKRZSA-N 1 1 293.367 2.818 20 5 CFBDMO Cc1nccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038037530 346336845 /nfs/dbraw/zinc/33/68/45/346336845.db2.gz KSQCTTIOXKNAGB-SNVBAGLBSA-N 1 1 272.308 2.544 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000046092594 346419675 /nfs/dbraw/zinc/41/96/75/346419675.db2.gz MEWCYBLHGXJHIZ-ZDUSSCGKSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000596651951 349968796 /nfs/dbraw/zinc/96/87/96/349968796.db2.gz DCQUFEVXSOVGJK-TZMCWYRMSA-N 1 1 279.384 2.927 20 5 CFBDMO Cc1c([C@H](C)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000596651250 349968875 /nfs/dbraw/zinc/96/88/75/349968875.db2.gz DCQUFEVXSOVGJK-GXTWGEPZSA-N 1 1 279.384 2.927 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596654409 349969203 /nfs/dbraw/zinc/96/92/03/349969203.db2.gz OHYFPCLFZFVYRH-BXUZGUMPSA-N 1 1 265.357 2.619 20 5 CFBDMO CCCC[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000052877704 346531159 /nfs/dbraw/zinc/53/11/59/346531159.db2.gz SJTBVQXAXOQNCF-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000059394081 346656419 /nfs/dbraw/zinc/65/64/19/346656419.db2.gz PVISJKCREDPUMZ-UHFFFAOYSA-N 1 1 295.770 2.780 20 5 CFBDMO CCOCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626885 346633139 /nfs/dbraw/zinc/63/31/39/346633139.db2.gz SXWFWVQSBWCJLG-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064009835 346714417 /nfs/dbraw/zinc/71/44/17/346714417.db2.gz TUXKDYVZBIWXAA-UHFFFAOYSA-N 1 1 291.395 2.901 20 5 CFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C1 ZINC000066812331 346780561 /nfs/dbraw/zinc/78/05/61/346780561.db2.gz UMNIOIZFMQJXRX-GFCCVEGCSA-N 1 1 292.383 2.912 20 5 CFBDMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000066808831 346780637 /nfs/dbraw/zinc/78/06/37/346780637.db2.gz SZUDIJVPXRXFEM-NEPJUHHUSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000076113403 347122642 /nfs/dbraw/zinc/12/26/42/347122642.db2.gz GRHGHWPJGJDMLN-PHIMTYICSA-N 1 1 292.335 2.549 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076795524 347154177 /nfs/dbraw/zinc/15/41/77/347154177.db2.gz PZIUXRKTIXSRHS-ZDUSSCGKSA-N 1 1 292.383 2.914 20 5 CFBDMO C[N@H+](Cc1cccc(O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000080921802 347385922 /nfs/dbraw/zinc/38/59/22/347385922.db2.gz XQPBXWGUDNWOBH-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO C[N@@H+](Cc1cccc(O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000080921802 347385925 /nfs/dbraw/zinc/38/59/25/347385925.db2.gz XQPBXWGUDNWOBH-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C(C)C)CC2)c1 ZINC000088719070 347508006 /nfs/dbraw/zinc/50/80/06/347508006.db2.gz BCZPRLUKEAPSSC-UHFFFAOYSA-N 1 1 277.368 2.824 20 5 CFBDMO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(C)[nH+]1 ZINC000088764255 347510062 /nfs/dbraw/zinc/51/00/62/347510062.db2.gz LMSDHOISZMIGBW-UHFFFAOYSA-N 1 1 284.319 2.564 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000092470905 347627768 /nfs/dbraw/zinc/62/77/68/347627768.db2.gz JXRBMIOWCUWPQZ-CYBMUJFWSA-N 1 1 278.352 2.675 20 5 CFBDMO C[C@H]1CSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000172594163 348100176 /nfs/dbraw/zinc/10/01/76/348100176.db2.gz BGNLHMDWNTWBKH-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccncc1C ZINC000228668066 348197610 /nfs/dbraw/zinc/19/76/10/348197610.db2.gz BRBKUCKVBFRAGU-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO CC(C)c1ccc(CNC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000236654375 348234678 /nfs/dbraw/zinc/23/46/78/348234678.db2.gz FVMOYOBGCORKIZ-CQSZACIVSA-N 1 1 291.395 2.902 20 5 CFBDMO CC(C)c1ccc(CNC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000236654375 348234682 /nfs/dbraw/zinc/23/46/82/348234682.db2.gz FVMOYOBGCORKIZ-CQSZACIVSA-N 1 1 291.395 2.902 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000271012034 348331572 /nfs/dbraw/zinc/33/15/72/348331572.db2.gz POKKVHNLFFTMJY-AWEZNQCLSA-N 1 1 278.352 2.640 20 5 CFBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724479 348407545 /nfs/dbraw/zinc/40/75/45/348407545.db2.gz NBTMTRFYYJHDGB-CQSZACIVSA-N 1 1 298.346 2.676 20 5 CFBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000312796974 348419777 /nfs/dbraw/zinc/41/97/77/348419777.db2.gz QJGLFCTVMMEYAY-MNOVXSKESA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000315337783 348428884 /nfs/dbraw/zinc/42/88/84/348428884.db2.gz NHRYYIRGDARYIQ-LBPRGKRZSA-N 1 1 298.346 2.792 20 5 CFBDMO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@H+](C4CC4)C3)ccnc21 ZINC000317090306 348433211 /nfs/dbraw/zinc/43/32/11/348433211.db2.gz AGKCWLQYPPLGSC-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404314094 348590324 /nfs/dbraw/zinc/59/03/24/348590324.db2.gz AFADDNVFJLPFQQ-OCCSQVGLSA-N 1 1 277.368 2.544 20 5 CFBDMO Cc1c(CN2CCC[C@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382709 348591398 /nfs/dbraw/zinc/59/13/98/348591398.db2.gz NCMZXYMDCYCQBX-SWLSCSKDSA-N 1 1 291.395 2.853 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000400904053 348575574 /nfs/dbraw/zinc/57/55/74/348575574.db2.gz OTKJJKFIHRUCIO-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589958 348681258 /nfs/dbraw/zinc/68/12/58/348681258.db2.gz CXYIIZUHWUQYIT-FZMZJTMJSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589958 348681263 /nfs/dbraw/zinc/68/12/63/348681263.db2.gz CXYIIZUHWUQYIT-FZMZJTMJSA-N 1 1 296.392 2.720 20 5 CFBDMO Cc1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067829 348769872 /nfs/dbraw/zinc/76/98/72/348769872.db2.gz TWOBLEWFMZWKNN-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000589496331 348835852 /nfs/dbraw/zinc/83/58/52/348835852.db2.gz OQIUZPKEVYBKPR-SNVBAGLBSA-N 1 1 292.335 2.612 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505800 348837094 /nfs/dbraw/zinc/83/70/94/348837094.db2.gz OWVZMDQSCFDLJA-NSHDSACASA-N 1 1 292.335 2.613 20 5 CFBDMO CC(F)(F)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000590260903 348888097 /nfs/dbraw/zinc/88/80/97/348888097.db2.gz WWTSCPPCPIZZHR-NXEZZACHSA-N 1 1 288.298 2.520 20 5 CFBDMO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590723782 348937140 /nfs/dbraw/zinc/93/71/40/348937140.db2.gz PNXXQMRZCGNQJD-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590723782 348937143 /nfs/dbraw/zinc/93/71/43/348937143.db2.gz PNXXQMRZCGNQJD-JTQLQIEISA-N 1 1 298.774 2.564 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)cc1 ZINC000590659587 348924160 /nfs/dbraw/zinc/92/41/60/348924160.db2.gz PGQLPTWQUUPFHC-AWEZNQCLSA-N 1 1 286.335 2.698 20 5 CFBDMO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590967170 348973882 /nfs/dbraw/zinc/97/38/82/348973882.db2.gz AZMMSYDGEVGJGV-VDKLAZJHSA-N 1 1 286.331 2.804 20 5 CFBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590967170 348973884 /nfs/dbraw/zinc/97/38/84/348973884.db2.gz AZMMSYDGEVGJGV-VDKLAZJHSA-N 1 1 286.331 2.804 20 5 CFBDMO Cc1c([C@H](C)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591578241 349031911 /nfs/dbraw/zinc/03/19/11/349031911.db2.gz DVUVURYFOYLHHC-QWHCGFSZSA-N 1 1 277.368 2.696 20 5 CFBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130296 349089492 /nfs/dbraw/zinc/08/94/92/349089492.db2.gz ATZYNOQONDVGIL-HDJSIYSDSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H]1CC2(C[N@H+]1Cc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181548 349095984 /nfs/dbraw/zinc/09/59/84/349095984.db2.gz HROSEUFJXYLSRF-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592186970 349096892 /nfs/dbraw/zinc/09/68/92/349096892.db2.gz IHIRYSDZZQRDBW-ZDUSSCGKSA-N 1 1 290.363 2.781 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000593020505 349189218 /nfs/dbraw/zinc/18/92/18/349189218.db2.gz NGQDKZPGWOFAEL-LLVKDONJSA-N 1 1 286.335 2.588 20 5 CFBDMO C[N@@H+]1CCC[C@@H]1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593031271 349190737 /nfs/dbraw/zinc/19/07/37/349190737.db2.gz ZWYUKWQOHFOHEK-GFCCVEGCSA-N 1 1 277.368 2.514 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593031271 349190738 /nfs/dbraw/zinc/19/07/38/349190738.db2.gz ZWYUKWQOHFOHEK-GFCCVEGCSA-N 1 1 277.368 2.514 20 5 CFBDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593057161 349196044 /nfs/dbraw/zinc/19/60/44/349196044.db2.gz CLGREBUNLDHIIN-KGLIPLIRSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593057161 349196046 /nfs/dbraw/zinc/19/60/46/349196046.db2.gz CLGREBUNLDHIIN-KGLIPLIRSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593057257 349197163 /nfs/dbraw/zinc/19/71/63/349197163.db2.gz DURSYOOLSLXPHN-UKRRQHHQSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593057257 349197166 /nfs/dbraw/zinc/19/71/66/349197166.db2.gz DURSYOOLSLXPHN-UKRRQHHQSA-N 1 1 278.352 2.984 20 5 CFBDMO C[NH2+]Cc1ccccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000593315850 349245645 /nfs/dbraw/zinc/24/56/45/349245645.db2.gz FVZUINGOFRUXEY-UHFFFAOYSA-N 1 1 285.347 2.604 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593665586 349306988 /nfs/dbraw/zinc/30/69/88/349306988.db2.gz CIDUEMVIZHUWOV-WFASDCNBSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593665586 349306990 /nfs/dbraw/zinc/30/69/90/349306990.db2.gz CIDUEMVIZHUWOV-WFASDCNBSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000594053471 349365184 /nfs/dbraw/zinc/36/51/84/349365184.db2.gz QBJAXCSGHDHOTG-AWEZNQCLSA-N 1 1 292.383 2.836 20 5 CFBDMO C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597249659 350072573 /nfs/dbraw/zinc/07/25/73/350072573.db2.gz XKOKYXVTAJARMP-WBMJQRKESA-N 1 1 286.331 2.807 20 5 CFBDMO C[C@@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597249658 350072809 /nfs/dbraw/zinc/07/28/09/350072809.db2.gz XKOKYXVTAJARMP-MLGOLLRUSA-N 1 1 286.331 2.807 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414473607 233262561 /nfs/dbraw/zinc/26/25/61/233262561.db2.gz BELQRSWOBFHLMG-XSHSDMCLSA-N 1 1 294.326 2.668 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414473607 233262568 /nfs/dbraw/zinc/26/25/68/233262568.db2.gz BELQRSWOBFHLMG-XSHSDMCLSA-N 1 1 294.326 2.668 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2nccnc2C)cc1[N+](=O)[O-] ZINC000598634566 350298295 /nfs/dbraw/zinc/29/82/95/350298295.db2.gz NUDCTOYLWJNULX-NSHDSACASA-N 1 1 286.335 2.852 20 5 CFBDMO CC[C@H]([NH2+]Cc1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000598636846 350298322 /nfs/dbraw/zinc/29/83/22/350298322.db2.gz WZRVUQOUXZHRQA-AWEZNQCLSA-N 1 1 286.335 2.934 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000598647082 350301191 /nfs/dbraw/zinc/30/11/91/350301191.db2.gz KGTKCDDKDLLPKS-ZDUSSCGKSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647565 350301374 /nfs/dbraw/zinc/30/13/74/350301374.db2.gz OTZGBJSBBGDBHC-XBFCOCLRSA-N 1 1 292.379 2.915 20 5 CFBDMO CCO[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599260052 350401717 /nfs/dbraw/zinc/40/17/17/350401717.db2.gz UMGQKMGVTUFHLK-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(C)COC1 ZINC000599571701 350458502 /nfs/dbraw/zinc/45/85/02/350458502.db2.gz RBJPESLPTIUTFC-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(C)COC1 ZINC000599571701 350458505 /nfs/dbraw/zinc/45/85/05/350458505.db2.gz RBJPESLPTIUTFC-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1(C)COC1 ZINC000599571682 350459114 /nfs/dbraw/zinc/45/91/14/350459114.db2.gz PZRZIHZWBXQHJE-LBPRGKRZSA-N 1 1 278.352 2.933 20 5 CFBDMO Cc1[nH+]cn(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C ZINC000106440473 186117736 /nfs/dbraw/zinc/11/77/36/186117736.db2.gz JEALKZUMDBBWOT-UHFFFAOYSA-N 1 1 299.290 2.506 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000107904919 186197893 /nfs/dbraw/zinc/19/78/93/186197893.db2.gz IOUIMSBDEAZJMC-LLVKDONJSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000601124762 350675109 /nfs/dbraw/zinc/67/51/09/350675109.db2.gz JOCFCXVVRFSPPV-TXEJJXNPSA-N 1 1 285.303 2.511 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601119143 350672883 /nfs/dbraw/zinc/67/28/83/350672883.db2.gz OCZKCWVSNZSLBW-UHFFFAOYSA-N 1 1 293.302 2.526 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC(F)(F)F)c2c1 ZINC000601124187 350674783 /nfs/dbraw/zinc/67/47/83/350674783.db2.gz AWRSJLSFHLTSHS-UHFFFAOYSA-N 1 1 285.225 2.929 20 5 CFBDMO CO[C@@H](C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601163122 350685988 /nfs/dbraw/zinc/68/59/88/350685988.db2.gz DNZJVHWTQLQEON-JTQLQIEISA-N 1 1 275.308 2.614 20 5 CFBDMO C[C@H]1CC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)O1 ZINC000601173236 350688881 /nfs/dbraw/zinc/68/88/81/350688881.db2.gz TUTNFCZWHPZDTC-JQWIXIFHSA-N 1 1 287.319 2.544 20 5 CFBDMO CC1(C)C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000601191816 350692944 /nfs/dbraw/zinc/69/29/44/350692944.db2.gz QQISTLKDFKNKBZ-JTQLQIEISA-N 1 1 287.319 2.544 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601969292 350821953 /nfs/dbraw/zinc/82/19/53/350821953.db2.gz BLTODOUJAYQYTM-CQSZACIVSA-N 1 1 291.395 2.771 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111273151 186386043 /nfs/dbraw/zinc/38/60/43/186386043.db2.gz PJGZETOIVFOVJW-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111273151 186386044 /nfs/dbraw/zinc/38/60/44/186386044.db2.gz PJGZETOIVFOVJW-SMDDNHRTSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCC1 ZINC000111296782 186392920 /nfs/dbraw/zinc/39/29/20/186392920.db2.gz CCZKEXNXXAQSSO-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CO[C@](C)(C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440715 350883689 /nfs/dbraw/zinc/88/36/89/350883689.db2.gz SDPVKXASQMSRID-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO CSC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000602725020 351001584 /nfs/dbraw/zinc/00/15/84/351001584.db2.gz HIILTOVGTUWDLM-UHFFFAOYSA-N 1 1 272.395 2.984 20 5 CFBDMO Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000602604269 350942260 /nfs/dbraw/zinc/94/22/60/350942260.db2.gz PNBCACHGNUZFNS-UHFFFAOYSA-N 1 1 295.726 2.877 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCCCCC1 ZINC000602761311 351015777 /nfs/dbraw/zinc/01/57/77/351015777.db2.gz WUTCAKMEHGAMSS-UHFFFAOYSA-N 1 1 280.372 2.754 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602764811 351016831 /nfs/dbraw/zinc/01/68/31/351016831.db2.gz YLUSCIOKEGWFGK-DGCLKSJQSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccco1)C(C)C ZINC000602766718 351018338 /nfs/dbraw/zinc/01/83/38/351018338.db2.gz AMVLOTFVOWLAIB-UHFFFAOYSA-N 1 1 292.339 2.603 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000602773150 351020450 /nfs/dbraw/zinc/02/04/50/351020450.db2.gz RBWJHIINCVIIAF-LBPRGKRZSA-N 1 1 280.372 2.610 20 5 CFBDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771608 351020486 /nfs/dbraw/zinc/02/04/86/351020486.db2.gz GAHNZVBXSODMRJ-WDEREUQCSA-N 1 1 280.372 2.727 20 5 CFBDMO CC[C@@H]1CCCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776253 351021497 /nfs/dbraw/zinc/02/14/97/351021497.db2.gz BHCKZPAHHYVTGG-CYBMUJFWSA-N 1 1 280.372 2.754 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1F ZINC000602803988 351032154 /nfs/dbraw/zinc/03/21/54/351032154.db2.gz FBPGZJGRSFMTPP-SNVBAGLBSA-N 1 1 292.314 2.627 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000602808710 351034224 /nfs/dbraw/zinc/03/42/24/351034224.db2.gz YXCUGTPNCGBZBY-IACUBPJLSA-N 1 1 292.383 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000602812631 351034850 /nfs/dbraw/zinc/03/48/50/351034850.db2.gz ASBIRGAPVBVJJE-DGCLKSJQSA-N 1 1 280.372 2.610 20 5 CFBDMO Cn1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846936 351044278 /nfs/dbraw/zinc/04/42/78/351044278.db2.gz UEUSICZIYJBJST-OLZOCXBDSA-N 1 1 294.399 2.975 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000602902422 351061514 /nfs/dbraw/zinc/06/15/14/351061514.db2.gz LPCZPIDTEOOZTP-KBPBESRZSA-N 1 1 292.383 2.754 20 5 CFBDMO CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)COC1 ZINC000602741833 351010873 /nfs/dbraw/zinc/01/08/73/351010873.db2.gz VQACDDULIJHSRW-UHFFFAOYSA-N 1 1 288.303 2.733 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997666 351088005 /nfs/dbraw/zinc/08/80/05/351088005.db2.gz OPTZLXAQQMBLEN-OAGGEKHMSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997668 351088446 /nfs/dbraw/zinc/08/84/46/351088446.db2.gz OPTZLXAQQMBLEN-XHSDSOJGSA-N 1 1 290.363 2.720 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431713 351163943 /nfs/dbraw/zinc/16/39/43/351163943.db2.gz GJNPGBZDGTWTRA-ZLKJLUDKSA-N 1 1 277.368 2.680 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000604409247 351211632 /nfs/dbraw/zinc/21/16/32/351211632.db2.gz IIETXWHBKJCUQV-ZJUUUORDSA-N 1 1 267.354 2.695 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000610279790 351548041 /nfs/dbraw/zinc/54/80/41/351548041.db2.gz BKFBYGCQWJGSEB-IUCAKERBSA-N 1 1 255.343 2.551 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000610476271 351568870 /nfs/dbraw/zinc/56/88/70/351568870.db2.gz YOLMVYUGCNBSOT-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000610550194 351580987 /nfs/dbraw/zinc/58/09/87/351580987.db2.gz KBPHLJFNMWCSCX-JTQLQIEISA-N 1 1 269.370 2.943 20 5 CFBDMO Cn1cccc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610763326 351605340 /nfs/dbraw/zinc/60/53/40/351605340.db2.gz DCKLBNHAJKYOEA-UHFFFAOYSA-N 1 1 273.336 2.608 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762736 351605505 /nfs/dbraw/zinc/60/55/05/351605505.db2.gz RPUOZSSIDFGOJQ-GXFFZTMASA-N 1 1 262.309 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762736 351605508 /nfs/dbraw/zinc/60/55/08/351605508.db2.gz RPUOZSSIDFGOJQ-GXFFZTMASA-N 1 1 262.309 2.588 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(C)cc1 ZINC000610782679 351607265 /nfs/dbraw/zinc/60/72/65/351607265.db2.gz IVXJEVZFLFOMIA-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO CC[N@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092031 351639806 /nfs/dbraw/zinc/63/98/06/351639806.db2.gz HCXJISLOKTZZAT-CHWSQXEVSA-N 1 1 277.368 2.682 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179552 351648221 /nfs/dbraw/zinc/64/82/21/351648221.db2.gz DWWSAPMELWZBAC-SNVBAGLBSA-N 1 1 286.278 2.561 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000611180397 351649092 /nfs/dbraw/zinc/64/90/92/351649092.db2.gz XFBVSFLCCJMOLL-UHFFFAOYSA-N 1 1 298.289 2.705 20 5 CFBDMO CCCC[N@@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611251258 351657689 /nfs/dbraw/zinc/65/76/89/351657689.db2.gz QEQYITUFXDEAJQ-UHFFFAOYSA-N 1 1 294.351 2.988 20 5 CFBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C ZINC000611262693 351660180 /nfs/dbraw/zinc/66/01/80/351660180.db2.gz QSBMCYFKDJYSKS-UHFFFAOYSA-N 1 1 294.351 2.844 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccsc1[N+](=O)[O-] ZINC000610958172 351625351 /nfs/dbraw/zinc/62/53/51/351625351.db2.gz MHNYUBIGPCXMOY-UHFFFAOYSA-N 1 1 280.353 2.688 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000611413823 351686582 /nfs/dbraw/zinc/68/65/82/351686582.db2.gz YUAMOWHCUTVART-GHMZBOCLSA-N 1 1 281.381 2.577 20 5 CFBDMO O=[N+]([O-])c1sccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000611370601 351676539 /nfs/dbraw/zinc/67/65/39/351676539.db2.gz YBPGKQLTRULYAG-VIFPVBQESA-N 1 1 278.337 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)cs1 ZINC000612131105 351778973 /nfs/dbraw/zinc/77/89/73/351778973.db2.gz JPJCIMBWANPNCZ-ZDUSSCGKSA-N 1 1 296.392 2.905 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122264816 187023469 /nfs/dbraw/zinc/02/34/69/187023469.db2.gz ZCRZMHGKWNNGSJ-QWRGUYRKSA-N 1 1 261.325 2.632 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124235403 187127882 /nfs/dbraw/zinc/12/78/82/187127882.db2.gz VPVVRLGNKHQLRS-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655760 187103314 /nfs/dbraw/zinc/10/33/14/187103314.db2.gz PFVRYEKOFMSRIN-TZMCWYRMSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742226 187107521 /nfs/dbraw/zinc/10/75/21/187107521.db2.gz BLCAFDOTUKYIEI-SMDDNHRTSA-N 1 1 296.342 2.859 20 5 CFBDMO COCCCOCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271488010 191168703 /nfs/dbraw/zinc/16/87/03/191168703.db2.gz HNMIWOSKZAHCHU-CYBMUJFWSA-N 1 1 296.367 2.641 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCn1ccnc1 ZINC000271627068 191248166 /nfs/dbraw/zinc/24/81/66/191248166.db2.gz GCODGUVITNKKJY-ZDUSSCGKSA-N 1 1 288.351 2.874 20 5 CFBDMO C[N@H+](CCc1ccccn1)Cc1csc([N+](=O)[O-])c1 ZINC000152943195 188054773 /nfs/dbraw/zinc/05/47/73/188054773.db2.gz WXKLFUREOAQTJE-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1ccccn1)Cc1csc([N+](=O)[O-])c1 ZINC000152943195 188054774 /nfs/dbraw/zinc/05/47/74/188054774.db2.gz WXKLFUREOAQTJE-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387972 /nfs/dbraw/zinc/38/79/72/188387972.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 1 1 289.379 2.511 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000294788964 199183832 /nfs/dbraw/zinc/18/38/32/199183832.db2.gz HLBDDGPZHAWFNF-SECBINFHSA-N 1 1 280.353 2.724 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422918358 237345599 /nfs/dbraw/zinc/34/55/99/237345599.db2.gz HDMGAEPAOULAQY-UTUOFQBUSA-N 1 1 265.357 2.680 20 5 CFBDMO CC(C)[N@@H+](CCc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000297666276 200256609 /nfs/dbraw/zinc/25/66/09/200256609.db2.gz JUPODWGMGDPTHP-UHFFFAOYSA-N 1 1 288.351 2.771 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000301440728 201010585 /nfs/dbraw/zinc/01/05/85/201010585.db2.gz MEONNVYKEGFCMQ-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000301465392 201019751 /nfs/dbraw/zinc/01/97/51/201019751.db2.gz HJMLGEBNEJLGKS-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000301570348 201073034 /nfs/dbraw/zinc/07/30/34/201073034.db2.gz OBEUWKGRYYHRAH-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000183219119 189350797 /nfs/dbraw/zinc/35/07/97/189350797.db2.gz XBNMRJPFIUKBAP-VXGBXAGGSA-N 1 1 264.325 2.512 20 5 CFBDMO Cn1ccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183306764 189354260 /nfs/dbraw/zinc/35/42/60/189354260.db2.gz MLWGYFAQEPMYID-CQSZACIVSA-N 1 1 286.335 2.569 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183339692 189355247 /nfs/dbraw/zinc/35/52/47/189355247.db2.gz UTQRRRDOJXMCIQ-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000183364208 189356270 /nfs/dbraw/zinc/35/62/70/189356270.db2.gz WYAWFRGGUSQJNR-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000183364208 189356271 /nfs/dbraw/zinc/35/62/71/189356271.db2.gz WYAWFRGGUSQJNR-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000184249958 189380419 /nfs/dbraw/zinc/38/04/19/189380419.db2.gz UAWVEKXEGKMJJX-UHFFFAOYSA-N 1 1 270.304 2.973 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301782169 201193843 /nfs/dbraw/zinc/19/38/43/201193843.db2.gz JYBMBTSMZIIFTE-CYBMUJFWSA-N 1 1 292.383 2.912 20 5 CFBDMO CO[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000425416144 239052560 /nfs/dbraw/zinc/05/25/60/239052560.db2.gz KAMDKWSSPMJEOH-INIZCTEOSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000301980399 201284942 /nfs/dbraw/zinc/28/49/42/201284942.db2.gz ARJBBMZGIUVLIM-IUCAKERBSA-N 1 1 267.354 2.693 20 5 CFBDMO O=[N+]([O-])c1ccsc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000302012601 201296864 /nfs/dbraw/zinc/29/68/64/201296864.db2.gz ZIKFNCWVQNLQDZ-VIFPVBQESA-N 1 1 278.337 2.763 20 5 CFBDMO COCC(C)(C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000426076925 239164831 /nfs/dbraw/zinc/16/48/31/239164831.db2.gz KBZITDAIIZYDMY-UHFFFAOYSA-N 1 1 266.341 2.699 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642135 241157712 /nfs/dbraw/zinc/15/77/12/241157712.db2.gz QYIYKZGQKVVLLH-JTQLQIEISA-N 1 1 276.340 2.949 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C4CC4)C3)nc2c1 ZINC000444682233 241167266 /nfs/dbraw/zinc/16/72/66/241167266.db2.gz ZFSGZQSDXFDVMJ-NSHDSACASA-N 1 1 286.335 2.703 20 5 CFBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632837 242081583 /nfs/dbraw/zinc/08/15/83/242081583.db2.gz NXNVSRQSNDTNLX-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449567747 242036033 /nfs/dbraw/zinc/03/60/33/242036033.db2.gz YGDHJXDIRMWZJD-CYBMUJFWSA-N 1 1 295.358 2.650 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450273207 242335239 /nfs/dbraw/zinc/33/52/39/242335239.db2.gz AYRLQPMBJNQZQO-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452000589 243008217 /nfs/dbraw/zinc/00/82/17/243008217.db2.gz BXQJQAXYJIXGPV-NSHDSACASA-N 1 1 291.351 2.796 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000459489213 245196475 /nfs/dbraw/zinc/19/64/75/245196475.db2.gz XJGULADOMMEZKI-PHIMTYICSA-N 1 1 283.397 2.571 20 5 CFBDMO COCC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459625598 245248053 /nfs/dbraw/zinc/24/80/53/245248053.db2.gz XZNDXMYYEMRSBK-ALCCZGGFSA-N 1 1 276.336 2.576 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955199 245375579 /nfs/dbraw/zinc/37/55/79/245375579.db2.gz FCTKBMRVYYQCIB-ZYHUDNBSSA-N 1 1 281.331 2.937 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000003564728 371809406 /nfs/dbraw/zinc/80/94/06/371809406.db2.gz SCCDPMLZVHUZFL-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000003564728 371809412 /nfs/dbraw/zinc/80/94/12/371809412.db2.gz SCCDPMLZVHUZFL-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO CCC[C@@H]([NH2+]CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091901 372229195 /nfs/dbraw/zinc/22/91/95/372229195.db2.gz BXJRGYVUFJRAEI-OAHLLOKOSA-N 1 1 279.384 2.977 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000023042833 372251146 /nfs/dbraw/zinc/25/11/46/372251146.db2.gz RXAPIGZMIFETTE-CQSZACIVSA-N 1 1 298.346 2.676 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000037647747 372682816 /nfs/dbraw/zinc/68/28/16/372682816.db2.gz DUNWLUGPSYTGHM-VIFPVBQESA-N 1 1 269.732 2.612 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000045653778 373025031 /nfs/dbraw/zinc/02/50/31/373025031.db2.gz NKBSQAWEJFXKCP-GFCCVEGCSA-N 1 1 263.341 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC000051896631 373419077 /nfs/dbraw/zinc/41/90/77/373419077.db2.gz IXFGWQIFIDQXQK-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC000051896631 373419086 /nfs/dbraw/zinc/41/90/86/373419086.db2.gz IXFGWQIFIDQXQK-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000053361040 373474612 /nfs/dbraw/zinc/47/46/12/373474612.db2.gz CVLOQIVCDUUYFS-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054128037 373499905 /nfs/dbraw/zinc/49/99/05/373499905.db2.gz VUJBDCUFBBAFPC-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000061164141 373713629 /nfs/dbraw/zinc/71/36/29/373713629.db2.gz ZFISJZBHXXFOMY-UHFFFAOYSA-N 1 1 264.325 2.846 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CC1 ZINC000072559681 374263902 /nfs/dbraw/zinc/26/39/02/374263902.db2.gz BQFJWFPIQRSIPV-UHFFFAOYSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C ZINC000072874959 374297925 /nfs/dbraw/zinc/29/79/25/374297925.db2.gz KUFZGPMIKCPCLZ-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287518 374411938 /nfs/dbraw/zinc/41/19/38/374411938.db2.gz CPKCEYZBNYPJOH-HZPDHXFCSA-N 1 1 292.379 2.763 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000083417298 374744773 /nfs/dbraw/zinc/74/47/73/374744773.db2.gz HXKWERHSQCEXFR-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000088750751 374861916 /nfs/dbraw/zinc/86/19/16/374861916.db2.gz SSWPFVVZZRNVEO-CYBMUJFWSA-N 1 1 260.297 2.559 20 5 CFBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000089512573 374917101 /nfs/dbraw/zinc/91/71/01/374917101.db2.gz MQPKHHIZGRYGMB-ZDUSSCGKSA-N 1 1 274.324 2.569 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482246 375252727 /nfs/dbraw/zinc/25/27/27/375252727.db2.gz DXZQQGMGIGUSPR-BPFGOOJPSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482247 375253048 /nfs/dbraw/zinc/25/30/48/375253048.db2.gz DXZQQGMGIGUSPR-DKIZZRPMSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000093584491 375269390 /nfs/dbraw/zinc/26/93/90/375269390.db2.gz CTWAZQBTFFWACN-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000093584491 375269396 /nfs/dbraw/zinc/26/93/96/375269396.db2.gz CTWAZQBTFFWACN-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505607385 247145138 /nfs/dbraw/zinc/14/51/38/247145138.db2.gz WRXPTDXCGDOXTG-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505607385 247145143 /nfs/dbraw/zinc/14/51/43/247145143.db2.gz WRXPTDXCGDOXTG-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@H]1SCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000118414586 376296145 /nfs/dbraw/zinc/29/61/45/376296145.db2.gz UZVLXEGGDMEVBV-GHMZBOCLSA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118419810 376297080 /nfs/dbraw/zinc/29/70/80/376297080.db2.gz RWTPXOZBFRACBI-NWDGAFQWSA-N 1 1 296.392 2.799 20 5 CFBDMO CCN1CCC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125225687 377128588 /nfs/dbraw/zinc/12/85/88/377128588.db2.gz VXWJXHGZOOKAOU-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCN1CCC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125225687 377128593 /nfs/dbraw/zinc/12/85/93/377128593.db2.gz VXWJXHGZOOKAOU-UHFFFAOYSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624765 377454155 /nfs/dbraw/zinc/45/41/55/377454155.db2.gz KXPXDURCCWXKFL-OBJOEFQTSA-N 1 1 289.379 2.871 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000129636586 377453320 /nfs/dbraw/zinc/45/33/20/377453320.db2.gz BDUHQGMWPRSZFF-ZDUSSCGKSA-N 1 1 292.383 2.688 20 5 CFBDMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624765 377454145 /nfs/dbraw/zinc/45/41/45/377454145.db2.gz KXPXDURCCWXKFL-OBJOEFQTSA-N 1 1 289.379 2.871 20 5 CFBDMO O=[N+]([O-])c1ccc(CSCCC[NH+]2CCOCC2)cc1 ZINC000131039379 377649172 /nfs/dbraw/zinc/64/91/72/377649172.db2.gz AJLXDIJYPXEJCG-UHFFFAOYSA-N 1 1 296.392 2.550 20 5 CFBDMO COc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000134928126 378065142 /nfs/dbraw/zinc/06/51/42/378065142.db2.gz PBMPCXMFOGZRHX-VXGBXAGGSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC1 ZINC000135302398 378113249 /nfs/dbraw/zinc/11/32/49/378113249.db2.gz XTRGXENQLHSDRF-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CSC ZINC000135480341 378138185 /nfs/dbraw/zinc/13/81/85/378138185.db2.gz OMWKPINYODBBLX-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000135271547 378108763 /nfs/dbraw/zinc/10/87/63/378108763.db2.gz ZJWAARAIWKPJOF-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000153328038 378485629 /nfs/dbraw/zinc/48/56/29/378485629.db2.gz SZJWMSYXSDQRCX-CYBMUJFWSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000153328038 378485637 /nfs/dbraw/zinc/48/56/37/378485637.db2.gz SZJWMSYXSDQRCX-CYBMUJFWSA-N 1 1 276.336 2.522 20 5 CFBDMO C[C@H]1COC(C)(C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331119288 378635649 /nfs/dbraw/zinc/63/56/49/378635649.db2.gz OVZXYFSVRBGTOI-LBPRGKRZSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000155098408 378611485 /nfs/dbraw/zinc/61/14/85/378611485.db2.gz WHPAZBVFCVXMSH-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331309985 378666318 /nfs/dbraw/zinc/66/63/18/378666318.db2.gz BQYRRCIJXAAKHQ-TXEJJXNPSA-N 1 1 291.351 2.796 20 5 CFBDMO Cc1c(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191856 378647241 /nfs/dbraw/zinc/64/72/41/378647241.db2.gz QAKNNOMLZRXOQL-IUODEOHRSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000332315741 378746412 /nfs/dbraw/zinc/74/64/12/378746412.db2.gz YLCFYGQSVKPGIC-NWDGAFQWSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350820 379071109 /nfs/dbraw/zinc/07/11/09/379071109.db2.gz FXZMNOXIMJNIFJ-ZYHUDNBSSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000169045016 379104073 /nfs/dbraw/zinc/10/40/73/379104073.db2.gz DSCCFAYQKVYXSL-VXGBXAGGSA-N 1 1 279.315 2.773 20 5 CFBDMO Cc1c(C[N@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000171690659 379373914 /nfs/dbraw/zinc/37/39/14/379373914.db2.gz NMUGLZIOIWFILD-SNVBAGLBSA-N 1 1 266.366 2.841 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171949790 379447017 /nfs/dbraw/zinc/44/70/17/379447017.db2.gz JCBAEEVXBQPQHN-GFCCVEGCSA-N 1 1 293.367 2.901 20 5 CFBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172717725 379631139 /nfs/dbraw/zinc/63/11/39/379631139.db2.gz MNRYLFOBPDABSQ-LLVKDONJSA-N 1 1 292.314 2.623 20 5 CFBDMO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392950 379733579 /nfs/dbraw/zinc/73/35/79/379733579.db2.gz OOUBJYBNERESBF-NWDGAFQWSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392950 379733580 /nfs/dbraw/zinc/73/35/80/379733580.db2.gz OOUBJYBNERESBF-NWDGAFQWSA-N 1 1 277.368 2.728 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174956898 379968432 /nfs/dbraw/zinc/96/84/32/379968432.db2.gz VSZIPNVWGFQLRR-GFCCVEGCSA-N 1 1 297.424 2.820 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC1 ZINC000175271447 380034678 /nfs/dbraw/zinc/03/46/78/380034678.db2.gz DGLMKESLMRJDOZ-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264457674 383742647 /nfs/dbraw/zinc/74/26/47/383742647.db2.gz PBCWFSRYKVPNDS-AWEZNQCLSA-N 1 1 266.341 2.576 20 5 CFBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176199693 380193901 /nfs/dbraw/zinc/19/39/01/380193901.db2.gz FYEMYVKIRUBFCH-LLVKDONJSA-N 1 1 292.314 2.623 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC000176213240 380197581 /nfs/dbraw/zinc/19/75/81/380197581.db2.gz FUVFQNCAMKNDCD-UHFFFAOYSA-N 1 1 292.383 2.836 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000177327484 380330655 /nfs/dbraw/zinc/33/06/55/380330655.db2.gz BVQDZIZDXCPHOP-CABCVRRESA-N 1 1 289.379 2.653 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452029510 383745082 /nfs/dbraw/zinc/74/50/82/383745082.db2.gz JRZIBFIBWNVNCF-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000177877654 380389359 /nfs/dbraw/zinc/38/93/59/380389359.db2.gz LENCPTMMABEBQJ-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCSC ZINC000178503396 380458157 /nfs/dbraw/zinc/45/81/57/380458157.db2.gz XDTIGQQBLIUEDH-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCSC ZINC000178503396 380458165 /nfs/dbraw/zinc/45/81/65/380458165.db2.gz XDTIGQQBLIUEDH-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO Cc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000367905944 380852567 /nfs/dbraw/zinc/85/25/67/380852567.db2.gz CVCGWVOWBTYASK-NSHDSACASA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000367905944 380852575 /nfs/dbraw/zinc/85/25/75/380852575.db2.gz CVCGWVOWBTYASK-NSHDSACASA-N 1 1 272.308 2.596 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSCC[C@@H]1C ZINC000279228068 194342933 /nfs/dbraw/zinc/34/29/33/194342933.db2.gz IWXBYTFCKCGEGP-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CC[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000289674838 381095480 /nfs/dbraw/zinc/09/54/80/381095480.db2.gz NTISBRWADKXUTN-OWNNVSBGSA-N 1 1 289.379 2.634 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000347375707 381107493 /nfs/dbraw/zinc/10/74/93/381107493.db2.gz KFVBVTLDRUAMRG-AHTUEQHWSA-N 1 1 290.363 2.701 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000347384760 381112956 /nfs/dbraw/zinc/11/29/56/381112956.db2.gz XVNWMWGRAZRZMC-DKMNWPJTSA-N 1 1 290.363 2.701 20 5 CFBDMO C[N@H+](CCOCC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000341675509 381165032 /nfs/dbraw/zinc/16/50/32/381165032.db2.gz FRWVVCXPDFEABC-UHFFFAOYSA-N 1 1 278.352 2.843 20 5 CFBDMO C[N@@H+](CCOCC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000341675509 381165035 /nfs/dbraw/zinc/16/50/35/381165035.db2.gz FRWVVCXPDFEABC-UHFFFAOYSA-N 1 1 278.352 2.843 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[N@H+](C)C(C)C ZINC000289833030 381179667 /nfs/dbraw/zinc/17/96/67/381179667.db2.gz OLSMKZDTSQSVHC-CYBMUJFWSA-N 1 1 279.384 2.722 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CN(C)C(C)C ZINC000289833030 381179673 /nfs/dbraw/zinc/17/96/73/381179673.db2.gz OLSMKZDTSQSVHC-CYBMUJFWSA-N 1 1 279.384 2.722 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300375 381252365 /nfs/dbraw/zinc/25/23/65/381252365.db2.gz ZNNUWSQFSWRITI-SWLSCSKDSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300375 381252367 /nfs/dbraw/zinc/25/23/67/381252367.db2.gz ZNNUWSQFSWRITI-SWLSCSKDSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccs3)nc2c1 ZINC000354354357 381221602 /nfs/dbraw/zinc/22/16/02/381221602.db2.gz DFOPUAOAVJIJLP-UHFFFAOYSA-N 1 1 288.332 2.822 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000342420138 381323594 /nfs/dbraw/zinc/32/35/94/381323594.db2.gz QDJVATAFTZXGFY-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342420138 381323599 /nfs/dbraw/zinc/32/35/99/381323599.db2.gz QDJVATAFTZXGFY-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CC(C)C(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000290397500 381412883 /nfs/dbraw/zinc/41/28/83/381412883.db2.gz SRLCUJUXYNQPPS-UHFFFAOYSA-N 1 1 264.325 2.642 20 5 CFBDMO CC(C)C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000290397500 381412889 /nfs/dbraw/zinc/41/28/89/381412889.db2.gz SRLCUJUXYNQPPS-UHFFFAOYSA-N 1 1 264.325 2.642 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342600634 381426646 /nfs/dbraw/zinc/42/66/46/381426646.db2.gz UYLJXWSLENHPHW-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000184787184 381478409 /nfs/dbraw/zinc/47/84/09/381478409.db2.gz PNYKMUFEUNJSLO-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO CCOc1cccc(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184787686 381478560 /nfs/dbraw/zinc/47/85/60/381478560.db2.gz UYERFJTWZSGAEH-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464491 /nfs/dbraw/zinc/46/44/91/381464491.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464493 /nfs/dbraw/zinc/46/44/93/381464493.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 1 1 291.395 2.675 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000290577017 381485945 /nfs/dbraw/zinc/48/59/45/381485945.db2.gz AAZVUYONCUSIFK-SECBINFHSA-N 1 1 272.374 2.584 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359606243 381502578 /nfs/dbraw/zinc/50/25/78/381502578.db2.gz BVGUDBNMIJEPRC-AWEZNQCLSA-N 1 1 290.294 2.557 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000371066524 381541549 /nfs/dbraw/zinc/54/15/49/381541549.db2.gz SQBZAPDOCITWPK-OAHLLOKOSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000371064466 381541706 /nfs/dbraw/zinc/54/17/06/381541706.db2.gz LQUXHBVDOHBVTH-OAHLLOKOSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000414149689 381564683 /nfs/dbraw/zinc/56/46/83/381564683.db2.gz VAIVBRRFPCCXIU-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C)C1 ZINC000348669683 381661798 /nfs/dbraw/zinc/66/17/98/381661798.db2.gz HGBZRBDIQCFABJ-RPHSKFLZSA-N 1 1 276.336 2.719 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C)C1 ZINC000348669683 381661808 /nfs/dbraw/zinc/66/18/08/381661808.db2.gz HGBZRBDIQCFABJ-RPHSKFLZSA-N 1 1 276.336 2.719 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000355213501 381682668 /nfs/dbraw/zinc/68/26/68/381682668.db2.gz RCZYGTJXBCLWAD-QWHCGFSZSA-N 1 1 296.392 2.905 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000355235550 381694591 /nfs/dbraw/zinc/69/45/91/381694591.db2.gz JXGNZLFNTSEYBI-HUUCEWRRSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754312 381736240 /nfs/dbraw/zinc/73/62/40/381736240.db2.gz NQXYOAVPVWNRQG-OCCSQVGLSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292807739 381844428 /nfs/dbraw/zinc/84/44/28/381844428.db2.gz NYBUUHYKECBCTR-INIZCTEOSA-N 1 1 289.379 2.825 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000361260483 381815985 /nfs/dbraw/zinc/81/59/85/381815985.db2.gz DVLZJVGUINEHNP-OLZOCXBDSA-N 1 1 292.383 2.607 20 5 CFBDMO CCc1nocc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292871362 381877172 /nfs/dbraw/zinc/87/71/72/381877172.db2.gz AZZWTZVBDXEPOY-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349668807 381983860 /nfs/dbraw/zinc/98/38/60/381983860.db2.gz OFWLOXGFBWHGTK-CYBMUJFWSA-N 1 1 292.360 2.788 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293106486 381993228 /nfs/dbraw/zinc/99/32/28/381993228.db2.gz LKNBMXNNRFBXFW-MRXNPFEDSA-N 1 1 292.379 2.884 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301060303 382068914 /nfs/dbraw/zinc/06/89/14/382068914.db2.gz BQDKHRBIYZURFP-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO CC1(CO)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000186968009 382060086 /nfs/dbraw/zinc/06/00/86/382060086.db2.gz WWFGFGOBWTUIET-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO CC[N@@H+](CCNc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000357235851 382070435 /nfs/dbraw/zinc/07/04/35/382070435.db2.gz JJRNANLVHLXSGC-UHFFFAOYSA-N 1 1 299.346 2.885 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)CC1 ZINC000293309747 382071891 /nfs/dbraw/zinc/07/18/91/382071891.db2.gz WZRWVJGAZHICLF-NWDGAFQWSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301092667 382079450 /nfs/dbraw/zinc/07/94/50/382079450.db2.gz LLECQOXWURFSDJ-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000357266013 382083935 /nfs/dbraw/zinc/08/39/35/382083935.db2.gz TYURLKWVRBYACA-JTQLQIEISA-N 1 1 299.346 2.885 20 5 CFBDMO CCn1cncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417963212 382098836 /nfs/dbraw/zinc/09/88/36/382098836.db2.gz JWACLHAADOMDDU-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000301186421 382101442 /nfs/dbraw/zinc/10/14/42/382101442.db2.gz KFUHYEAAYUHZFG-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1ccnc(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301291568 382138621 /nfs/dbraw/zinc/13/86/21/382138621.db2.gz NTOYIMBTDRVISH-UHFFFAOYSA-N 1 1 292.383 2.975 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122052 382141870 /nfs/dbraw/zinc/14/18/70/382141870.db2.gz FZBZUPMOAFXPJF-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122052 382141877 /nfs/dbraw/zinc/14/18/77/382141877.db2.gz FZBZUPMOAFXPJF-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301310507 382146068 /nfs/dbraw/zinc/14/60/68/382146068.db2.gz ZSBKVEFJPOPBMF-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000301351135 382156677 /nfs/dbraw/zinc/15/66/77/382156677.db2.gz IZZARUOUUJOKJH-AWEZNQCLSA-N 1 1 281.331 2.510 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293525834 382159022 /nfs/dbraw/zinc/15/90/22/382159022.db2.gz WNAKWAXLPYHCRT-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO CC(C)SCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376759802 382172137 /nfs/dbraw/zinc/17/21/37/382172137.db2.gz XGLIIGLJOSVETN-GFCCVEGCSA-N 1 1 298.412 2.570 20 5 CFBDMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000302231864 382223240 /nfs/dbraw/zinc/22/32/40/382223240.db2.gz YEOPTMWPLCMBBZ-AOOOYVTPSA-N 1 1 283.759 2.777 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](C)O ZINC000352201611 382225184 /nfs/dbraw/zinc/22/51/84/382225184.db2.gz GMGTYGWAKUEUPW-LBPRGKRZSA-N 1 1 296.367 2.585 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352203056 382225579 /nfs/dbraw/zinc/22/55/79/382225579.db2.gz OQBGCTMCNUDNKA-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352229712 382238265 /nfs/dbraw/zinc/23/82/65/382238265.db2.gz GFSGZZRAAABOOS-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000357776117 382315100 /nfs/dbraw/zinc/31/51/00/382315100.db2.gz SQPZXVCSVAPLCV-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO COc1cc(C[N@@H+]2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352540545 382386168 /nfs/dbraw/zinc/38/61/68/382386168.db2.gz MMZYVAUGQSVKTD-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc(C[N@H+]2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352540545 382386173 /nfs/dbraw/zinc/38/61/73/382386173.db2.gz MMZYVAUGQSVKTD-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO CC[C@@H](C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621226 382420807 /nfs/dbraw/zinc/42/08/07/382420807.db2.gz NPXZBGABKACQEA-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC2CCC1CC2 ZINC000378383644 382450779 /nfs/dbraw/zinc/45/07/79/382450779.db2.gz KYHMXUWYTXQFLZ-UHFFFAOYSA-N 1 1 276.336 2.848 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000313677309 382521908 /nfs/dbraw/zinc/52/19/08/382521908.db2.gz OHZMLLJVYJDZRP-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000313677309 382521913 /nfs/dbraw/zinc/52/19/13/382521913.db2.gz OHZMLLJVYJDZRP-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000189258870 382576246 /nfs/dbraw/zinc/57/62/46/382576246.db2.gz VGPRWTPPSISDAH-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000189258870 382576251 /nfs/dbraw/zinc/57/62/51/382576251.db2.gz VGPRWTPPSISDAH-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000366762917 382549860 /nfs/dbraw/zinc/54/98/60/382549860.db2.gz YQDOSKVAWTUKHW-CYBMUJFWSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000366762917 382549864 /nfs/dbraw/zinc/54/98/64/382549864.db2.gz YQDOSKVAWTUKHW-CYBMUJFWSA-N 1 1 284.319 2.588 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791493 382577072 /nfs/dbraw/zinc/57/70/72/382577072.db2.gz NMQVWRXHWXFCGZ-SMDDNHRTSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000294833220 382533999 /nfs/dbraw/zinc/53/39/99/382533999.db2.gz AIRYITFVUXXPQD-GFCCVEGCSA-N 1 1 275.352 2.515 20 5 CFBDMO C[N@H+](CCOC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000346836776 382536270 /nfs/dbraw/zinc/53/62/70/382536270.db2.gz CFVRUDRLBUEKEH-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@@H+](CCOC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000346836776 382536275 /nfs/dbraw/zinc/53/62/75/382536275.db2.gz CFVRUDRLBUEKEH-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1c(C[N@@H+](C(C)C)C2COC2)cccc1[N+](=O)[O-] ZINC000295263470 382602449 /nfs/dbraw/zinc/60/24/49/382602449.db2.gz BUUKLZHCTOIMSJ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1c(C[N@H+](C(C)C)C2COC2)cccc1[N+](=O)[O-] ZINC000295263470 382602454 /nfs/dbraw/zinc/60/24/54/382602454.db2.gz BUUKLZHCTOIMSJ-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO COc1cnccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000189554619 382623835 /nfs/dbraw/zinc/62/38/35/382623835.db2.gz DNYURJSBEUDPGH-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749330 382625277 /nfs/dbraw/zinc/62/52/77/382625277.db2.gz FNUGVCIVIZVUHJ-QWRGUYRKSA-N 1 1 294.351 2.842 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821504 382578480 /nfs/dbraw/zinc/57/84/80/382578480.db2.gz RRADFWIOCPZVOY-ZWNOBZJWSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC000295205211 382583084 /nfs/dbraw/zinc/58/30/84/382583084.db2.gz TXDVFEJQODAEOG-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312242 382661525 /nfs/dbraw/zinc/66/15/25/382661525.db2.gz KQEBMTMTFIBJKL-WCQYABFASA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312242 382661526 /nfs/dbraw/zinc/66/15/26/382661526.db2.gz KQEBMTMTFIBJKL-WCQYABFASA-N 1 1 264.325 2.594 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000190407924 382666400 /nfs/dbraw/zinc/66/64/00/382666400.db2.gz TUUJPGQYBFOSCV-NSHDSACASA-N 1 1 296.392 2.788 20 5 CFBDMO C[C@H]1CSCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190438005 382668250 /nfs/dbraw/zinc/66/82/50/382668250.db2.gz ITCBKANEMZIZHR-GFCCVEGCSA-N 1 1 280.393 2.822 20 5 CFBDMO COc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190456156 382668984 /nfs/dbraw/zinc/66/89/84/382668984.db2.gz WOHISRQULIJSES-LLVKDONJSA-N 1 1 296.392 2.788 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190467612 382669740 /nfs/dbraw/zinc/66/97/40/382669740.db2.gz WJTVQJVBVHSHBA-NSHDSACASA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191176819 382694409 /nfs/dbraw/zinc/69/44/09/382694409.db2.gz OIZYFOAYNDHTDF-NXEZZACHSA-N 1 1 298.770 2.982 20 5 CFBDMO C[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192617658 382710633 /nfs/dbraw/zinc/71/06/33/382710633.db2.gz STUCUZNYXDQGHR-MRXNPFEDSA-N 1 1 289.379 2.656 20 5 CFBDMO C[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000193040583 382714950 /nfs/dbraw/zinc/71/49/50/382714950.db2.gz XSEMAXOGKUWLOR-HNNXBMFYSA-N 1 1 294.351 2.570 20 5 CFBDMO C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000193040583 382714951 /nfs/dbraw/zinc/71/49/51/382714951.db2.gz XSEMAXOGKUWLOR-HNNXBMFYSA-N 1 1 294.351 2.570 20 5 CFBDMO Cc1c(C[NH2+]Cc2cn3ccccc3n2)cccc1[N+](=O)[O-] ZINC000336861591 382736194 /nfs/dbraw/zinc/73/61/94/382736194.db2.gz CXUXJAOFQOXCQW-UHFFFAOYSA-N 1 1 296.330 2.841 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000226098357 382824838 /nfs/dbraw/zinc/82/48/38/382824838.db2.gz IMWAIFTXDRZKNB-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO CCOc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000228210180 382845578 /nfs/dbraw/zinc/84/55/78/382845578.db2.gz GQMKYXMDIMDGQY-RYUDHWBXSA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cccc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000579348507 383005769 /nfs/dbraw/zinc/00/57/69/383005769.db2.gz OIHNIHHEKQQXIW-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192410 382968632 /nfs/dbraw/zinc/96/86/32/382968632.db2.gz LCFNASPQJQZEJF-DOMZBBRYSA-N 1 1 278.352 2.811 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@H+]1CC=CCC1 ZINC000338713304 383029561 /nfs/dbraw/zinc/02/95/61/383029561.db2.gz QDBJBSSDCPSXJG-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@@H+]1CC=CCC1 ZINC000338713304 383029564 /nfs/dbraw/zinc/02/95/64/383029564.db2.gz QDBJBSSDCPSXJG-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245788179 383036043 /nfs/dbraw/zinc/03/60/43/383036043.db2.gz VPMYKXXDIAKXQZ-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245931826 383049900 /nfs/dbraw/zinc/04/99/00/383049900.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000245931826 383049910 /nfs/dbraw/zinc/04/99/10/383049910.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000245931826 383049912 /nfs/dbraw/zinc/04/99/12/383049912.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 1 1 291.395 2.929 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000448355214 383056559 /nfs/dbraw/zinc/05/65/59/383056559.db2.gz MXJJYAFLONVDLS-HNNXBMFYSA-N 1 1 292.379 2.921 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423355097 383062678 /nfs/dbraw/zinc/06/26/78/383062678.db2.gz DVEIJQAKIZAYRD-CZUORRHYSA-N 1 1 289.379 2.704 20 5 CFBDMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423433433 383094896 /nfs/dbraw/zinc/09/48/96/383094896.db2.gz CJIATJDVNQFWAC-RMRHIDDWSA-N 1 1 291.395 2.631 20 5 CFBDMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812995 383107615 /nfs/dbraw/zinc/10/76/15/383107615.db2.gz ARXMLUBFGDQHPT-HEHGZKQESA-N 1 1 291.395 2.974 20 5 CFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812995 383107617 /nfs/dbraw/zinc/10/76/17/383107617.db2.gz ARXMLUBFGDQHPT-HEHGZKQESA-N 1 1 291.395 2.974 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247966812 383202865 /nfs/dbraw/zinc/20/28/65/383202865.db2.gz GXMUOCHMOKOEFY-CHWSQXEVSA-N 1 1 295.408 2.572 20 5 CFBDMO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1COC1 ZINC000449349728 383231872 /nfs/dbraw/zinc/23/18/72/383231872.db2.gz GUVAVBARYRJRKD-ALCCZGGFSA-N 1 1 276.336 2.717 20 5 CFBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1COC1 ZINC000449349728 383231874 /nfs/dbraw/zinc/23/18/74/383231874.db2.gz GUVAVBARYRJRKD-ALCCZGGFSA-N 1 1 276.336 2.717 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449491951 383330919 /nfs/dbraw/zinc/33/09/19/383330919.db2.gz ICPPZQMVMTTZMZ-WFASDCNBSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cncnc3)C2)cc1 ZINC000449496281 383334056 /nfs/dbraw/zinc/33/40/56/383334056.db2.gz GMYKVYYDYVFFMF-OAHLLOKOSA-N 1 1 298.346 2.764 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000567994899 383341984 /nfs/dbraw/zinc/34/19/84/383341984.db2.gz XUYXITOYSQJFEZ-GDBMZVCRSA-N 1 1 292.379 2.620 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000567790054 383315960 /nfs/dbraw/zinc/31/59/60/383315960.db2.gz MKJOTMCFYUQPMA-CQSZACIVSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630796 383358667 /nfs/dbraw/zinc/35/86/67/383358667.db2.gz JEIYXTKIYBFMQV-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450948199 383562807 /nfs/dbraw/zinc/56/28/07/383562807.db2.gz FDOWFZMAOINGLM-AWEZNQCLSA-N 1 1 277.368 2.822 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000490084126 383651919 /nfs/dbraw/zinc/65/19/19/383651919.db2.gz HSHZMMRENUTUPR-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000490084122 383652326 /nfs/dbraw/zinc/65/23/26/383652326.db2.gz HSHZMMRENUTUPR-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000573089477 383868930 /nfs/dbraw/zinc/86/89/30/383868930.db2.gz VZBYNULWIMHSRC-NSHDSACASA-N 1 1 286.278 2.717 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000573089477 383868936 /nfs/dbraw/zinc/86/89/36/383868936.db2.gz VZBYNULWIMHSRC-NSHDSACASA-N 1 1 286.278 2.717 20 5 CFBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728557 383913949 /nfs/dbraw/zinc/91/39/49/383913949.db2.gz MTJXPGQQPRDCOQ-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728557 383913955 /nfs/dbraw/zinc/91/39/55/383913955.db2.gz MTJXPGQQPRDCOQ-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728559 383914219 /nfs/dbraw/zinc/91/42/19/383914219.db2.gz MTJXPGQQPRDCOQ-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728559 383914223 /nfs/dbraw/zinc/91/42/23/383914223.db2.gz MTJXPGQQPRDCOQ-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000531962931 383948275 /nfs/dbraw/zinc/94/82/75/383948275.db2.gz JJFFEGVGUAQAIC-STQMWFEESA-N 1 1 279.384 2.894 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266261321 384130277 /nfs/dbraw/zinc/13/02/77/384130277.db2.gz PCPFWWUZZPQGQW-JQWIXIFHSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCO1 ZINC000266765501 384234269 /nfs/dbraw/zinc/23/42/69/384234269.db2.gz UXDHMWZZIBUQRJ-NWDGAFQWSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000266633830 384212193 /nfs/dbraw/zinc/21/21/93/384212193.db2.gz JWORVYXDNDVEKQ-GFCCVEGCSA-N 1 1 293.367 2.818 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266909999 384259332 /nfs/dbraw/zinc/25/93/32/384259332.db2.gz LAFOLFMNLOGJGT-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266909999 384259338 /nfs/dbraw/zinc/25/93/38/384259338.db2.gz LAFOLFMNLOGJGT-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266990312 384275073 /nfs/dbraw/zinc/27/50/73/384275073.db2.gz AMNTYIDEYCNWBJ-AAEUAGOBSA-N 1 1 295.358 2.648 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@H]2CCCC[N@@H+]2C2CC2)cs1 ZINC000277475105 384313350 /nfs/dbraw/zinc/31/33/50/384313350.db2.gz KVPPEIWWCRVCAD-CYBMUJFWSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@H]2CCCC[N@H+]2C2CC2)cs1 ZINC000277475105 384313358 /nfs/dbraw/zinc/31/33/58/384313358.db2.gz KVPPEIWWCRVCAD-CYBMUJFWSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277420492 384297175 /nfs/dbraw/zinc/29/71/75/384297175.db2.gz ARTNWHCEKDBJLG-INIZCTEOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277420492 384297182 /nfs/dbraw/zinc/29/71/82/384297182.db2.gz ARTNWHCEKDBJLG-INIZCTEOSA-N 1 1 289.379 2.701 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCOC1 ZINC000267464649 384397900 /nfs/dbraw/zinc/39/79/00/384397900.db2.gz WCIMWSRMVCDUHV-NWDGAFQWSA-N 1 1 264.325 2.624 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000277823374 384415870 /nfs/dbraw/zinc/41/58/70/384415870.db2.gz RBHUWYHYFBCDFP-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000449528762 285113760 /nfs/dbraw/zinc/11/37/60/285113760.db2.gz RTAYDZVLICIFAT-AWEZNQCLSA-N 1 1 278.377 2.922 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnccn1 ZINC000347360737 220287293 /nfs/dbraw/zinc/28/72/93/220287293.db2.gz OEBWAGRRPLFYPQ-JYRVWZFOSA-N 1 1 298.346 2.920 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnccn1 ZINC000347360737 220287298 /nfs/dbraw/zinc/28/72/98/220287298.db2.gz OEBWAGRRPLFYPQ-JYRVWZFOSA-N 1 1 298.346 2.920 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCOCC3)cc1 ZINC000371333796 285112059 /nfs/dbraw/zinc/11/20/59/285112059.db2.gz CBVKBAZAKHPSAE-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289401053 197330021 /nfs/dbraw/zinc/33/00/21/197330021.db2.gz KZFRDKQYYAPLDW-HOCLYGCPSA-N 1 1 290.363 2.750 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000279591701 384689114 /nfs/dbraw/zinc/68/91/14/384689114.db2.gz CPHHRZABEHBQCI-CYBMUJFWSA-N 1 1 279.384 2.723 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662457 384825920 /nfs/dbraw/zinc/82/59/20/384825920.db2.gz KPEPEULEBSFPLS-BXUZGUMPSA-N 1 1 266.341 2.605 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@@H]3CCOC3)C2)cc1 ZINC000331534849 285138757 /nfs/dbraw/zinc/13/87/57/285138757.db2.gz XPVRBIMKIIDJMW-UKRRQHHQSA-N 1 1 276.336 2.563 20 5 CFBDMO CCC[N@@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269625707 384808519 /nfs/dbraw/zinc/80/85/19/384808519.db2.gz CNRWPWIZECQTLU-HNNXBMFYSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269624265 384809101 /nfs/dbraw/zinc/80/91/01/384809101.db2.gz CAFLZPXBKGVITQ-TYNCELHUSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1occc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687356 384836929 /nfs/dbraw/zinc/83/69/29/384836929.db2.gz TVEMJXUUBMELSD-OAHLLOKOSA-N 1 1 290.319 2.662 20 5 CFBDMO C[N@H+](Cc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269714928 384847552 /nfs/dbraw/zinc/84/75/52/384847552.db2.gz RRBFKQWWUQDTIM-CQSZACIVSA-N 1 1 292.360 2.822 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270071928 384965910 /nfs/dbraw/zinc/96/59/10/384965910.db2.gz IEIAERBDCYOLJP-KYOSRNDESA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)c1[nH+]ccn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000270163534 384998778 /nfs/dbraw/zinc/99/87/78/384998778.db2.gz UEJKUFSQWMZAEB-ZDUSSCGKSA-N 1 1 275.308 2.648 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](CC2CC2)CC1 ZINC000432340077 285155238 /nfs/dbraw/zinc/15/52/38/285155238.db2.gz WUGCFARGUWAXHQ-UHFFFAOYSA-N 1 1 295.770 2.780 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282529593 385334831 /nfs/dbraw/zinc/33/48/31/385334831.db2.gz QJVWHAJHHKJTFG-JTQLQIEISA-N 1 1 284.356 2.919 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000271183072 385365769 /nfs/dbraw/zinc/36/57/69/385365769.db2.gz IDDPMUJBWOMNOH-OAHLLOKOSA-N 1 1 278.352 2.722 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821787 385557641 /nfs/dbraw/zinc/55/76/41/385557641.db2.gz VOJSTYFZSSFFPU-WDEREUQCSA-N 1 1 252.314 2.623 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276954927 386091016 /nfs/dbraw/zinc/09/10/16/386091016.db2.gz UVWAYLNZUJZWQG-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(C[N@H+]2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276954927 386091025 /nfs/dbraw/zinc/09/10/25/386091025.db2.gz UVWAYLNZUJZWQG-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000281703034 195344880 /nfs/dbraw/zinc/34/48/80/195344880.db2.gz NWFFOZBDBYDLOA-RISCZKNCSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000361260481 285371580 /nfs/dbraw/zinc/37/15/80/285371580.db2.gz DVLZJVGUINEHNP-CHWSQXEVSA-N 1 1 292.383 2.607 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000361260488 285398713 /nfs/dbraw/zinc/39/87/13/285398713.db2.gz DVLZJVGUINEHNP-STQMWFEESA-N 1 1 292.383 2.607 20 5 CFBDMO C[C@H]1CCSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191815041 130309902 /nfs/dbraw/zinc/30/99/02/130309902.db2.gz HVEUOQGEGSTSTA-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192183114 130390142 /nfs/dbraw/zinc/39/01/42/130390142.db2.gz NDLSIZFOIHOKSP-GFCCVEGCSA-N 1 1 280.393 2.965 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000248368480 131114481 /nfs/dbraw/zinc/11/44/81/131114481.db2.gz VFVHAUWHWBMWCL-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252200444 131133248 /nfs/dbraw/zinc/13/32/48/131133248.db2.gz TXWTUPZHLIBSJH-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000252647883 131136442 /nfs/dbraw/zinc/13/64/42/131136442.db2.gz UVKVZUSXEAUBKQ-MJBXVCDLSA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000263808066 131335823 /nfs/dbraw/zinc/33/58/23/131335823.db2.gz SKKLUIPSINGFQN-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000302849329 393495694 /nfs/dbraw/zinc/49/56/94/393495694.db2.gz HYTCPQZNTPGGKA-PHIMTYICSA-N 1 1 295.770 2.554 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1C ZINC000183348083 393520138 /nfs/dbraw/zinc/52/01/38/393520138.db2.gz KAEUWIDCWXYIMU-NSHDSACASA-N 1 1 266.366 2.841 20 5 CFBDMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562990 393532527 /nfs/dbraw/zinc/53/25/27/393532527.db2.gz QFDCGKMTYCNFNR-NSHDSACASA-N 1 1 292.364 2.557 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200910 393555007 /nfs/dbraw/zinc/55/50/07/393555007.db2.gz VIBPWTIPVDDWLS-GXTWGEPZSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332239162 393562146 /nfs/dbraw/zinc/56/21/46/393562146.db2.gz QZTSZXVGFVZUIX-JTQLQIEISA-N 1 1 274.324 2.703 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332239162 393562150 /nfs/dbraw/zinc/56/21/50/393562150.db2.gz QZTSZXVGFVZUIX-JTQLQIEISA-N 1 1 274.324 2.703 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189941093 393576428 /nfs/dbraw/zinc/57/64/28/393576428.db2.gz KUYZUAMMEGBNCH-UHFFFAOYSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191822030 393608726 /nfs/dbraw/zinc/60/87/26/393608726.db2.gz HNKXJUFOIRQDRC-LLVKDONJSA-N 1 1 266.366 2.922 20 5 CFBDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411225054 393688589 /nfs/dbraw/zinc/68/85/89/393688589.db2.gz LYEXHYSLRCVJFV-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000218860190 393758520 /nfs/dbraw/zinc/75/85/20/393758520.db2.gz AHQKVFVJXOFFIB-RYUDHWBXSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280026 393693596 /nfs/dbraw/zinc/69/35/96/393693596.db2.gz DDMLESRLVMNDCY-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1cccc(CCNc2cc[nH+]cc2Cl)c1 ZINC000340081443 393835568 /nfs/dbraw/zinc/83/55/68/393835568.db2.gz SQNFNBSNVDXWTI-UHFFFAOYSA-N 1 1 277.711 2.720 20 5 CFBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749167 393940874 /nfs/dbraw/zinc/94/08/74/393940874.db2.gz FUKLOWOLNCKFPX-OLZOCXBDSA-N 1 1 280.372 2.692 20 5 CFBDMO CC1(CO)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000120887521 393942727 /nfs/dbraw/zinc/94/27/27/393942727.db2.gz NLGYMMPTQPLYAO-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430202433 393967123 /nfs/dbraw/zinc/96/71/23/393967123.db2.gz CRTKQMUKCZVYSS-SNVBAGLBSA-N 1 1 252.314 2.834 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCCC1 ZINC000430197038 393967140 /nfs/dbraw/zinc/96/71/40/393967140.db2.gz TWVJEAIFHCFJID-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430283762 393979767 /nfs/dbraw/zinc/97/97/67/393979767.db2.gz KNLAZPGHRJBHSX-LBPRGKRZSA-N 1 1 276.336 2.872 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189366 393991116 /nfs/dbraw/zinc/99/11/16/393991116.db2.gz VHROSFUQOUVXLY-QPUJVOFHSA-N 1 1 296.758 2.538 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796120 393994301 /nfs/dbraw/zinc/99/43/01/393994301.db2.gz BWADZJAIIPDLGO-CZUORRHYSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796118 393994357 /nfs/dbraw/zinc/99/43/57/393994357.db2.gz BWADZJAIIPDLGO-BBRMVZONSA-N 1 1 289.379 2.824 20 5 CFBDMO CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000125185897 394002364 /nfs/dbraw/zinc/00/23/64/394002364.db2.gz HVDAWCMPRMXMQR-LBPRGKRZSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000125185897 394002369 /nfs/dbraw/zinc/00/23/69/394002369.db2.gz HVDAWCMPRMXMQR-LBPRGKRZSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000125699034 394011425 /nfs/dbraw/zinc/01/14/25/394011425.db2.gz DBXQVINPETYJLU-SNVBAGLBSA-N 1 1 275.308 2.968 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125754838 394012794 /nfs/dbraw/zinc/01/27/94/394012794.db2.gz RPZKWMXIJLKGBJ-GFCCVEGCSA-N 1 1 291.351 2.655 20 5 CFBDMO CC(C)c1ccc(CNCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000418119835 394014285 /nfs/dbraw/zinc/01/42/85/394014285.db2.gz ZBDQBKHRTYAEDT-UHFFFAOYSA-N 1 1 291.395 2.902 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCF)o1 ZINC000437234092 394050045 /nfs/dbraw/zinc/05/00/45/394050045.db2.gz HNDRLDKONQTVHG-UHFFFAOYSA-N 1 1 264.256 2.914 20 5 CFBDMO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])cc1O ZINC000419819397 394064456 /nfs/dbraw/zinc/06/44/56/394064456.db2.gz NLQSNWIIRIVYFE-GHMZBOCLSA-N 1 1 298.314 2.679 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000273504989 394034777 /nfs/dbraw/zinc/03/47/77/394034777.db2.gz ZLLUKFCTVHLOGG-CABCVRRESA-N 1 1 276.336 2.657 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000273504989 394034781 /nfs/dbraw/zinc/03/47/81/394034781.db2.gz ZLLUKFCTVHLOGG-CABCVRRESA-N 1 1 276.336 2.657 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C ZINC000444690543 394145355 /nfs/dbraw/zinc/14/53/55/394145355.db2.gz UCIGSZKSLCCAHY-QWRGUYRKSA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C ZINC000444690543 394145359 /nfs/dbraw/zinc/14/53/59/394145359.db2.gz UCIGSZKSLCCAHY-QWRGUYRKSA-N 1 1 288.351 2.949 20 5 CFBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084561 394145418 /nfs/dbraw/zinc/14/54/18/394145418.db2.gz UBLUXAPXSQQJGT-MNOVXSKESA-N 1 1 281.331 2.571 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444646018 394145462 /nfs/dbraw/zinc/14/54/62/394145462.db2.gz XZOUIKOFJYQANA-VHSXEESVSA-N 1 1 274.324 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000421043928 394168414 /nfs/dbraw/zinc/16/84/14/394168414.db2.gz RMAKMGSYNWEGJE-ZDUSSCGKSA-N 1 1 278.352 2.579 20 5 CFBDMO CC(C)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220287 394212595 /nfs/dbraw/zinc/21/25/95/394212595.db2.gz ZZLDGZNHZFHGGR-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220287 394212602 /nfs/dbraw/zinc/21/26/02/394212602.db2.gz ZZLDGZNHZFHGGR-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000291290509 394238396 /nfs/dbraw/zinc/23/83/96/394238396.db2.gz PPBPMHQNMSKEPR-ZDUSSCGKSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000291290509 394238400 /nfs/dbraw/zinc/23/84/00/394238400.db2.gz PPBPMHQNMSKEPR-ZDUSSCGKSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148483397 394248482 /nfs/dbraw/zinc/24/84/82/394248482.db2.gz QCZVABXNSHSBIE-JTQLQIEISA-N 1 1 298.774 2.785 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292793 394281881 /nfs/dbraw/zinc/28/18/81/394281881.db2.gz ZHBLDEDSDAVPNS-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018272 394305405 /nfs/dbraw/zinc/30/54/05/394305405.db2.gz RQXAZTQGMADGAC-DITUJHHDSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018272 394305414 /nfs/dbraw/zinc/30/54/14/394305414.db2.gz RQXAZTQGMADGAC-DITUJHHDSA-N 1 1 289.379 2.871 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000494014454 394339641 /nfs/dbraw/zinc/33/96/41/394339641.db2.gz DBGKUWPLDZRBFB-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO COC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494159131 394343397 /nfs/dbraw/zinc/34/33/97/394343397.db2.gz BKAJJCNWRFRNIU-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1c([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176024 394355134 /nfs/dbraw/zinc/35/51/34/394355134.db2.gz GCAJITAUAGNHOW-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176024 394355136 /nfs/dbraw/zinc/35/51/36/394355136.db2.gz GCAJITAUAGNHOW-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000158176024 394355138 /nfs/dbraw/zinc/35/51/38/394355138.db2.gz GCAJITAUAGNHOW-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000158656669 394359535 /nfs/dbraw/zinc/35/95/35/394359535.db2.gz OLLOVEMNJHYVJQ-UHFFFAOYSA-N 1 1 290.319 2.669 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518718612 394371372 /nfs/dbraw/zinc/37/13/72/394371372.db2.gz ZYKCDMUJFUIMKB-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO COc1cccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453382705 394393338 /nfs/dbraw/zinc/39/33/38/394393338.db2.gz ZMQIJSBDZXXAKJ-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CCCO)C1 ZINC000452128383 394379012 /nfs/dbraw/zinc/37/90/12/394379012.db2.gz MBPBBYBJIIFOQR-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178221770 394386681 /nfs/dbraw/zinc/38/66/81/394386681.db2.gz NMLPXLDDPGUTLM-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cnc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000536021577 394551810 /nfs/dbraw/zinc/55/18/10/394551810.db2.gz CQSWEPUKUBITEE-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cnc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000536021577 394551814 /nfs/dbraw/zinc/55/18/14/394551814.db2.gz CQSWEPUKUBITEE-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000536357383 394555168 /nfs/dbraw/zinc/55/51/68/394555168.db2.gz ZEJLZFXGLYQXEQ-RWMBFGLXSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000547769250 394888486 /nfs/dbraw/zinc/88/84/86/394888486.db2.gz VVBGKWGEBAOZSI-JFGNBEQYSA-N 1 1 291.351 2.713 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000547769250 394888487 /nfs/dbraw/zinc/88/84/87/394888487.db2.gz VVBGKWGEBAOZSI-JFGNBEQYSA-N 1 1 291.351 2.713 20 5 CFBDMO Cc1ccc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356357456 155237971 /nfs/dbraw/zinc/23/79/71/155237971.db2.gz FYEPFMIXNNHPGG-DOMZBBRYSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000356357439 155238200 /nfs/dbraw/zinc/23/82/00/155238200.db2.gz FXISKQUBXUWABK-IUODEOHRSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H](O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000354866632 154840921 /nfs/dbraw/zinc/84/09/21/154840921.db2.gz SFRWFEUTYOJNMC-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000363874000 156200358 /nfs/dbraw/zinc/20/03/58/156200358.db2.gz GIMAZPXOJRUIIO-UHFFFAOYSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCCCCF)C2)c1 ZINC000367080784 156279716 /nfs/dbraw/zinc/27/97/16/156279716.db2.gz OATNFYKDGINJJW-GFCCVEGCSA-N 1 1 284.335 2.568 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC23CCOCC3)c1 ZINC000367320536 156313835 /nfs/dbraw/zinc/31/38/35/156313835.db2.gz WNXBVGYZNKXQGR-UHFFFAOYSA-N 1 1 276.336 2.740 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2CCC1CC2 ZINC000373761552 157028693 /nfs/dbraw/zinc/02/86/93/157028693.db2.gz RLHGKPSPUONARI-UHFFFAOYSA-N 1 1 276.336 2.978 20 5 CFBDMO C[NH+]1CCC2(CCCN2Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000374326495 157100219 /nfs/dbraw/zinc/10/02/19/157100219.db2.gz SOGPIGCUJDJACR-UHFFFAOYSA-N 1 1 289.379 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1F ZINC000374906483 157171701 /nfs/dbraw/zinc/17/17/01/157171701.db2.gz AMDRULNSVFXMLD-WFASDCNBSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375019559 157184718 /nfs/dbraw/zinc/18/47/18/157184718.db2.gz MBERLBODXUDGOR-XJKCOSOUSA-N 1 1 289.379 2.682 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000350749326 163104446 /nfs/dbraw/zinc/10/44/46/163104446.db2.gz RRDSTGQZALJFEZ-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351498140 163135022 /nfs/dbraw/zinc/13/50/22/163135022.db2.gz AIDFBNQURPNFPU-KQQSKNTNSA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[N@H+](C)C(C)C ZINC000353061735 163300080 /nfs/dbraw/zinc/30/00/80/163300080.db2.gz OLSMKZDTSQSVHC-ZDUSSCGKSA-N 1 1 279.384 2.722 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CN(C)C(C)C ZINC000353061735 163300083 /nfs/dbraw/zinc/30/00/83/163300083.db2.gz OLSMKZDTSQSVHC-ZDUSSCGKSA-N 1 1 279.384 2.722 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3cc[nH]c3n2)cs1 ZINC000353225079 163320174 /nfs/dbraw/zinc/32/01/74/163320174.db2.gz LIZIXFDAAOJOKV-UHFFFAOYSA-N 1 1 288.332 2.822 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCC1 ZINC000353492763 163379126 /nfs/dbraw/zinc/37/91/26/163379126.db2.gz VCBSEFBYCRLITO-NSHDSACASA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284315127 196028883 /nfs/dbraw/zinc/02/88/83/196028883.db2.gz ASEVYDITPGAFOA-HUUCEWRRSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000021061338 171297339 /nfs/dbraw/zinc/29/73/39/171297339.db2.gz WCXZDGOBADQNCS-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277387 172097370 /nfs/dbraw/zinc/09/73/70/172097370.db2.gz SYSWAXHRXFHSKC-CYBMUJFWSA-N 1 1 263.341 2.799 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000285298360 196244198 /nfs/dbraw/zinc/24/41/98/196244198.db2.gz KYCWYCSKQSANGN-CQSZACIVSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038088195 174100826 /nfs/dbraw/zinc/10/08/26/174100826.db2.gz CSPJRTPPDMGKDS-VXGBXAGGSA-N 1 1 265.357 2.504 20 5 CFBDMO CCN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038098041 174112396 /nfs/dbraw/zinc/11/23/96/174112396.db2.gz NMDPFMIKEKCSDN-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040503277 174300098 /nfs/dbraw/zinc/30/00/98/174300098.db2.gz VFRKQMNHOBDNNF-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000040676208 174373717 /nfs/dbraw/zinc/37/37/17/174373717.db2.gz OHHMFOGHSFHKGG-UHFFFAOYSA-N 1 1 257.293 2.953 20 5 CFBDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534127 175196836 /nfs/dbraw/zinc/19/68/36/175196836.db2.gz YQKQOUWAJLXWJN-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534127 175196837 /nfs/dbraw/zinc/19/68/37/175196837.db2.gz YQKQOUWAJLXWJN-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534127 175196839 /nfs/dbraw/zinc/19/68/39/175196839.db2.gz YQKQOUWAJLXWJN-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)C1 ZINC000044537743 175199549 /nfs/dbraw/zinc/19/95/49/175199549.db2.gz UYYWRTZAGDXIJF-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949592 270310354 /nfs/dbraw/zinc/31/03/54/270310354.db2.gz HBSKSKVBMZGHDU-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949592 270310355 /nfs/dbraw/zinc/31/03/55/270310355.db2.gz HBSKSKVBMZGHDU-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518746 270254490 /nfs/dbraw/zinc/25/44/90/270254490.db2.gz XXQCARCALPQMOR-GFCCVEGCSA-N 1 1 288.351 2.911 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518746 270254492 /nfs/dbraw/zinc/25/44/92/270254492.db2.gz XXQCARCALPQMOR-GFCCVEGCSA-N 1 1 288.351 2.911 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000093232583 263309850 /nfs/dbraw/zinc/30/98/50/263309850.db2.gz JXPJSAKIQNZSSG-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(C)(C)C1 ZINC000072827714 264274024 /nfs/dbraw/zinc/27/40/24/264274024.db2.gz XNWOIVOAZGHGRE-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000514644527 266025374 /nfs/dbraw/zinc/02/53/74/266025374.db2.gz OGOQOMSAJFVIEY-CHWSQXEVSA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227808699 270257811 /nfs/dbraw/zinc/25/78/11/270257811.db2.gz RKCPXYJXIBEAGJ-RYUDHWBXSA-N 1 1 263.341 2.798 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000250087367 270271908 /nfs/dbraw/zinc/27/19/08/270271908.db2.gz PWASIDQBVQXSQS-MLGOLLRUSA-N 1 1 292.379 2.921 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000827720307 782042036 /nfs/dbraw/zinc/04/20/36/782042036.db2.gz CAGPNZQLSVCNQP-JSGCOSHPSA-N 1 1 289.335 2.550 20 5 CFBDMO CO[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285584792 274074312 /nfs/dbraw/zinc/07/43/12/274074312.db2.gz IICZMMKWGFXXNM-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285584792 274074315 /nfs/dbraw/zinc/07/43/15/274074315.db2.gz IICZMMKWGFXXNM-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332239165 274291404 /nfs/dbraw/zinc/29/14/04/274291404.db2.gz QZTSZXVGFVZUIX-SNVBAGLBSA-N 1 1 274.324 2.703 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332239165 274291406 /nfs/dbraw/zinc/29/14/06/274291406.db2.gz QZTSZXVGFVZUIX-SNVBAGLBSA-N 1 1 274.324 2.703 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C2CC2)CC1 ZINC000049390340 275033326 /nfs/dbraw/zinc/03/33/26/275033326.db2.gz WWCISUOONOHJPJ-UHFFFAOYSA-N 1 1 281.743 2.533 20 5 CFBDMO CC(C)c1ccc(CN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000435230327 276052617 /nfs/dbraw/zinc/05/26/17/276052617.db2.gz OVUAIYRXGLEQNR-UHFFFAOYSA-N 1 1 291.395 2.856 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000045692580 276104820 /nfs/dbraw/zinc/10/48/20/276104820.db2.gz ZWNZPVGITAMFGU-CYBMUJFWSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[N@H+]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877578 276253828 /nfs/dbraw/zinc/25/38/28/276253828.db2.gz PFDFNTLUQLZKQW-SCRDCRAPSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@@H+]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877578 276253831 /nfs/dbraw/zinc/25/38/31/276253831.db2.gz PFDFNTLUQLZKQW-SCRDCRAPSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000353810990 276353635 /nfs/dbraw/zinc/35/36/35/276353635.db2.gz DXTALADDHCCDNA-UHFFFAOYSA-N 1 1 292.335 2.836 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000268816373 277084502 /nfs/dbraw/zinc/08/45/02/277084502.db2.gz IMGMHDVMQMFGLL-SWLSCSKDSA-N 1 1 275.352 2.515 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)F ZINC000298016070 278236609 /nfs/dbraw/zinc/23/66/09/278236609.db2.gz CWTAPYYINDOYLN-VIFPVBQESA-N 1 1 258.268 2.771 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635515 278282865 /nfs/dbraw/zinc/28/28/65/278282865.db2.gz LXDZQASNPCSFGC-RCBQFDQVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635515 278282867 /nfs/dbraw/zinc/28/28/67/278282867.db2.gz LXDZQASNPCSFGC-RCBQFDQVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H](NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049574768 278346918 /nfs/dbraw/zinc/34/69/18/278346918.db2.gz LIKSDTDTFLEVIQ-CYBMUJFWSA-N 1 1 277.368 2.731 20 5 CFBDMO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423383803 288090499 /nfs/dbraw/zinc/09/04/99/288090499.db2.gz FGXPXNWZWQEKJR-UGFHNGPFSA-N 1 1 277.368 2.634 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176925 279107450 /nfs/dbraw/zinc/10/74/50/279107450.db2.gz GVQGWQKJDMINGD-LBPRGKRZSA-N 1 1 265.357 2.587 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434368 288207912 /nfs/dbraw/zinc/20/79/12/288207912.db2.gz CGVPSGHFANVAOD-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000089511912 280563146 /nfs/dbraw/zinc/56/31/46/280563146.db2.gz COQWTCNKKSKKPL-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268881272 281014301 /nfs/dbraw/zinc/01/43/01/281014301.db2.gz WLGATTUVSRLZAM-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](CCO)CC1CC1 ZINC000352450542 281019551 /nfs/dbraw/zinc/01/95/51/281019551.db2.gz RJELIYROLWOHIH-GFCCVEGCSA-N 1 1 278.352 2.669 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305805631 281021329 /nfs/dbraw/zinc/02/13/29/281021329.db2.gz GDKRADDVPSZYJI-TYNCELHUSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420319809 281022828 /nfs/dbraw/zinc/02/28/28/281022828.db2.gz POASBYLIXRTGCZ-RWMBFGLXSA-N 1 1 277.368 2.633 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000249035440 281045331 /nfs/dbraw/zinc/04/53/31/281045331.db2.gz CEAHWSNMTAOQKG-WBMJQRKESA-N 1 1 292.379 2.921 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251022616 281071436 /nfs/dbraw/zinc/07/14/36/281071436.db2.gz WAARGZCURORSAC-OLZOCXBDSA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763226 281209041 /nfs/dbraw/zinc/20/90/41/281209041.db2.gz WQPNUKZWCWETQE-WDEREUQCSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccco1 ZINC000563820355 290177119 /nfs/dbraw/zinc/17/71/19/290177119.db2.gz FXPGESDILDVFGJ-ZDUSSCGKSA-N 1 1 258.277 2.965 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000368389733 290233660 /nfs/dbraw/zinc/23/36/60/290233660.db2.gz YLRBLHJQTJAJAK-GWCFXTLKSA-N 1 1 295.770 2.779 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000564918634 290249474 /nfs/dbraw/zinc/24/94/74/290249474.db2.gz ZGIWWDQBLBZXIB-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294860211 300297550 /nfs/dbraw/zinc/29/75/50/300297550.db2.gz DCYWHRJUJFGRIP-LLVKDONJSA-N 1 1 293.342 2.654 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000161472547 322351973 /nfs/dbraw/zinc/35/19/73/322351973.db2.gz IVEGSXUWAMVYSR-GFCCVEGCSA-N 1 1 277.368 2.648 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC000223250866 521609897 /nfs/dbraw/zinc/60/98/97/521609897.db2.gz JICBLLAWOVFQLQ-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000361268370 519663335 /nfs/dbraw/zinc/66/33/35/519663335.db2.gz VOFXFCNARSRZSO-UHFFFAOYSA-N 1 1 274.324 2.844 20 5 CFBDMO CCC[C@H](N[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730606 521174997 /nfs/dbraw/zinc/17/49/97/521174997.db2.gz YCZZKACNIIIGEV-DOMZBBRYSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000195527219 521446405 /nfs/dbraw/zinc/44/64/05/521446405.db2.gz XIZAZJMRADKVRG-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO CCC[N@@H+](CC)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220277473 521610471 /nfs/dbraw/zinc/61/04/71/521610471.db2.gz BLIQAIHOIBZBFW-UHFFFAOYSA-N 1 1 291.355 2.615 20 5 CFBDMO COc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000361147293 522486057 /nfs/dbraw/zinc/48/60/57/522486057.db2.gz UEFRUHRQYBQXBA-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413160303 534768830 /nfs/dbraw/zinc/76/88/30/534768830.db2.gz LWWFIVOSTSVGMO-UHFFFAOYSA-N 1 1 293.302 2.526 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+](C)C2CCCC2)n1 ZINC000359112012 524336868 /nfs/dbraw/zinc/33/68/68/524336868.db2.gz WVFYVOFYPZFSFY-UHFFFAOYSA-N 1 1 292.383 2.893 20 5 CFBDMO Cc1cccc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000338702068 524699953 /nfs/dbraw/zinc/69/99/53/524699953.db2.gz BNGMBCBOHGMSRO-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000230378566 525881887 /nfs/dbraw/zinc/88/18/87/525881887.db2.gz GSKIGECJGDHKAB-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000230378566 525881894 /nfs/dbraw/zinc/88/18/94/525881894.db2.gz GSKIGECJGDHKAB-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1c([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000166262701 525917584 /nfs/dbraw/zinc/91/75/84/525917584.db2.gz VFSKQLQJCDGFIG-BLLLJJGKSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000162715564 526059933 /nfs/dbraw/zinc/05/99/33/526059933.db2.gz OEHAUBFGCFWZOZ-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(NCC[N@H+]2CC=CCC2)c(F)c1 ZINC000360114604 527336467 /nfs/dbraw/zinc/33/64/67/527336467.db2.gz HVLDMWJKSZJIGY-UHFFFAOYSA-N 1 1 283.278 2.547 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(NCC[N@@H+]2CC=CCC2)c(F)c1 ZINC000360114604 527336474 /nfs/dbraw/zinc/33/64/74/527336474.db2.gz HVLDMWJKSZJIGY-UHFFFAOYSA-N 1 1 283.278 2.547 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152976155 527347722 /nfs/dbraw/zinc/34/77/22/527347722.db2.gz XTAUKPGMEXHNSC-GDBMZVCRSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160747182 527348594 /nfs/dbraw/zinc/34/85/94/527348594.db2.gz YLSGSGQUKNXFTN-ZBFHGGJFSA-N 1 1 290.363 2.722 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCO)c(Cl)c1 ZINC000311329821 527349210 /nfs/dbraw/zinc/34/92/10/527349210.db2.gz FWYZMRVHHYOIFM-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[C@@H](NCC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423224846 529008454 /nfs/dbraw/zinc/00/84/54/529008454.db2.gz CWGFEVHWHYHFMC-SMDDNHRTSA-N 1 1 265.357 2.763 20 5 CFBDMO CC[C@H](C)[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848475 529238069 /nfs/dbraw/zinc/23/80/69/529238069.db2.gz RGKRJRKDHAHVDM-RYUDHWBXSA-N 1 1 280.372 2.690 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341822068 534949862 /nfs/dbraw/zinc/94/98/62/534949862.db2.gz KSONAIBIFPDXSH-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000449788353 535245493 /nfs/dbraw/zinc/24/54/93/535245493.db2.gz XRFUCWYGDDDYQF-LBPRGKRZSA-N 1 1 283.397 2.571 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450170 574074808 /nfs/dbraw/zinc/07/48/08/574074808.db2.gz ODEMCGHKVPVXEO-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746108170 574134474 /nfs/dbraw/zinc/13/44/74/574134474.db2.gz XYGVYQQITLJKCW-UHFFFAOYSA-N 1 1 299.758 2.919 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900285 574135477 /nfs/dbraw/zinc/13/54/77/574135477.db2.gz GLBWSOPTHRNHEV-GFCCVEGCSA-N 1 1 286.335 2.758 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCCCO)C1CC1 ZINC000746674338 574162241 /nfs/dbraw/zinc/16/22/41/574162241.db2.gz UTJPIHNBLVKKOY-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO CC1=CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000755771517 574186807 /nfs/dbraw/zinc/18/68/07/574186807.db2.gz WHLVAJWYZANUTE-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CC1=CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000755771517 574186809 /nfs/dbraw/zinc/18/68/09/574186809.db2.gz WHLVAJWYZANUTE-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000747744660 574209855 /nfs/dbraw/zinc/20/98/55/574209855.db2.gz PPJOQCNYINSIIR-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CCC[N@@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000750604950 574348987 /nfs/dbraw/zinc/34/89/87/574348987.db2.gz ZPTVMRKVZQBHRL-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752302235 574390250 /nfs/dbraw/zinc/39/02/50/574390250.db2.gz ZXWXVHYKGCYXDN-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752302235 574390251 /nfs/dbraw/zinc/39/02/51/574390251.db2.gz ZXWXVHYKGCYXDN-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000891642838 617693846 /nfs/dbraw/zinc/69/38/46/617693846.db2.gz DKYFAZCOZHZYRN-SECBINFHSA-N 1 1 280.324 2.539 20 5 CFBDMO CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778401364 617858770 /nfs/dbraw/zinc/85/87/70/617858770.db2.gz WILAUUGBLRSXOR-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778401364 617858773 /nfs/dbraw/zinc/85/87/73/617858773.db2.gz WILAUUGBLRSXOR-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000892069924 617937477 /nfs/dbraw/zinc/93/74/77/617937477.db2.gz QIAAATZTVDZIKY-GHMZBOCLSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892209631 617999870 /nfs/dbraw/zinc/99/98/70/617999870.db2.gz CJNLFJQEGYJTPE-UWVGGRQHSA-N 1 1 280.324 2.539 20 5 CFBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H](C)CC ZINC000077435526 618136025 /nfs/dbraw/zinc/13/60/25/618136025.db2.gz XOIYQTCXNCZYBE-LLVKDONJSA-N 1 1 254.334 2.649 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000891456954 618221861 /nfs/dbraw/zinc/22/18/61/618221861.db2.gz NWADGOYTZJNPKO-JTQLQIEISA-N 1 1 280.324 2.683 20 5 CFBDMO Cc1cc(NCCn2cc[nH+]c2C)c([N+](=O)[O-])s1 ZINC000895113844 618315475 /nfs/dbraw/zinc/31/54/75/618315475.db2.gz AYQGPRVNTGLXEZ-UHFFFAOYSA-N 1 1 266.326 2.582 20 5 CFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000895193287 618460785 /nfs/dbraw/zinc/46/07/85/618460785.db2.gz SPVGDOGYSZIGDR-CMPLNLGQSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000895466995 618600585 /nfs/dbraw/zinc/60/05/85/618600585.db2.gz ZSARIYGHZPTFMY-UHFFFAOYSA-N 1 1 286.335 2.976 20 5 CFBDMO COc1c(O)ccc(C[NH2+]Cc2ccoc2C)c1[N+](=O)[O-] ZINC000892657536 618677806 /nfs/dbraw/zinc/67/78/06/618677806.db2.gz AFVDSUBOOSMDAG-UHFFFAOYSA-N 1 1 292.291 2.500 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000311374187 618709391 /nfs/dbraw/zinc/70/93/91/618709391.db2.gz VJVFYBREOKFJTD-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](CC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457918 618777222 /nfs/dbraw/zinc/77/72/22/618777222.db2.gz YPJHSTTVOLOWHC-UHFFFAOYSA-N 1 1 286.335 2.758 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587259 618931966 /nfs/dbraw/zinc/93/19/66/618931966.db2.gz VPEDVQLJDUGYOS-UHIISALHSA-N 1 1 264.325 2.501 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000314123448 619058261 /nfs/dbraw/zinc/05/82/61/619058261.db2.gz PQBIUDQDSPOZCH-UHFFFAOYSA-N 1 1 295.726 2.993 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980382 619209999 /nfs/dbraw/zinc/20/99/99/619209999.db2.gz YKRNPQBOKATABF-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000048391970 619330674 /nfs/dbraw/zinc/33/06/74/619330674.db2.gz WCNYQLJDVVQQRL-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO COc1cc(C[NH+]2CCC(F)CC2)c([N+](=O)[O-])cc1OC ZINC000895551406 619553504 /nfs/dbraw/zinc/55/35/04/619553504.db2.gz WJMGVYZQJAKGIP-UHFFFAOYSA-N 1 1 298.314 2.546 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](CF)C1 ZINC000895575368 619558210 /nfs/dbraw/zinc/55/82/10/619558210.db2.gz SEVTXLFDFGYPTN-KTLBGCOUSA-N 1 1 264.300 2.899 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737642 619597992 /nfs/dbraw/zinc/59/79/92/619597992.db2.gz QKERWWCGTHVIMU-PSASIEDQSA-N 1 1 299.758 2.761 20 5 CFBDMO C[C@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895738087 619598046 /nfs/dbraw/zinc/59/80/46/619598046.db2.gz SWVADRWOLMYHLN-IINYFYTJSA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2C(C)C)n1 ZINC000895989401 619649706 /nfs/dbraw/zinc/64/97/06/619649706.db2.gz ZSUNEDUVBRHFLT-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO COc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000896512409 619747696 /nfs/dbraw/zinc/74/76/96/619747696.db2.gz QNXUYWFRBFTQAF-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO Cc1[nH]ncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469585 620178333 /nfs/dbraw/zinc/17/83/33/620178333.db2.gz MYCBXQQOSIVZAB-SNVBAGLBSA-N 1 1 274.324 2.520 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000899911444 620612327 /nfs/dbraw/zinc/61/23/27/620612327.db2.gz REWAHKBGHNABKZ-CYBMUJFWSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000899911444 620612329 /nfs/dbraw/zinc/61/23/29/620612329.db2.gz REWAHKBGHNABKZ-CYBMUJFWSA-N 1 1 291.351 2.715 20 5 CFBDMO CC[C@@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902487715 621112765 /nfs/dbraw/zinc/11/27/65/621112765.db2.gz CZBQJKCTSTULNZ-GFCCVEGCSA-N 1 1 292.364 2.874 20 5 CFBDMO CCCC[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351025 623266073 /nfs/dbraw/zinc/26/60/73/623266073.db2.gz MINPHNNXSUWXNP-AWEZNQCLSA-N 1 1 266.341 2.750 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000823509915 623337963 /nfs/dbraw/zinc/33/79/63/623337963.db2.gz UDRHIKJBLYCXFM-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC[C@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173537662 623354252 /nfs/dbraw/zinc/35/42/52/623354252.db2.gz WHMYOWADVQDXEA-CYBMUJFWSA-N 1 1 266.345 2.651 20 5 CFBDMO CCC[C@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173537662 623354259 /nfs/dbraw/zinc/35/42/59/623354259.db2.gz WHMYOWADVQDXEA-CYBMUJFWSA-N 1 1 266.345 2.651 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825339000 623677017 /nfs/dbraw/zinc/67/70/17/623677017.db2.gz XXZYSCYDQOGMAE-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000929820308 623822179 /nfs/dbraw/zinc/82/21/79/623822179.db2.gz HNPTUXXVLWARMI-JKSUJKDBSA-N 1 1 292.379 2.631 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153275001 623912687 /nfs/dbraw/zinc/91/26/87/623912687.db2.gz ZZAGAEOOZXQGBD-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915208017 623998354 /nfs/dbraw/zinc/99/83/54/623998354.db2.gz BKKYWBVHVMKFEI-LLVKDONJSA-N 1 1 276.340 2.878 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC[C@@H]1CCOC1)C2 ZINC000828100058 624173245 /nfs/dbraw/zinc/17/32/45/624173245.db2.gz XKVKWMIJPPZGBV-CYBMUJFWSA-N 1 1 290.363 2.770 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000831964938 625195717 /nfs/dbraw/zinc/19/57/17/625195717.db2.gz KJELSAZWIOGISR-AWEZNQCLSA-N 1 1 295.358 2.650 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)O1 ZINC000851735929 634501327 /nfs/dbraw/zinc/50/13/27/634501327.db2.gz LAWOLAXDJRPYPR-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923499739 626477492 /nfs/dbraw/zinc/47/74/92/626477492.db2.gz SXNIDBYBPLCHAZ-GHMZBOCLSA-N 1 1 297.786 2.665 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000839681123 626552201 /nfs/dbraw/zinc/55/22/01/626552201.db2.gz PRAPFYAEZMXEQL-GDBMZVCRSA-N 1 1 290.363 2.750 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC(F)F)C2CC2)c1 ZINC000851816292 634546061 /nfs/dbraw/zinc/54/60/61/634546061.db2.gz GDWQCLKCYIBVOO-UHFFFAOYSA-N 1 1 286.278 2.798 20 5 CFBDMO Cc1nn(C[N@H+](C)CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764929821 627107119 /nfs/dbraw/zinc/10/71/19/627107119.db2.gz LLKKFNZHLWLVSS-UHFFFAOYSA-N 1 1 276.340 2.798 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026011 627114175 /nfs/dbraw/zinc/11/41/75/627114175.db2.gz BXDCIBWTTWGBPE-QWRGUYRKSA-N 1 1 288.351 2.941 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766252499 627187942 /nfs/dbraw/zinc/18/79/42/627187942.db2.gz GEXXDDUWDHTNFV-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000771916786 627647023 /nfs/dbraw/zinc/64/70/23/627647023.db2.gz GRBXQJBPSQZKMW-VIFPVBQESA-N 1 1 284.747 2.539 20 5 CFBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCCC3)c2c(Cl)c1 ZINC000774635878 627944270 /nfs/dbraw/zinc/94/42/70/627944270.db2.gz SHOVGJSQUSEAFY-UHFFFAOYSA-N 1 1 280.715 2.651 20 5 CFBDMO C[N@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272801 628125004 /nfs/dbraw/zinc/12/50/04/628125004.db2.gz WSUZFHORVRAXDN-CQSZACIVSA-N 1 1 292.360 2.822 20 5 CFBDMO C[N@H+](Cc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272800 628125159 /nfs/dbraw/zinc/12/51/59/628125159.db2.gz WSUZFHORVRAXDN-AWEZNQCLSA-N 1 1 292.360 2.822 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)n1 ZINC000852037880 634633441 /nfs/dbraw/zinc/63/34/41/634633441.db2.gz COWZVDDJJZLJBA-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CC[N@H+](Cc1ccoc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581315 628160237 /nfs/dbraw/zinc/16/02/37/628160237.db2.gz GUXDWUSQJOIAJK-HNNXBMFYSA-N 1 1 290.319 2.743 20 5 CFBDMO C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580602 628160617 /nfs/dbraw/zinc/16/06/17/628160617.db2.gz WVXBYBAHNOWVII-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776581547 628160855 /nfs/dbraw/zinc/16/08/55/628160855.db2.gz JTDAZXNHLXBJCA-ZDUSSCGKSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584349 628161364 /nfs/dbraw/zinc/16/13/64/628161364.db2.gz MTBZRZAWYPHFMB-DOMZBBRYSA-N 1 1 278.352 2.893 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980250 628594494 /nfs/dbraw/zinc/59/44/94/628594494.db2.gz FFQHFJLIVAFYIU-GDBMZVCRSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000783639074 628729594 /nfs/dbraw/zinc/72/95/94/628729594.db2.gz YBKPUXZSFIOHQA-ZYHUDNBSSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000783639074 628729597 /nfs/dbraw/zinc/72/95/97/628729597.db2.gz YBKPUXZSFIOHQA-ZYHUDNBSSA-N 1 1 297.786 2.821 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678934 628733879 /nfs/dbraw/zinc/73/38/79/628733879.db2.gz BLHJWSOBUJBUNC-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732748 628738707 /nfs/dbraw/zinc/73/87/07/628738707.db2.gz FEJZSVWNXSRPEP-CJNGLKHVSA-N 1 1 290.363 2.532 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732751 628738784 /nfs/dbraw/zinc/73/87/84/628738784.db2.gz FEJZSVWNXSRPEP-XJKSGUPXSA-N 1 1 290.363 2.532 20 5 CFBDMO Cc1ccc([C@@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000784025846 628765676 /nfs/dbraw/zinc/76/56/76/628765676.db2.gz PWXUYIGWFRLOIO-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000784384748 628812846 /nfs/dbraw/zinc/81/28/46/628812846.db2.gz DTISXGDEUGOJEM-BBRMVZONSA-N 1 1 290.363 2.916 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CCO ZINC000852461035 634750233 /nfs/dbraw/zinc/75/02/33/634750233.db2.gz FMZRVAJPEMXSTR-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(F)(F)CC1 ZINC000796542482 629933373 /nfs/dbraw/zinc/93/33/73/629933373.db2.gz HAFIVIWEZCQUEJ-UHFFFAOYSA-N 1 1 286.278 2.705 20 5 CFBDMO CCCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1OC ZINC000797421932 630064689 /nfs/dbraw/zinc/06/46/89/630064689.db2.gz PAGGFHIUEYFLAQ-UHFFFAOYSA-N 1 1 281.312 2.792 20 5 CFBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801520636 630452420 /nfs/dbraw/zinc/45/24/20/630452420.db2.gz IMEKZGLISIIGAX-ZDUSSCGKSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801520636 630452422 /nfs/dbraw/zinc/45/24/22/630452422.db2.gz IMEKZGLISIIGAX-ZDUSSCGKSA-N 1 1 296.342 2.981 20 5 CFBDMO O=[N+]([O-])c1cnn(C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000102393466 630780662 /nfs/dbraw/zinc/78/06/62/630780662.db2.gz YGYILZAQBIWDLE-UHFFFAOYSA-N 1 1 278.356 2.795 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000841890239 631488765 /nfs/dbraw/zinc/48/87/65/631488765.db2.gz LSZDSRHZRJDASK-GMTAPVOTSA-N 1 1 293.323 2.979 20 5 CFBDMO CC[N@@H+](CCSC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842643501 631666352 /nfs/dbraw/zinc/66/63/52/631666352.db2.gz DAOMWFSIVYDMJA-UHFFFAOYSA-N 1 1 294.380 2.587 20 5 CFBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635232 631688395 /nfs/dbraw/zinc/68/83/95/631688395.db2.gz LAQSRGGXLBWQQO-OCCSQVGLSA-N 1 1 292.383 2.897 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226580 632040451 /nfs/dbraw/zinc/04/04/51/632040451.db2.gz YISLXMVLIDJNJM-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814226580 632040454 /nfs/dbraw/zinc/04/04/54/632040454.db2.gz YISLXMVLIDJNJM-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000815162057 632221096 /nfs/dbraw/zinc/22/10/96/632221096.db2.gz CBTMVOSHVNJDKR-BDAKNGLRSA-N 1 1 261.281 2.576 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000815162057 632221102 /nfs/dbraw/zinc/22/11/02/632221102.db2.gz CBTMVOSHVNJDKR-BDAKNGLRSA-N 1 1 261.281 2.576 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845739788 632546337 /nfs/dbraw/zinc/54/63/37/632546337.db2.gz KDHDTYJARJHHRC-ZDUSSCGKSA-N 1 1 292.335 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1F ZINC000817296380 632597894 /nfs/dbraw/zinc/59/78/94/632597894.db2.gz HKBRHLYSKSWBBV-LBPRGKRZSA-N 1 1 296.342 2.718 20 5 CFBDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000846892954 632836018 /nfs/dbraw/zinc/83/60/18/632836018.db2.gz SXGNHUKOFBKWBC-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000848520903 633274816 /nfs/dbraw/zinc/27/48/16/633274816.db2.gz RXWADYXIMJTXQS-OIBJUYFYSA-N 1 1 283.715 2.903 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111165622 634936574 /nfs/dbraw/zinc/93/65/74/634936574.db2.gz KSGIZDRJHBFMBQ-NSHDSACASA-N 1 1 276.340 2.880 20 5 CFBDMO CC(C)[C@H]([NH3+])CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000853247539 634950245 /nfs/dbraw/zinc/95/02/45/634950245.db2.gz SWPGWVVDGQWMMK-GFCCVEGCSA-N 1 1 285.775 2.711 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000853590382 635043112 /nfs/dbraw/zinc/04/31/12/635043112.db2.gz UUSIYXTXZFSLBE-ZDUSSCGKSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000853590382 635043117 /nfs/dbraw/zinc/04/31/17/635043117.db2.gz UUSIYXTXZFSLBE-ZDUSSCGKSA-N 1 1 278.356 2.569 20 5 CFBDMO CCCC(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853665909 635067360 /nfs/dbraw/zinc/06/73/60/635067360.db2.gz FWSSMDJMCVIQSF-UHFFFAOYSA-N 1 1 255.249 2.532 20 5 CFBDMO CC[C@@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000854142766 635229764 /nfs/dbraw/zinc/22/97/64/635229764.db2.gz YZPBAAGIVSPABV-LLVKDONJSA-N 1 1 290.323 2.548 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540441 650237003 /nfs/dbraw/zinc/23/70/03/650237003.db2.gz TYJSLLGOIYPIOQ-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000860072035 636778270 /nfs/dbraw/zinc/77/82/70/636778270.db2.gz CHEAJHNYUZFHEZ-HNNXBMFYSA-N 1 1 290.363 2.894 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860083649 636782152 /nfs/dbraw/zinc/78/21/52/636782152.db2.gz FLTCOLNJUZNOHK-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860083649 636782167 /nfs/dbraw/zinc/78/21/67/636782167.db2.gz FLTCOLNJUZNOHK-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C/C=C\C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341208 637631195 /nfs/dbraw/zinc/63/11/95/637631195.db2.gz PRPLIPNUKIPBTL-SCOBNMCVSA-N 1 1 278.356 2.735 20 5 CFBDMO C/C=C\C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341208 637631197 /nfs/dbraw/zinc/63/11/97/637631197.db2.gz PRPLIPNUKIPBTL-SCOBNMCVSA-N 1 1 278.356 2.735 20 5 CFBDMO NC(CCC(F)(F)F)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000863489126 637676355 /nfs/dbraw/zinc/67/63/55/637676355.db2.gz SDRJJUKYQXNVLH-UHFFFAOYSA-N 1 1 291.229 2.936 20 5 CFBDMO C[C@H]1COCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865640110 638481863 /nfs/dbraw/zinc/48/18/63/638481863.db2.gz WSIKUUWBXFEMSL-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO Cc1cnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])c1 ZINC000866194369 638767404 /nfs/dbraw/zinc/76/74/04/638767404.db2.gz IKLVFAQUADVOAJ-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000866194369 638767407 /nfs/dbraw/zinc/76/74/07/638767407.db2.gz IKLVFAQUADVOAJ-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1nc(NC[C@@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866195460 638767653 /nfs/dbraw/zinc/76/76/53/638767653.db2.gz VMVKFSJZZLVRGX-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1nc(NC[C@@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866195460 638767656 /nfs/dbraw/zinc/76/76/56/638767656.db2.gz VMVKFSJZZLVRGX-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052389 638819179 /nfs/dbraw/zinc/81/91/79/638819179.db2.gz QJVKRFVPRLTLQU-NSHDSACASA-N 1 1 288.351 2.942 20 5 CFBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866704271 638868387 /nfs/dbraw/zinc/86/83/87/638868387.db2.gz SGXODXDUYJFRFU-MRXNPFEDSA-N 1 1 291.395 2.792 20 5 CFBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000866705175 638868409 /nfs/dbraw/zinc/86/84/09/638868409.db2.gz VCMJSQOOQCKAEC-MRXNPFEDSA-N 1 1 291.395 2.792 20 5 CFBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000871934916 641517049 /nfs/dbraw/zinc/51/70/49/641517049.db2.gz ZGWADJDDIJHIPS-WOPDTQHZSA-N 1 1 293.367 2.549 20 5 CFBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000871935587 641517122 /nfs/dbraw/zinc/51/71/22/641517122.db2.gz ZGWADJDDIJHIPS-IJLUTSLNSA-N 1 1 293.367 2.549 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)[NH+](C)C ZINC000872033941 641565020 /nfs/dbraw/zinc/56/50/20/641565020.db2.gz KLPSPVTVKFZZNM-MNOVXSKESA-N 1 1 297.424 2.917 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CC[C@H](C)C1 ZINC000873066864 642002013 /nfs/dbraw/zinc/00/20/13/642002013.db2.gz JDTJIRQGPWOHBM-LBPRGKRZSA-N 1 1 291.395 2.643 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CC[C@H](C)C1 ZINC000873066864 642002017 /nfs/dbraw/zinc/00/20/17/642002017.db2.gz JDTJIRQGPWOHBM-LBPRGKRZSA-N 1 1 291.395 2.643 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000876789117 643008486 /nfs/dbraw/zinc/00/84/86/643008486.db2.gz RHUQQHNMXYWEEC-ZDUSSCGKSA-N 1 1 278.352 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000877169902 643186237 /nfs/dbraw/zinc/18/62/37/643186237.db2.gz HGTHNWIZGCSHQK-KBPBESRZSA-N 1 1 292.379 2.804 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877524339 643328316 /nfs/dbraw/zinc/32/83/16/643328316.db2.gz VNELLILWUCENTJ-NSHDSACASA-N 1 1 266.341 2.678 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766745 650833769 /nfs/dbraw/zinc/83/37/69/650833769.db2.gz RJQRLHDIPGELKZ-NWDGAFQWSA-N 1 1 288.351 2.880 20 5 CFBDMO Cc1c(C[NH+]2CC(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000877598296 643389045 /nfs/dbraw/zinc/38/90/45/643389045.db2.gz CWZKRYNFYVVHJS-UHFFFAOYSA-N 1 1 270.279 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000877640553 643425725 /nfs/dbraw/zinc/42/57/25/643425725.db2.gz OVQDSRQWFPGYHJ-LRDDRELGSA-N 1 1 292.379 2.662 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000877719020 643482138 /nfs/dbraw/zinc/48/21/38/643482138.db2.gz CUMBIMIAALNSKC-OKILXGFUSA-N 1 1 258.321 2.993 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cs1 ZINC000877736898 643496644 /nfs/dbraw/zinc/49/66/44/643496644.db2.gz BSOGBOLQDLJEAM-MNOVXSKESA-N 1 1 284.406 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877751978 643528895 /nfs/dbraw/zinc/52/88/95/643528895.db2.gz ASHAKOMKQSHHNU-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877751978 643528899 /nfs/dbraw/zinc/52/88/99/643528899.db2.gz ASHAKOMKQSHHNU-GFCCVEGCSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000878920788 644076047 /nfs/dbraw/zinc/07/60/47/644076047.db2.gz VZLIXSQIRSDBMR-IUODEOHRSA-N 1 1 292.379 2.886 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879328180 644234587 /nfs/dbraw/zinc/23/45/87/644234587.db2.gz YJAOIGCJRPZFHN-FZMZJTMJSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880139590 644549654 /nfs/dbraw/zinc/54/96/54/644549654.db2.gz ALMMKRWXJBNEGV-WCQYABFASA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880144917 644552832 /nfs/dbraw/zinc/55/28/32/644552832.db2.gz FZSWFVXFBZTLOO-NWDGAFQWSA-N 1 1 278.352 2.749 20 5 CFBDMO COCC1([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186895 644569091 /nfs/dbraw/zinc/56/90/91/644569091.db2.gz UOFQDWCHPNWJNV-UHFFFAOYSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880231188 644592661 /nfs/dbraw/zinc/59/26/61/644592661.db2.gz VAPBIOBUZLWBOB-LLVKDONJSA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238565 644601493 /nfs/dbraw/zinc/60/14/93/644601493.db2.gz UUPVBWXBMDHKGG-JTQLQIEISA-N 1 1 297.286 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238565 644601499 /nfs/dbraw/zinc/60/14/99/644601499.db2.gz UUPVBWXBMDHKGG-JTQLQIEISA-N 1 1 297.286 2.685 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880439301 644707849 /nfs/dbraw/zinc/70/78/49/644707849.db2.gz TYBRDKIAOCGQMO-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880439301 644707855 /nfs/dbraw/zinc/70/78/55/644707855.db2.gz TYBRDKIAOCGQMO-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880439139 644708207 /nfs/dbraw/zinc/70/82/07/644708207.db2.gz NERFXDJKEIAIGK-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880439139 644708211 /nfs/dbraw/zinc/70/82/11/644708211.db2.gz NERFXDJKEIAIGK-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775182 650963939 /nfs/dbraw/zinc/96/39/39/650963939.db2.gz XOOQTEHRIGWNKU-UHFFFAOYSA-N 1 1 263.272 2.931 20 5 CFBDMO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000882547361 645365594 /nfs/dbraw/zinc/36/55/94/645365594.db2.gz LLZJHEPMDQMFPH-JQWIXIFHSA-N 1 1 294.330 2.558 20 5 CFBDMO CC[N@@H+]1CC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958633 645528729 /nfs/dbraw/zinc/52/87/29/645528729.db2.gz GHQNKMIHVBMBLT-VIFPVBQESA-N 1 1 299.758 2.763 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958633 645528730 /nfs/dbraw/zinc/52/87/30/645528730.db2.gz GHQNKMIHVBMBLT-VIFPVBQESA-N 1 1 299.758 2.763 20 5 CFBDMO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000883399110 645795622 /nfs/dbraw/zinc/79/56/22/645795622.db2.gz DTWPBLOEBGJUQS-SNVBAGLBSA-N 1 1 299.321 2.807 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000886206286 646921459 /nfs/dbraw/zinc/92/14/59/646921459.db2.gz PBBDRADZODTNKY-UHFFFAOYSA-N 1 1 296.330 2.674 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000886206286 646921462 /nfs/dbraw/zinc/92/14/62/646921462.db2.gz PBBDRADZODTNKY-UHFFFAOYSA-N 1 1 296.330 2.674 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000886280420 646949490 /nfs/dbraw/zinc/94/94/90/646949490.db2.gz DQZOBVBNSVVYIF-NSHDSACASA-N 1 1 267.304 2.561 20 5 CFBDMO Cc1ncc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])s1 ZINC000886305393 646960727 /nfs/dbraw/zinc/96/07/27/646960727.db2.gz FQCDPSWLROHUDV-QMMMGPOBSA-N 1 1 278.337 2.606 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886572004 647050716 /nfs/dbraw/zinc/05/07/16/647050716.db2.gz RUASIEFLCYEBEM-PHIMTYICSA-N 1 1 282.340 2.529 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886575241 647051623 /nfs/dbraw/zinc/05/16/23/647051623.db2.gz KZJPOAUJUNTUCE-KOZAUXTDSA-N 1 1 290.363 2.667 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815671 647149454 /nfs/dbraw/zinc/14/94/54/647149454.db2.gz HXYBGIMZOHXOSN-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834731 647156423 /nfs/dbraw/zinc/15/64/23/647156423.db2.gz CCKKFKHYUUGWIM-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832548 647156591 /nfs/dbraw/zinc/15/65/91/647156591.db2.gz JQLKHUXVQLHMMB-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000925597336 648232661 /nfs/dbraw/zinc/23/26/61/648232661.db2.gz YIIUOWMSXSLRNZ-STQMWFEESA-N 1 1 277.368 2.590 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000929175196 648994661 /nfs/dbraw/zinc/99/46/61/648994661.db2.gz PYQRPLCPCDRXPB-GFCCVEGCSA-N 1 1 254.717 2.754 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000929175196 648994663 /nfs/dbraw/zinc/99/46/63/648994663.db2.gz PYQRPLCPCDRXPB-GFCCVEGCSA-N 1 1 254.717 2.754 20 5 CFBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929425415 649047708 /nfs/dbraw/zinc/04/77/08/649047708.db2.gz SXZHVWGYUIZVKW-HNNXBMFYSA-N 1 1 262.353 2.526 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000929788278 649123443 /nfs/dbraw/zinc/12/34/43/649123443.db2.gz KPZFHCQMAHDFKZ-ZDUSSCGKSA-N 1 1 252.289 2.629 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000929788278 649123445 /nfs/dbraw/zinc/12/34/45/649123445.db2.gz KPZFHCQMAHDFKZ-ZDUSSCGKSA-N 1 1 252.289 2.629 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000929860727 649141078 /nfs/dbraw/zinc/14/10/78/649141078.db2.gz FFSJWVLUPGMWJT-NSHDSACASA-N 1 1 291.376 2.752 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000929860727 649141085 /nfs/dbraw/zinc/14/10/85/649141085.db2.gz FFSJWVLUPGMWJT-NSHDSACASA-N 1 1 291.376 2.752 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932627873 649630927 /nfs/dbraw/zinc/63/09/27/649630927.db2.gz AWILANHNMCVLGF-UHFFFAOYSA-N 1 1 279.315 2.704 20 5 CFBDMO COc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001225440877 775458996 /nfs/dbraw/zinc/45/89/96/775458996.db2.gz JCGKGCQEHGYWEM-ZDUSSCGKSA-N 1 1 294.351 2.855 20 5 CFBDMO C[NH+](C)[C@H]1CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225492663 775480203 /nfs/dbraw/zinc/48/02/03/775480203.db2.gz ZMIKDBGCUDXOOH-UMSPYCQHSA-N 1 1 280.324 2.552 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225575377 775508284 /nfs/dbraw/zinc/50/82/84/775508284.db2.gz PECQXBNMDFXVHX-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO Cc1cccc(O[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225631048 775533492 /nfs/dbraw/zinc/53/34/92/775533492.db2.gz CKPMAGUCSJRNGV-LBPRGKRZSA-N 1 1 264.325 2.765 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cccc(C)c2[N+](=O)[O-])C1 ZINC001225636308 775534464 /nfs/dbraw/zinc/53/44/64/775534464.db2.gz WBNNSWIYFMZCLU-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667847 775549531 /nfs/dbraw/zinc/54/95/31/775549531.db2.gz VFAMSRBVKKVDRD-LLVKDONJSA-N 1 1 282.315 2.986 20 5 CFBDMO Cc1c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC001225689596 775559588 /nfs/dbraw/zinc/55/95/88/775559588.db2.gz LDOAXMPXZUZAKP-CLLJXQQHSA-N 1 1 276.336 2.907 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225709917 775569904 /nfs/dbraw/zinc/56/99/04/775569904.db2.gz FFIJGXULBSNXKW-JTQLQIEISA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1F)C2 ZINC001225793987 775596349 /nfs/dbraw/zinc/59/63/49/775596349.db2.gz GJFDRJGHQHVYQW-URLYPYJESA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225943329 775643970 /nfs/dbraw/zinc/64/39/70/775643970.db2.gz YSGJISMJYYKSEA-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001226120509 775707736 /nfs/dbraw/zinc/70/77/36/775707736.db2.gz USRBSHGAKYHKRD-GFCCVEGCSA-N 1 1 279.340 2.550 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001226255934 775757460 /nfs/dbraw/zinc/75/74/60/775757460.db2.gz QGJYRDIZROIGQM-JZYVYDRUSA-N 1 1 297.742 2.647 20 5 CFBDMO O=[N+]([O-])c1ccc(F)c(OC2CC[NH+](CCF)CC2)c1 ZINC001226266314 775761843 /nfs/dbraw/zinc/76/18/43/775761843.db2.gz RZAZIJBCBZTIAS-UHFFFAOYSA-N 1 1 286.278 2.547 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744864 775945894 /nfs/dbraw/zinc/94/58/94/775945894.db2.gz VGYOLQNIEHLPLO-JTQLQIEISA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001226995053 776054203 /nfs/dbraw/zinc/05/42/03/776054203.db2.gz KDJNRGODYSGWRK-DABQJJPHSA-N 1 1 276.336 2.907 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226997693 776054391 /nfs/dbraw/zinc/05/43/91/776054391.db2.gz ZHAHZKDCPQANLX-CYBMUJFWSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228002103 776355769 /nfs/dbraw/zinc/35/57/69/776355769.db2.gz IRKIWAZDMRSBBJ-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228002103 776355777 /nfs/dbraw/zinc/35/57/77/776355777.db2.gz IRKIWAZDMRSBBJ-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228058168 776380475 /nfs/dbraw/zinc/38/04/75/776380475.db2.gz RUOHVLGNPVGATE-VIFPVBQESA-N 1 1 285.731 2.505 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229006390 776687581 /nfs/dbraw/zinc/68/75/81/776687581.db2.gz YEUMVCPGYPJKCW-ZDUSSCGKSA-N 1 1 287.319 2.616 20 5 CFBDMO O=[N+]([O-])/C=C/c1ccc(O[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001229114266 776722867 /nfs/dbraw/zinc/72/28/67/776722867.db2.gz IAVFGBISIXRAAN-KGXGESDWSA-N 1 1 285.303 2.524 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229379458 776795647 /nfs/dbraw/zinc/79/56/47/776795647.db2.gz FNYRVKPPOINMPB-SNVBAGLBSA-N 1 1 293.710 2.839 20 5 CFBDMO CC[NH+](CC)C[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595938 777022030 /nfs/dbraw/zinc/02/20/30/777022030.db2.gz ODGIKDMKDJHTEV-SNVBAGLBSA-N 1 1 292.339 2.580 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230919129 777092858 /nfs/dbraw/zinc/09/28/58/777092858.db2.gz UFXHATGFABOAIC-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000179088377 777933652 /nfs/dbraw/zinc/93/36/52/777933652.db2.gz XWLUWOPVVZBYNB-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698304 778045027 /nfs/dbraw/zinc/04/50/27/778045027.db2.gz ITEWHKBDJHAFKE-SNVBAGLBSA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233751562 778064667 /nfs/dbraw/zinc/06/46/67/778064667.db2.gz URHTYDHNPNCFTF-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1cc(F)c(O[C@@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001234054237 778154036 /nfs/dbraw/zinc/15/40/36/778154036.db2.gz BQBVAEYSQVDVQT-LLVKDONJSA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234060545 778155350 /nfs/dbraw/zinc/15/53/50/778155350.db2.gz QSBSZXLTCLJLNC-NSHDSACASA-N 1 1 282.315 2.905 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612462 778173235 /nfs/dbraw/zinc/17/32/35/778173235.db2.gz IXNAWHQMHOXGGR-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001234899661 778325163 /nfs/dbraw/zinc/32/51/63/778325163.db2.gz DAMOBLZJVADUOU-LBPRGKRZSA-N 1 1 279.340 2.550 20 5 CFBDMO CC[N@H+]1CC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027726 778398254 /nfs/dbraw/zinc/39/82/54/778398254.db2.gz XBBKBOJZZZXOPJ-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000700376490 780683953 /nfs/dbraw/zinc/68/39/53/780683953.db2.gz MESHQVQEMLQWLW-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000700376490 780683956 /nfs/dbraw/zinc/68/39/56/780683956.db2.gz MESHQVQEMLQWLW-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001162331146 780758622 /nfs/dbraw/zinc/75/86/22/780758622.db2.gz LULUMXPLUULUBT-LBPRGKRZSA-N 1 1 284.747 2.539 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000703860563 781070888 /nfs/dbraw/zinc/07/08/88/781070888.db2.gz NKJUGSDGZIZCNW-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)cn1 ZINC000709935545 781323747 /nfs/dbraw/zinc/32/37/47/781323747.db2.gz SZGJLVIBVJLWSW-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001118496616 781650018 /nfs/dbraw/zinc/65/00/18/781650018.db2.gz ZPOQBSXKNLAXNU-UBSAEIQESA-N 1 1 272.348 2.999 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594955863 349528067 /nfs/dbraw/zinc/52/80/67/349528067.db2.gz GCEWUVLGIINDIR-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000594955863 349528071 /nfs/dbraw/zinc/52/80/71/349528071.db2.gz GCEWUVLGIINDIR-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000594961821 349531190 /nfs/dbraw/zinc/53/11/90/349531190.db2.gz IXIUDRSKMAOCON-CQSZACIVSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000594961821 349531194 /nfs/dbraw/zinc/53/11/94/349531194.db2.gz IXIUDRSKMAOCON-CQSZACIVSA-N 1 1 277.368 2.557 20 5 CFBDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000594979280 349537752 /nfs/dbraw/zinc/53/77/52/349537752.db2.gz IBUDGMMPEAOHEU-AWEZNQCLSA-N 1 1 291.395 2.805 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000595033034 349557429 /nfs/dbraw/zinc/55/74/29/349557429.db2.gz ADOWZPDHABYEAT-UWVGGRQHSA-N 1 1 290.323 2.738 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000595033036 349557690 /nfs/dbraw/zinc/55/76/90/349557690.db2.gz ADOWZPDHABYEAT-ZJUUUORDSA-N 1 1 290.323 2.738 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000595001969 349544019 /nfs/dbraw/zinc/54/40/19/349544019.db2.gz YSWCSCHGQFGFRR-UHFFFAOYSA-N 1 1 297.374 2.944 20 5 CFBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326420 349602414 /nfs/dbraw/zinc/60/24/14/349602414.db2.gz CERJDULBPPLUSN-RYUDHWBXSA-N 1 1 297.355 2.527 20 5 CFBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326420 349602416 /nfs/dbraw/zinc/60/24/16/349602416.db2.gz CERJDULBPPLUSN-RYUDHWBXSA-N 1 1 297.355 2.527 20 5 CFBDMO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331937 349603413 /nfs/dbraw/zinc/60/34/13/349603413.db2.gz ZGBYKAFLEXISPC-MNOVXSKESA-N 1 1 299.396 2.997 20 5 CFBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331937 349603414 /nfs/dbraw/zinc/60/34/14/349603414.db2.gz ZGBYKAFLEXISPC-MNOVXSKESA-N 1 1 299.396 2.997 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595343785 349606385 /nfs/dbraw/zinc/60/63/85/349606385.db2.gz DWIPABPWLWFWKI-SECBINFHSA-N 1 1 255.318 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000595413272 349618867 /nfs/dbraw/zinc/61/88/67/349618867.db2.gz YWRYGWRZNLOBTM-LLVKDONJSA-N 1 1 264.300 2.966 20 5 CFBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413360 349619054 /nfs/dbraw/zinc/61/90/54/349619054.db2.gz ZOHIYKZPWYEKTI-WPRPVWTQSA-N 1 1 253.302 2.654 20 5 CFBDMO CSCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096956088 185140904 /nfs/dbraw/zinc/14/09/04/185140904.db2.gz AAIICRVIFGLAIB-SNVBAGLBSA-N 1 1 254.355 2.951 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447345 349628870 /nfs/dbraw/zinc/62/88/70/349628870.db2.gz CINQYVONBZFKPQ-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595463817 349634831 /nfs/dbraw/zinc/63/48/31/349634831.db2.gz AIEJUPGWBGCWLU-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1COC(C)(C)C1 ZINC000595483280 349639436 /nfs/dbraw/zinc/63/94/36/349639436.db2.gz FLZSMBGKNLQKAC-CYBMUJFWSA-N 1 1 278.352 2.637 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521094 349650124 /nfs/dbraw/zinc/65/01/24/349650124.db2.gz QSTUOVSSDSTUMC-AWEZNQCLSA-N 1 1 295.358 2.650 20 5 CFBDMO CC(C)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595505932 349645463 /nfs/dbraw/zinc/64/54/63/349645463.db2.gz XROUOBQMNIPFGZ-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595505932 349645464 /nfs/dbraw/zinc/64/54/64/349645464.db2.gz XROUOBQMNIPFGZ-OAHLLOKOSA-N 1 1 296.342 2.981 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595593752 349668094 /nfs/dbraw/zinc/66/80/94/349668094.db2.gz UMMMGTVDZKHKIW-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601420 349670808 /nfs/dbraw/zinc/67/08/08/349670808.db2.gz RLIHDLCOWFDLEC-JTQLQIEISA-N 1 1 252.314 2.921 20 5 CFBDMO C[C@@]1(C2CC2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616818 349677173 /nfs/dbraw/zinc/67/71/73/349677173.db2.gz DEWGOCDWTKYVIQ-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616818 349677175 /nfs/dbraw/zinc/67/71/75/349677175.db2.gz DEWGOCDWTKYVIQ-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673033 349696149 /nfs/dbraw/zinc/69/61/49/349696149.db2.gz JHYMVQQLLGQXEK-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678658 349697841 /nfs/dbraw/zinc/69/78/41/349697841.db2.gz SIQLMVYWDGHIBV-IUODEOHRSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752098 349723982 /nfs/dbraw/zinc/72/39/82/349723982.db2.gz SDSQWSZASAWDCX-WBMJQRKESA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595703509 349710366 /nfs/dbraw/zinc/71/03/66/349710366.db2.gz SXSHECXXOZKTHR-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829445 349744439 /nfs/dbraw/zinc/74/44/39/349744439.db2.gz HXIKMQXSDSFWEC-XBFCOCLRSA-N 1 1 276.336 2.624 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595779689 349731180 /nfs/dbraw/zinc/73/11/80/349731180.db2.gz FYUKBJYJKFHJMM-NEPJUHHUSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CC1(C)C ZINC000595909482 349766218 /nfs/dbraw/zinc/76/62/18/349766218.db2.gz ORTUPQUQPIVIHH-JTQLQIEISA-N 1 1 288.351 2.949 20 5 CFBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595910223 349766474 /nfs/dbraw/zinc/76/64/74/349766474.db2.gz RTYAHNGTPXCUTI-LLVKDONJSA-N 1 1 291.351 2.511 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595872298 349758779 /nfs/dbraw/zinc/75/87/79/349758779.db2.gz UWCRDWWURAXNBZ-UHFFFAOYSA-N 1 1 297.374 2.944 20 5 CFBDMO C[N@H+](CCNCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071377396 346921775 /nfs/dbraw/zinc/92/17/75/346921775.db2.gz IRWKBCURNMYSGU-UHFFFAOYSA-N 1 1 291.395 2.601 20 5 CFBDMO C[N@@H+](CCNCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071377396 346921778 /nfs/dbraw/zinc/92/17/78/346921778.db2.gz IRWKBCURNMYSGU-UHFFFAOYSA-N 1 1 291.395 2.601 20 5 CFBDMO CC[N@@H+](CCNc1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000596110004 349796658 /nfs/dbraw/zinc/79/66/58/349796658.db2.gz WVGZUAVCONKLCN-UHFFFAOYSA-N 1 1 269.370 2.861 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295014843 199301132 /nfs/dbraw/zinc/30/11/32/199301132.db2.gz MNZDZIGJSYPDFS-CQSZACIVSA-N 1 1 278.352 2.842 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169184 349816107 /nfs/dbraw/zinc/81/61/07/349816107.db2.gz SCVGALNUMNAWFF-NEPJUHHUSA-N 1 1 295.408 2.885 20 5 CFBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])s1 ZINC000596199692 349825787 /nfs/dbraw/zinc/82/57/87/349825787.db2.gz FPHMAIYNNPYOPO-VIFPVBQESA-N 1 1 278.337 2.588 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000596309278 349859177 /nfs/dbraw/zinc/85/91/77/349859177.db2.gz XLZACNJDTHCMLZ-LLVKDONJSA-N 1 1 263.341 2.880 20 5 CFBDMO Cc1cccc(NCCNc2ccc(F)cc2[N+](=O)[O-])[nH+]1 ZINC000074277678 347006551 /nfs/dbraw/zinc/00/65/51/347006551.db2.gz MXXVRPDJJKPCMD-UHFFFAOYSA-N 1 1 290.298 2.961 20 5 CFBDMO COCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000127133710 187284327 /nfs/dbraw/zinc/28/43/27/187284327.db2.gz CIAHPOBKJJJPLH-UHFFFAOYSA-N 1 1 290.319 2.933 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413084368 530064005 /nfs/dbraw/zinc/06/40/05/530064005.db2.gz NDQVKTLKKBPUFJ-ZDUSSCGKSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596540109 349935700 /nfs/dbraw/zinc/93/57/00/349935700.db2.gz DKGSMSIFNFTOGT-UHFFFAOYSA-N 1 1 266.345 2.522 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007787639 346219102 /nfs/dbraw/zinc/21/91/02/346219102.db2.gz RQNOSAYGQTXAQW-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000007787639 346219106 /nfs/dbraw/zinc/21/91/06/346219106.db2.gz RQNOSAYGQTXAQW-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075712941 347093593 /nfs/dbraw/zinc/09/35/93/347093593.db2.gz QOJMBJPWZPJDLM-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048400679 346473447 /nfs/dbraw/zinc/47/34/47/346473447.db2.gz IZNYWBQMXPTKCC-ZDUSSCGKSA-N 1 1 292.335 2.512 20 5 CFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048400657 346473558 /nfs/dbraw/zinc/47/35/58/346473558.db2.gz MGWVNNKQUSXYON-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596652817 349969553 /nfs/dbraw/zinc/96/95/53/349969553.db2.gz IJGQCCWOIZDGJZ-HZPDHXFCSA-N 1 1 291.395 2.935 20 5 CFBDMO Cc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000596655343 349970514 /nfs/dbraw/zinc/97/05/14/349970514.db2.gz VMVNCFQPCHVSOA-GXTWGEPZSA-N 1 1 279.384 2.927 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809142 346780372 /nfs/dbraw/zinc/78/03/72/346780372.db2.gz KURLQGLNZKGSPN-BETUJISGSA-N 1 1 292.383 2.770 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)C ZINC000065962722 346744943 /nfs/dbraw/zinc/74/49/43/346744943.db2.gz ROKSZBCSIOFVHM-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000076776120 347152546 /nfs/dbraw/zinc/15/25/46/347152546.db2.gz KWXMJYASHFMTCB-LBPRGKRZSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1cnc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000078655697 347267255 /nfs/dbraw/zinc/26/72/55/347267255.db2.gz VUXOVHJUCPSUGY-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cnc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078669899 347269041 /nfs/dbraw/zinc/26/90/41/347269041.db2.gz RJFAHBDTLYYZMN-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000091898868 347602763 /nfs/dbraw/zinc/60/27/63/347602763.db2.gz UTZHBQCDDLOCRR-ZTHSPGPESA-N 1 1 290.363 2.701 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000091486189 347590381 /nfs/dbraw/zinc/59/03/81/347590381.db2.gz QWSKMRMIAHIMMZ-IUODEOHRSA-N 1 1 275.352 2.515 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122863720 347817087 /nfs/dbraw/zinc/81/70/87/347817087.db2.gz POBSZOAHIJUSJP-RYUDHWBXSA-N 1 1 275.352 2.940 20 5 CFBDMO COCC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000291043417 348353739 /nfs/dbraw/zinc/35/37/39/348353739.db2.gz BCUICCPQEHYYSN-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO COc1ccc(C[NH2+]Cc2cc(C)ns2)cc1[N+](=O)[O-] ZINC000404273357 348590787 /nfs/dbraw/zinc/59/07/87/348590787.db2.gz KBKQSOUITHJJFS-UHFFFAOYSA-N 1 1 293.348 2.658 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)c1 ZINC000413344395 233056641 /nfs/dbraw/zinc/05/66/41/233056641.db2.gz CMQZLLYWYHCWIY-UHFFFAOYSA-N 1 1 293.367 2.890 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCc2c[nH+]cn2C1 ZINC000588067672 348769903 /nfs/dbraw/zinc/76/99/03/348769903.db2.gz IGGXSWPPOAKZTA-SNVBAGLBSA-N 1 1 292.726 2.872 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000588067695 348769993 /nfs/dbraw/zinc/76/99/93/348769993.db2.gz JURBRAHCFKQAET-GFCCVEGCSA-N 1 1 272.308 2.527 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000587415896 348761931 /nfs/dbraw/zinc/76/19/31/348761931.db2.gz HCUNSYPKXODEOP-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO C[C@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000589584240 348839482 /nfs/dbraw/zinc/83/94/82/348839482.db2.gz LGZDQZFLODXPQV-DTWKUNHWSA-N 1 1 267.354 2.693 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000588924867 348803774 /nfs/dbraw/zinc/80/37/74/348803774.db2.gz MJCPJYBJWQIKDI-CQSZACIVSA-N 1 1 274.324 2.569 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592133960 349088749 /nfs/dbraw/zinc/08/87/49/349088749.db2.gz DPFRFFZQWKMXDP-CQSZACIVSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCSC ZINC000592204238 349101196 /nfs/dbraw/zinc/10/11/96/349101196.db2.gz RXYWLRSCGNKQAB-UHFFFAOYSA-N 1 1 284.381 2.659 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCOC1 ZINC000593071926 349202320 /nfs/dbraw/zinc/20/23/20/349202320.db2.gz WRYBHEIMFUUTKN-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCOC1 ZINC000593674574 349308325 /nfs/dbraw/zinc/30/83/25/349308325.db2.gz YRBGMQUPHZTUAR-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597223821 350062235 /nfs/dbraw/zinc/06/22/35/350062235.db2.gz UIQCRBMGJSNXEC-BDSSXFGHSA-N 1 1 258.321 2.950 20 5 CFBDMO C[C@H]([NH3+])c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414806555 233359595 /nfs/dbraw/zinc/35/95/95/233359595.db2.gz HRBCJDORTVBVOX-LBPRGKRZSA-N 1 1 285.347 2.904 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598645348 350300497 /nfs/dbraw/zinc/30/04/97/350300497.db2.gz HFOWSOLUIUMCQF-MBNYWOFBSA-N 1 1 278.352 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598999486 350357543 /nfs/dbraw/zinc/35/75/43/350357543.db2.gz ODKAMCXMYGSZTE-INIZCTEOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598999486 350357545 /nfs/dbraw/zinc/35/75/45/350357545.db2.gz ODKAMCXMYGSZTE-INIZCTEOSA-N 1 1 289.379 2.701 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000599139844 350383119 /nfs/dbraw/zinc/38/31/19/350383119.db2.gz QYYJENVZDIRIKV-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000599536652 350452084 /nfs/dbraw/zinc/45/20/84/350452084.db2.gz NPXGKGMSMQSSKE-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000599536652 350452085 /nfs/dbraw/zinc/45/20/85/350452085.db2.gz NPXGKGMSMQSSKE-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[NH+]2Cc3ccccc3C2)c1 ZINC000106303741 186106994 /nfs/dbraw/zinc/10/69/94/186106994.db2.gz HFORSCMPQNLBSO-UHFFFAOYSA-N 1 1 284.315 2.989 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+](C2CC2)C2CC2)c2c(c1)COCO2 ZINC000599593399 350462565 /nfs/dbraw/zinc/46/25/65/350462565.db2.gz DNEUONINCSFQOL-UHFFFAOYSA-N 1 1 290.319 2.588 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639621 350470103 /nfs/dbraw/zinc/47/01/03/350470103.db2.gz KFBJUGHVPRWHPX-DVOMOZLQSA-N 1 1 290.363 2.750 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000092427754 180383417 /nfs/dbraw/zinc/38/34/17/180383417.db2.gz XMZKDECOLMYXBB-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000600189680 350535886 /nfs/dbraw/zinc/53/58/86/350535886.db2.gz JANPLWCTNUZKAE-FNORWQNLSA-N 1 1 276.336 2.576 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000600216126 350542094 /nfs/dbraw/zinc/54/20/94/350542094.db2.gz TZXXJYPFTKMFIV-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO CO[C@H]1C[C@@H](N(C)c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601164905 350686151 /nfs/dbraw/zinc/68/61/51/350686151.db2.gz IAXWEEBMAMVNFK-TXEJJXNPSA-N 1 1 287.319 2.757 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCCF)c2c1 ZINC000601166615 350686642 /nfs/dbraw/zinc/68/66/42/350686642.db2.gz PWHXGHLBCFOECB-UHFFFAOYSA-N 1 1 263.272 2.727 20 5 CFBDMO CC[C@@H]1OCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601173837 350688865 /nfs/dbraw/zinc/68/88/65/350688865.db2.gz KBTFKDORTBAOCE-CABCVRRESA-N 1 1 287.319 2.544 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCn3nccc32)c(F)c1 ZINC000601174092 350689033 /nfs/dbraw/zinc/68/90/33/350689033.db2.gz OOEQGMQVIWFAOW-CYBMUJFWSA-N 1 1 290.298 2.555 20 5 CFBDMO C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CS1 ZINC000601175576 350689598 /nfs/dbraw/zinc/68/95/98/350689598.db2.gz JGNLKDLTGGEQCK-ZJUUUORDSA-N 1 1 289.360 2.871 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601187038 350691644 /nfs/dbraw/zinc/69/16/44/350691644.db2.gz LMXATDKSHWHAKV-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000601188615 350692262 /nfs/dbraw/zinc/69/22/62/350692262.db2.gz KSBSDBXSTSHUMQ-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CO[C@H](C4CC4)C3)c2c1 ZINC000601203062 350696034 /nfs/dbraw/zinc/69/60/34/350696034.db2.gz MWCUBVDDJUFBLJ-BZNIZROVSA-N 1 1 299.330 2.544 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1CCC1 ZINC000111298184 186392340 /nfs/dbraw/zinc/39/23/40/186392340.db2.gz WFQXBTSJXKIELG-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CCC[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441173 350883734 /nfs/dbraw/zinc/88/37/34/350883734.db2.gz UYQSSBOSQBWRFR-CYBMUJFWSA-N 1 1 266.341 2.842 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602645973 350960188 /nfs/dbraw/zinc/96/01/88/350960188.db2.gz VWMVWMJQHXSVJM-GFCCVEGCSA-N 1 1 280.372 2.586 20 5 CFBDMO CO[C@@](C)(C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602650492 350961155 /nfs/dbraw/zinc/96/11/55/350961155.db2.gz MIASATURIIZAKO-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO CC[C@@](C)(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000602659181 350964645 /nfs/dbraw/zinc/96/46/45/350964645.db2.gz OOVMQPVFIAABGI-HNNXBMFYSA-N 1 1 280.368 2.884 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000602819245 351036663 /nfs/dbraw/zinc/03/66/63/351036663.db2.gz BTXIUEKCHDDJRD-GFCCVEGCSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1c(C[N@@H+](CCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000609316920 351496235 /nfs/dbraw/zinc/49/62/35/351496235.db2.gz CYGKOHAUZYTEBA-UHFFFAOYSA-N 1 1 280.368 2.744 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384334 351500318 /nfs/dbraw/zinc/50/03/18/351500318.db2.gz KMIYOWGTGNVIGG-GFCCVEGCSA-N 1 1 279.315 2.630 20 5 CFBDMO COc1cc(C[NH2+]Cc2ccoc2C)c([N+](=O)[O-])cc1O ZINC000608782132 351470501 /nfs/dbraw/zinc/47/05/01/351470501.db2.gz ZXBFGHJNBVQDMB-UHFFFAOYSA-N 1 1 292.291 2.500 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610133408 351535368 /nfs/dbraw/zinc/53/53/68/351535368.db2.gz MVEPLCGEVPQKPF-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671701 351515460 /nfs/dbraw/zinc/51/54/60/351515460.db2.gz IXCLWINZSSMROB-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671701 351515467 /nfs/dbraw/zinc/51/54/67/351515467.db2.gz IXCLWINZSSMROB-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC1CCC([N@@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)CC1 ZINC000610476269 351568796 /nfs/dbraw/zinc/56/87/96/351568796.db2.gz YGJBOQXMNJAPCZ-UHFFFAOYSA-N 1 1 292.383 2.871 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580926 351583911 /nfs/dbraw/zinc/58/39/11/351583911.db2.gz CGKCHEPAOAKZTJ-SECBINFHSA-N 1 1 275.308 2.966 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)[NH+](C)C ZINC000610810975 351610779 /nfs/dbraw/zinc/61/07/79/351610779.db2.gz HEYIBERWKQUYFA-NEPJUHHUSA-N 1 1 265.357 2.504 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000611179470 351648716 /nfs/dbraw/zinc/64/87/16/351648716.db2.gz CRSLYBHSVCMZJE-SNVBAGLBSA-N 1 1 286.278 2.690 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCCOC1 ZINC000611252951 351657981 /nfs/dbraw/zinc/65/79/81/351657981.db2.gz PVPDBYPDYBHRIJ-LBPRGKRZSA-N 1 1 276.336 2.934 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000611262779 351660237 /nfs/dbraw/zinc/66/02/37/351660237.db2.gz JJQQAJIBJSZXMM-HVLYNSROSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000611262779 351660239 /nfs/dbraw/zinc/66/02/39/351660239.db2.gz JJQQAJIBJSZXMM-HVLYNSROSA-N 1 1 288.347 2.861 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@@H]21 ZINC000611413825 351686955 /nfs/dbraw/zinc/68/69/55/351686955.db2.gz YUAMOWHCUTVART-QWRGUYRKSA-N 1 1 281.381 2.577 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000611471125 351693763 /nfs/dbraw/zinc/69/37/63/351693763.db2.gz NMXWVPCPBFNDLV-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO O=[N+]([O-])c1ccsc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000611289985 351664452 /nfs/dbraw/zinc/66/44/52/351664452.db2.gz NQGPAUNQKRHLLV-UHFFFAOYSA-N 1 1 278.337 2.763 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576773 351711311 /nfs/dbraw/zinc/71/13/11/351711311.db2.gz DNLYYNBPIMODLX-LLVKDONJSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576773 351711314 /nfs/dbraw/zinc/71/13/14/351711314.db2.gz DNLYYNBPIMODLX-LLVKDONJSA-N 1 1 286.278 2.798 20 5 CFBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000122990224 187064204 /nfs/dbraw/zinc/06/42/04/187064204.db2.gz 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ZINC000619179651 352973217 /nfs/dbraw/zinc/97/32/17/352973217.db2.gz ZAGQMCZYZYBLKN-VXGBXAGGSA-N 1 1 296.342 2.859 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152970743 188057187 /nfs/dbraw/zinc/05/71/87/188057187.db2.gz UJDBHIRAWHHNAD-BETUJISGSA-N 1 1 276.336 2.835 20 5 CFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153089134 188064036 /nfs/dbraw/zinc/06/40/36/188064036.db2.gz VMLHCUVHAGMSPS-ZYHUDNBSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153088919 188064132 /nfs/dbraw/zinc/06/41/32/188064132.db2.gz VMLHCUVHAGMSPS-PWSUYJOCSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000153723037 188099480 /nfs/dbraw/zinc/09/94/80/188099480.db2.gz WCIPVMYFBSZKBI-LBPRGKRZSA-N 1 1 293.367 2.900 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000157595638 188327178 /nfs/dbraw/zinc/32/71/78/188327178.db2.gz CNPHGKZYXBGNKP-UHFFFAOYSA-N 1 1 292.364 2.517 20 5 CFBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000173732326 188866094 /nfs/dbraw/zinc/86/60/94/188866094.db2.gz QUZXSKUDQUELOB-UHFFFAOYSA-N 1 1 294.351 2.714 20 5 CFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176191726 283269183 /nfs/dbraw/zinc/26/91/83/283269183.db2.gz WPDGPYVJLNQPRT-UHFFFAOYSA-N 1 1 288.351 2.704 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294302009 198990634 /nfs/dbraw/zinc/99/06/34/198990634.db2.gz ZWOWPYRIBNUMET-ZWNOBZJWSA-N 1 1 272.308 2.587 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422920539 237350172 /nfs/dbraw/zinc/35/01/72/237350172.db2.gz MXXZNEKBAHRLOV-YDHLFZDLSA-N 1 1 291.395 2.942 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422920538 237351441 /nfs/dbraw/zinc/35/14/41/237351441.db2.gz MXXZNEKBAHRLOV-KCQAQPDRSA-N 1 1 291.395 2.942 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177063644 189025888 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CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301567197 201070372 /nfs/dbraw/zinc/07/03/72/201070372.db2.gz WPZUSQWHROSIIO-ZDUSSCGKSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000183279575 189353118 /nfs/dbraw/zinc/35/31/18/189353118.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 1 1 291.395 2.677 20 5 CFBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301686755 201137910 /nfs/dbraw/zinc/13/79/10/201137910.db2.gz XFDPMWBBNLEIBJ-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000183355239 189356293 /nfs/dbraw/zinc/35/62/93/189356293.db2.gz ZLBCVSQUYAHCIR-TZMCWYRMSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000183654252 189364957 /nfs/dbraw/zinc/36/49/57/189364957.db2.gz HYMLSLJLTWELST-ZBFHGGJFSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000302006791 201295620 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Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000443775002 241086455 /nfs/dbraw/zinc/08/64/55/241086455.db2.gz AYEGSESZYVYFNS-GHJWDPDVSA-N 1 1 292.379 2.885 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000446086328 241277119 /nfs/dbraw/zinc/27/71/19/241277119.db2.gz YWFGCVUKEQLHSP-UPJWGTAASA-N 1 1 278.352 2.635 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000447053681 241346825 /nfs/dbraw/zinc/34/68/25/241346825.db2.gz FUEWDWKHBKJNED-CYBMUJFWSA-N 1 1 275.352 2.576 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449566691 242036567 /nfs/dbraw/zinc/03/65/67/242036567.db2.gz QNIFJGMXRFAMLC-AWEZNQCLSA-N 1 1 277.368 2.511 20 5 CFBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589572 203008029 /nfs/dbraw/zinc/00/80/29/203008029.db2.gz PJKUILQYGIWTRF-JQWIXIFHSA-N 1 1 277.324 2.731 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccnc1 ZINC000035125514 372543991 /nfs/dbraw/zinc/54/39/91/372543991.db2.gz VIEFLBLUKGAMRH-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037140809 372653904 /nfs/dbraw/zinc/65/39/04/372653904.db2.gz JZIINRVFIVYLOC-LBPRGKRZSA-N 1 1 289.379 2.872 20 5 CFBDMO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644168 372680607 /nfs/dbraw/zinc/68/06/07/372680607.db2.gz BXRCZWCDZJGMDY-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644168 372680611 /nfs/dbraw/zinc/68/06/11/372680611.db2.gz BXRCZWCDZJGMDY-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649075 372685386 /nfs/dbraw/zinc/68/53/86/372685386.db2.gz RLMAZQJYXUPRKH-QWHCGFSZSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649075 372685389 /nfs/dbraw/zinc/68/53/89/372685389.db2.gz RLMAZQJYXUPRKH-QWHCGFSZSA-N 1 1 289.379 2.730 20 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CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131769 378299351 /nfs/dbraw/zinc/29/93/51/378299351.db2.gz UAJUJUSFPDRRTM-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079945 378628137 /nfs/dbraw/zinc/62/81/37/378628137.db2.gz WZRYVXSUYVJHNX-NEPJUHHUSA-N 1 1 280.372 2.729 20 5 CFBDMO CC[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089226 378630867 /nfs/dbraw/zinc/63/08/67/378630867.db2.gz UNRTZRYDVKGHOW-IUODEOHRSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089226 378630877 /nfs/dbraw/zinc/63/08/77/378630877.db2.gz UNRTZRYDVKGHOW-IUODEOHRSA-N 1 1 291.395 2.723 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330954356 378603097 /nfs/dbraw/zinc/60/30/97/378603097.db2.gz MFTIXUYZSCJQNN-LBPRGKRZSA-N 1 1 280.372 2.586 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269940 378660645 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C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000571861372 383733604 /nfs/dbraw/zinc/73/36/04/383733604.db2.gz TYSAIISPUMUPAC-QWRGUYRKSA-N 1 1 296.346 2.661 20 5 CFBDMO CC(C)C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289459992 197357622 /nfs/dbraw/zinc/35/76/22/197357622.db2.gz PYTXMMPUDYXURT-UHFFFAOYSA-N 1 1 278.352 2.684 20 5 CFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000172053342 379478022 /nfs/dbraw/zinc/47/80/22/379478022.db2.gz ZQMYIIFRVZMXOE-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172717721 379630145 /nfs/dbraw/zinc/63/01/45/379630145.db2.gz MNRYLFOBPDABSQ-NSHDSACASA-N 1 1 292.314 2.623 20 5 CFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000173404833 379734424 /nfs/dbraw/zinc/73/44/24/379734424.db2.gz XHPKXMHCWARZNI-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO CSCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000173471220 379743340 /nfs/dbraw/zinc/74/33/40/379743340.db2.gz QFDVOFHXWFNHID-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937508 /nfs/dbraw/zinc/93/75/08/379937508.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937513 /nfs/dbraw/zinc/93/75/13/379937513.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 1 1 291.395 2.757 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC)C1 ZINC000175170986 380012176 /nfs/dbraw/zinc/01/21/76/380012176.db2.gz VJQATPDZXBOYFZ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC)C1 ZINC000175170986 380012179 /nfs/dbraw/zinc/01/21/79/380012179.db2.gz VJQATPDZXBOYFZ-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc(CN2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000179729552 380574452 /nfs/dbraw/zinc/57/44/52/380574452.db2.gz OTOPTDNPHDTVJC-UHFFFAOYSA-N 1 1 289.379 2.573 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000341257745 380871212 /nfs/dbraw/zinc/87/12/12/380871212.db2.gz AMBPEFFSQJFRLC-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347029459 380890997 /nfs/dbraw/zinc/89/09/97/380890997.db2.gz WJOMJYXVDRBDCH-DMDPSCGWSA-N 1 1 292.335 2.539 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000182216590 381024616 /nfs/dbraw/zinc/02/46/16/381024616.db2.gz OBEAGNRGQNQIOG-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182356338 381073562 /nfs/dbraw/zinc/07/35/62/381073562.db2.gz FCWCWFCEQPZLNK-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO COC[C@@H]1CC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000354056724 381050397 /nfs/dbraw/zinc/05/03/97/381050397.db2.gz MEIDVFYZCFEKMP-JQVXPOPVSA-N 1 1 276.336 2.719 20 5 CFBDMO COCC1(C)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000358753112 381058679 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CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295818523 381094550 /nfs/dbraw/zinc/09/45/50/381094550.db2.gz CBNCABKUTFCFNI-HNNXBMFYSA-N 1 1 292.379 2.884 20 5 CFBDMO CC[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000289674833 381096889 /nfs/dbraw/zinc/09/68/89/381096889.db2.gz NTISBRWADKXUTN-IZPAUZPXSA-N 1 1 289.379 2.634 20 5 CFBDMO CC[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000295843599 381112306 /nfs/dbraw/zinc/11/23/06/381112306.db2.gz ZUBAFFXQESEDMB-CYBMUJFWSA-N 1 1 296.367 2.585 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000182364821 381076742 /nfs/dbraw/zinc/07/67/42/381076742.db2.gz DPRFWMGTJRCRGW-RISCZKNCSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000368756400 381124803 /nfs/dbraw/zinc/12/48/03/381124803.db2.gz QOEBBDCGZCFXPT-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368791183 381134449 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CC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356198 381292674 /nfs/dbraw/zinc/29/26/74/381292674.db2.gz GDFZVAZMVKBJNJ-MFKMUULPSA-N 1 1 291.351 2.692 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000342412003 381317345 /nfs/dbraw/zinc/31/73/45/381317345.db2.gz GXHIDAFAIZHFJX-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342412003 381317351 /nfs/dbraw/zinc/31/73/51/381317351.db2.gz GXHIDAFAIZHFJX-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO Cc1cc[nH+]c(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000347725789 381317804 /nfs/dbraw/zinc/31/78/04/381317804.db2.gz UNGAKEUUAAWSBI-UHFFFAOYSA-N 1 1 257.293 2.935 20 5 CFBDMO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184233971 381390329 /nfs/dbraw/zinc/39/03/29/381390329.db2.gz PZBJTQXVZDYCIF-SNVBAGLBSA-N 1 1 282.315 2.974 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184233971 381390332 /nfs/dbraw/zinc/39/03/32/381390332.db2.gz PZBJTQXVZDYCIF-SNVBAGLBSA-N 1 1 282.315 2.974 20 5 CFBDMO CCOCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354745104 381433270 /nfs/dbraw/zinc/43/32/70/381433270.db2.gz DNBNSVNDIJQOBE-VURMDHGXSA-N 1 1 264.325 2.576 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000290709237 381527316 /nfs/dbraw/zinc/52/73/16/381527316.db2.gz LJLBTDGBXJJPES-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290811633 381560935 /nfs/dbraw/zinc/56/09/35/381560935.db2.gz REHYAPKFXFLKQA-ZJUUUORDSA-N 1 1 279.315 2.771 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185360571 381610936 /nfs/dbraw/zinc/61/09/36/381610936.db2.gz YXJASWSCUMVKQQ-CQSZACIVSA-N 1 1 280.368 2.742 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cs1 ZINC000355106804 381615462 /nfs/dbraw/zinc/61/54/62/381615462.db2.gz IOEHTXKMESESHT-NEPJUHHUSA-N 1 1 282.365 2.657 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000371429287 381625295 /nfs/dbraw/zinc/62/52/95/381625295.db2.gz BWLPNTRAXXSVIQ-CQSZACIVSA-N 1 1 286.335 2.698 20 5 CFBDMO COc1ccc(OCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000298527255 381663235 /nfs/dbraw/zinc/66/32/35/381663235.db2.gz XNKKPNVXUFYLCS-UHFFFAOYSA-N 1 1 291.307 2.577 20 5 CFBDMO CCN[C@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957805 381652011 /nfs/dbraw/zinc/65/20/11/381652011.db2.gz OTAGXKGMMHWTHJ-CHWSQXEVSA-N 1 1 279.384 2.504 20 5 CFBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000359968171 381704051 /nfs/dbraw/zinc/70/40/51/381704051.db2.gz OCFMVYXRYZRVOS-LLVKDONJSA-N 1 1 281.331 2.573 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000343477871 381741705 /nfs/dbraw/zinc/74/17/05/381741705.db2.gz PAXVWUYMROTXAX-RYUDHWBXSA-N 1 1 278.356 2.501 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000291323028 381747602 /nfs/dbraw/zinc/74/76/02/381747602.db2.gz UXFCEWKKZYLEQW-UHFFFAOYSA-N 1 1 293.367 2.901 20 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/nfs/dbraw/zinc/03/66/43/382036643.db2.gz MIAKSGJLTKSKLZ-CQSZACIVSA-N 1 1 263.341 2.881 20 5 CFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C1 ZINC000301186621 382101866 /nfs/dbraw/zinc/10/18/66/382101866.db2.gz PQNVBSBLYDLKPO-GFCCVEGCSA-N 1 1 292.383 2.912 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1COC)C(C)C ZINC000357241482 382074873 /nfs/dbraw/zinc/07/48/73/382074873.db2.gz SYHWWHJRTGPEDC-UHFFFAOYSA-N 1 1 295.383 2.883 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293323416 382078868 /nfs/dbraw/zinc/07/88/68/382078868.db2.gz GBWRCNXWTSJVQO-FRRDWIJNSA-N 1 1 277.368 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000344040800 382087932 /nfs/dbraw/zinc/08/79/32/382087932.db2.gz XGKFKBGMPIAHLG-CYBMUJFWSA-N 1 1 276.336 2.706 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293355195 382091914 /nfs/dbraw/zinc/09/19/14/382091914.db2.gz IBGNXKBATDOQNR-FRRDWIJNSA-N 1 1 277.368 2.680 20 5 CFBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301286251 382137647 /nfs/dbraw/zinc/13/76/47/382137647.db2.gz QUQFJZVQEQDZNP-UHFFFAOYSA-N 1 1 286.763 2.785 20 5 CFBDMO CC[N@H+]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344217847 382206484 /nfs/dbraw/zinc/20/64/84/382206484.db2.gz NKJPEMOXCLYJEV-ZDUSSCGKSA-N 1 1 277.368 2.683 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377231235 382237476 /nfs/dbraw/zinc/23/74/76/382237476.db2.gz IUPGXQIOTHXAPD-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000301728092 382189497 /nfs/dbraw/zinc/18/94/97/382189497.db2.gz VXWKARQETUZLMN-SMDDNHRTSA-N 1 1 293.342 2.654 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165547 382288671 /nfs/dbraw/zinc/28/86/71/382288671.db2.gz ATNVXTGSIUWLLD-WDEREUQCSA-N 1 1 281.331 2.653 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000364122994 382266750 /nfs/dbraw/zinc/26/67/50/382266750.db2.gz DFZSNRAPXGKHKV-ZDUSSCGKSA-N 1 1 278.352 2.843 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=CCC2)c1 ZINC000357658113 382268821 /nfs/dbraw/zinc/26/88/21/382268821.db2.gz HCOUZMJVHOHOIJ-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900626 382366693 /nfs/dbraw/zinc/36/66/93/382366693.db2.gz CRJXPRSSYJEPQU-OLZOCXBDSA-N 1 1 280.372 2.692 20 5 CFBDMO COc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352546014 382390134 /nfs/dbraw/zinc/39/01/34/382390134.db2.gz OFSGDPKPTPBRQJ-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420418630 382403216 /nfs/dbraw/zinc/40/32/16/382403216.db2.gz XBWQOSKNUFIEHT-CHWSQXEVSA-N 1 1 277.368 2.553 20 5 CFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791491 382576643 /nfs/dbraw/zinc/57/66/43/382576643.db2.gz NMQVWRXHWXFCGZ-RISCZKNCSA-N 1 1 298.770 2.841 20 5 CFBDMO COC[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353591151 382568822 /nfs/dbraw/zinc/56/88/22/382568822.db2.gz WMQGTNINTUXVDJ-AGLBCWCQSA-N 1 1 276.336 2.576 20 5 CFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000295055839 382569113 /nfs/dbraw/zinc/56/91/13/382569113.db2.gz YPBSPRKROGEYPM-NSHDSACASA-N 1 1 293.342 2.654 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189335891 382594696 /nfs/dbraw/zinc/59/46/96/382594696.db2.gz MYRBSMMCCBUYBK-KOLCDFICSA-N 1 1 270.354 2.513 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189335891 382594699 /nfs/dbraw/zinc/59/46/99/382594699.db2.gz MYRBSMMCCBUYBK-KOLCDFICSA-N 1 1 270.354 2.513 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000189994077 382649636 /nfs/dbraw/zinc/64/96/36/382649636.db2.gz OSSFXYBWCXGPQS-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191645611 382701695 /nfs/dbraw/zinc/70/16/95/382701695.db2.gz BCZZCVPMIPUCHH-MRXNPFEDSA-N 1 1 292.379 2.968 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193591305 382721247 /nfs/dbraw/zinc/72/12/47/382721247.db2.gz JMZWDKVWBBOIKW-JTQLQIEISA-N 1 1 279.296 2.735 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193591305 382721248 /nfs/dbraw/zinc/72/12/48/382721248.db2.gz JMZWDKVWBBOIKW-JTQLQIEISA-N 1 1 279.296 2.735 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000191047813 382689397 /nfs/dbraw/zinc/68/93/97/382689397.db2.gz FGLWJOBLGRLOFW-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214747607 382777095 /nfs/dbraw/zinc/77/70/95/382777095.db2.gz VUGVJQBPCYVGLE-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000575805909 382799710 /nfs/dbraw/zinc/79/97/10/382799710.db2.gz PMXKCBBTXURTHV-GDBMZVCRSA-N 1 1 292.379 2.620 20 5 CFBDMO CC(C)n1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000226241319 382825138 /nfs/dbraw/zinc/82/51/38/382825138.db2.gz YQZLBDAIPCIGAK-UHFFFAOYSA-N 1 1 274.324 2.662 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227119615 382833922 /nfs/dbraw/zinc/83/39/22/382833922.db2.gz LIYKGALDWGZFLG-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CC[N@@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000227276441 382834869 /nfs/dbraw/zinc/83/48/69/382834869.db2.gz KDAYNDRIVLAODA-UHFFFAOYSA-N 1 1 284.747 2.539 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000227380160 382836859 /nfs/dbraw/zinc/83/68/59/382836859.db2.gz CUULYMQIIRZWIM-HOCLYGCPSA-N 1 1 290.363 2.722 20 5 CFBDMO CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000228210168 382845700 /nfs/dbraw/zinc/84/57/00/382845700.db2.gz GQMKYXMDIMDGQY-NWDGAFQWSA-N 1 1 293.367 2.888 20 5 CFBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000230911238 382863429 /nfs/dbraw/zinc/86/34/29/382863429.db2.gz DYHJQBOSHGCJSQ-DTWKUNHWSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1cccc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000337939711 382874863 /nfs/dbraw/zinc/87/48/63/382874863.db2.gz ZXTHRBFLOQNFHI-BETUJISGSA-N 1 1 294.376 2.550 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441374903 382911802 /nfs/dbraw/zinc/91/18/02/382911802.db2.gz ICYREKWYPVAFBG-WDEREUQCSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441374903 382911805 /nfs/dbraw/zinc/91/18/05/382911805.db2.gz ICYREKWYPVAFBG-WDEREUQCSA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245859150 383040839 /nfs/dbraw/zinc/04/08/39/383040839.db2.gz FBMGVGYJNMMMSJ-RISCZKNCSA-N 1 1 264.325 2.503 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000245866255 383042230 /nfs/dbraw/zinc/04/22/30/383042230.db2.gz QENRXORLGOCCAA-DLBZAZTESA-N 1 1 298.342 2.685 20 5 CFBDMO CCN[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375295 383071145 /nfs/dbraw/zinc/07/11/45/383071145.db2.gz IMTOGCFUWLJGQB-IUODEOHRSA-N 1 1 291.395 2.504 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246969052 383126698 /nfs/dbraw/zinc/12/66/98/383126698.db2.gz XTAUKPGMEXHNSC-HOCLYGCPSA-N 1 1 290.363 2.638 20 5 CFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000339004486 383116905 /nfs/dbraw/zinc/11/69/05/383116905.db2.gz XIMMZWWQXUFPRE-VXGBXAGGSA-N 1 1 278.356 2.665 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(N(C)C)C1 ZINC000520428331 383256875 /nfs/dbraw/zinc/25/68/75/383256875.db2.gz QYVJFNQCPPXVPA-GHXNOFRVSA-N 1 1 289.379 2.680 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248607087 383270406 /nfs/dbraw/zinc/27/04/06/383270406.db2.gz DCXFHYSTMITCLV-ZJUUUORDSA-N 1 1 282.315 2.973 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248629747 383274722 /nfs/dbraw/zinc/27/47/22/383274722.db2.gz OUGLIDLDEJXZGM-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567472740 383278548 /nfs/dbraw/zinc/27/85/48/383278548.db2.gz PKJSECZZQWBDTH-IKKNBEIESA-N 1 1 288.347 2.719 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248337711 383224530 /nfs/dbraw/zinc/22/45/30/383224530.db2.gz HNYMPWZFXUWWIZ-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449422406 383283120 /nfs/dbraw/zinc/28/31/20/383283120.db2.gz DBVGKHZZILLKMS-CQSZACIVSA-N 1 1 276.336 2.978 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000449422406 383283123 /nfs/dbraw/zinc/28/31/23/383283123.db2.gz DBVGKHZZILLKMS-CQSZACIVSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000524619786 383376792 /nfs/dbraw/zinc/37/67/92/383376792.db2.gz JGFXUHGKLXHWBE-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1oncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000526082792 383427860 /nfs/dbraw/zinc/42/78/60/383427860.db2.gz NTJUFQAHMWWBHN-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000253103986 383445926 /nfs/dbraw/zinc/44/59/26/383445926.db2.gz ZDPZNGVTUACHOC-OAGGEKHMSA-N 1 1 290.363 2.720 20 5 CFBDMO CC(C)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000429335698 383519734 /nfs/dbraw/zinc/51/97/34/383519734.db2.gz SRSCHJQGHOCMIM-CYBMUJFWSA-N 1 1 292.383 2.912 20 5 CFBDMO CC(C)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000429335701 383520318 /nfs/dbraw/zinc/52/03/18/383520318.db2.gz SRSCHJQGHOCMIM-ZDUSSCGKSA-N 1 1 292.383 2.912 20 5 CFBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000569826097 383541582 /nfs/dbraw/zinc/54/15/82/383541582.db2.gz WVIQOAHIGAEDIN-XHDPSFHLSA-N 1 1 289.379 2.654 20 5 CFBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000569826097 383541589 /nfs/dbraw/zinc/54/15/89/383541589.db2.gz WVIQOAHIGAEDIN-XHDPSFHLSA-N 1 1 289.379 2.654 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1CCCC2 ZINC000450980976 383576924 /nfs/dbraw/zinc/57/69/24/383576924.db2.gz VXKYJBHTWDTPAT-UHFFFAOYSA-N 1 1 287.319 2.727 20 5 CFBDMO CS[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451320789 383589723 /nfs/dbraw/zinc/58/97/23/383589723.db2.gz MDIHVSPILMVAHY-SECBINFHSA-N 1 1 270.329 2.671 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451320789 383589728 /nfs/dbraw/zinc/58/97/28/383589728.db2.gz MDIHVSPILMVAHY-SECBINFHSA-N 1 1 270.329 2.671 20 5 CFBDMO CC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551777 383643383 /nfs/dbraw/zinc/64/33/83/383643383.db2.gz VGSOQOUKQVNKSM-UKRRQHHQSA-N 1 1 278.352 2.545 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000451550302 383643943 /nfs/dbraw/zinc/64/39/43/383643943.db2.gz IKUVXMSQJIJYNZ-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000451550302 383643946 /nfs/dbraw/zinc/64/39/46/383643946.db2.gz IKUVXMSQJIJYNZ-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489438257 383618555 /nfs/dbraw/zinc/61/85/55/383618555.db2.gz ZUAQTNUOLRNTCO-ZDUSSCGKSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489438257 383618557 /nfs/dbraw/zinc/61/85/57/383618557.db2.gz ZUAQTNUOLRNTCO-ZDUSSCGKSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489438256 383618920 /nfs/dbraw/zinc/61/89/20/383618920.db2.gz ZUAQTNUOLRNTCO-CYBMUJFWSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489438256 383618925 /nfs/dbraw/zinc/61/89/25/383618925.db2.gz ZUAQTNUOLRNTCO-CYBMUJFWSA-N 1 1 291.351 2.572 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489497525 383624933 /nfs/dbraw/zinc/62/49/33/383624933.db2.gz KVROQWVDCPRMEM-ZDUSSCGKSA-N 1 1 264.325 2.704 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000570730657 383629353 /nfs/dbraw/zinc/62/93/53/383629353.db2.gz ZFGSMVHNTJJYAY-GFCCVEGCSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000570730657 383629355 /nfs/dbraw/zinc/62/93/55/383629355.db2.gz ZFGSMVHNTJJYAY-GFCCVEGCSA-N 1 1 252.289 2.837 20 5 CFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)cc1 ZINC000530627928 383779355 /nfs/dbraw/zinc/77/93/55/383779355.db2.gz JYFKXJKJGBAFDR-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CCC(=O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573196491 383887493 /nfs/dbraw/zinc/88/74/93/383887493.db2.gz CLZQAESYFTUKRX-UHFFFAOYSA-N 1 1 276.336 2.712 20 5 CFBDMO CCC(=O)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573196491 383887500 /nfs/dbraw/zinc/88/75/00/383887500.db2.gz CLZQAESYFTUKRX-UHFFFAOYSA-N 1 1 276.336 2.712 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000265559863 383944654 /nfs/dbraw/zinc/94/46/54/383944654.db2.gz SDCLUONARSURTD-NWDGAFQWSA-N 1 1 296.758 2.682 20 5 CFBDMO CCCC[N@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577330 383956653 /nfs/dbraw/zinc/95/66/53/383956653.db2.gz SPFGUGOYDXUCRD-HNNXBMFYSA-N 1 1 291.395 2.904 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577330 383956657 /nfs/dbraw/zinc/95/66/57/383956657.db2.gz SPFGUGOYDXUCRD-HNNXBMFYSA-N 1 1 291.395 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000574284666 384072828 /nfs/dbraw/zinc/07/28/28/384072828.db2.gz GXZITHAFGHJKOE-HIFRSBDPSA-N 1 1 288.347 2.596 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574464865 384100043 /nfs/dbraw/zinc/10/00/43/384100043.db2.gz WBJPZSFVCPTWIZ-WDEREUQCSA-N 1 1 291.351 2.641 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1c(C)cccc1[N+](=O)[O-] ZINC000266275186 384133363 /nfs/dbraw/zinc/13/33/63/384133363.db2.gz RWVDUXKHOXZWJW-UHFFFAOYSA-N 1 1 274.324 2.910 20 5 CFBDMO C[C@@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266261329 384130159 /nfs/dbraw/zinc/13/01/59/384130159.db2.gz PCPFWWUZZPQGQW-ZYHUDNBSSA-N 1 1 281.331 2.653 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000351964903 285114520 /nfs/dbraw/zinc/11/45/20/285114520.db2.gz PNFGXSGFLUKUPE-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000351964903 285114523 /nfs/dbraw/zinc/11/45/23/285114523.db2.gz PNFGXSGFLUKUPE-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369467102 285112193 /nfs/dbraw/zinc/11/21/93/285112193.db2.gz LETOEIXJLXAWCW-HUUCEWRRSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000268025660 384512868 /nfs/dbraw/zinc/51/28/68/384512868.db2.gz IZCRFKGOISSLIR-QWHCGFSZSA-N 1 1 277.368 2.822 20 5 CFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143463 384542386 /nfs/dbraw/zinc/54/23/86/384542386.db2.gz LDKFIUMXYXIEOH-LKFCYVNXSA-N 1 1 279.315 2.629 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143465 384542713 /nfs/dbraw/zinc/54/27/13/384542713.db2.gz LDKFIUMXYXIEOH-OTYXRUKQSA-N 1 1 279.315 2.629 20 5 CFBDMO Cc1ccnc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268278582 384589501 /nfs/dbraw/zinc/58/95/01/384589501.db2.gz VTXARGXXQDCGTG-CYBMUJFWSA-N 1 1 292.383 2.688 20 5 CFBDMO C[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000279013206 384603260 /nfs/dbraw/zinc/60/32/60/384603260.db2.gz HCELCZHBYFTJKG-ABAIWWIYSA-N 1 1 291.395 2.857 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268881267 384684838 /nfs/dbraw/zinc/68/48/38/384684838.db2.gz WLGATTUVSRLZAM-KBPBESRZSA-N 1 1 289.379 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000301382605 285133673 /nfs/dbraw/zinc/13/36/73/285133673.db2.gz ZKSKQERTIBLIJJ-VBNZEHGJSA-N 1 1 287.363 2.515 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663338 384713952 /nfs/dbraw/zinc/71/39/52/384713952.db2.gz CTSLCXTYKSXBSY-CMPLNLGQSA-N 1 1 284.381 2.782 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663338 384713959 /nfs/dbraw/zinc/71/39/59/384713959.db2.gz CTSLCXTYKSXBSY-CMPLNLGQSA-N 1 1 284.381 2.782 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCSC1)CCO2 ZINC000356518195 285142620 /nfs/dbraw/zinc/14/26/20/285142620.db2.gz CWGIWQFCNMOPOL-NSHDSACASA-N 1 1 294.376 2.542 20 5 CFBDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270813114 385235145 /nfs/dbraw/zinc/23/51/45/385235145.db2.gz WZZBTGJCXPQWKG-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000271025327 385307088 /nfs/dbraw/zinc/30/70/88/385307088.db2.gz VUOGVQMLICMEGX-UHFFFAOYSA-N 1 1 292.360 2.747 20 5 CFBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282464255 385317124 /nfs/dbraw/zinc/31/71/24/385317124.db2.gz UEVHFBOYTKEDHV-WCQYABFASA-N 1 1 294.351 2.603 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000282575291 385344208 /nfs/dbraw/zinc/34/42/08/385344208.db2.gz FQHACJPYHZYLCA-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1F ZINC000283152729 385441260 /nfs/dbraw/zinc/44/12/60/385441260.db2.gz OMMGCHCMQBRUBI-LBPRGKRZSA-N 1 1 294.282 2.540 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000283293975 385453887 /nfs/dbraw/zinc/45/38/87/385453887.db2.gz YCVRJEZRCZNGDU-AAEUAGOBSA-N 1 1 295.358 2.648 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC=C(c3ccccc3)C2)n1 ZINC000283933947 385515199 /nfs/dbraw/zinc/51/51/99/385515199.db2.gz AYINRFZNUPCRMI-UHFFFAOYSA-N 1 1 298.346 2.581 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272583361 385568983 /nfs/dbraw/zinc/56/89/83/385568983.db2.gz SBQVIFLYRGZAFL-ZFWWWQNUSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450690551 285184104 /nfs/dbraw/zinc/18/41/04/285184104.db2.gz HAEMEWDYJMJMHN-SNVBAGLBSA-N 1 1 297.305 2.783 20 5 CFBDMO C[C@H]1CCSCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286343184 385594080 /nfs/dbraw/zinc/59/40/80/385594080.db2.gz XMYIKAFXEHBJIT-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000272623676 385578500 /nfs/dbraw/zinc/57/85/00/385578500.db2.gz YVDTVOSWCVQGBU-VXGBXAGGSA-N 1 1 284.381 2.639 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286266042 385580182 /nfs/dbraw/zinc/58/01/82/385580182.db2.gz BELKDHVQRGKYQF-CHWSQXEVSA-N 1 1 284.743 2.593 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286547843 385645754 /nfs/dbraw/zinc/64/57/54/385645754.db2.gz ZWGUUUDDFJFEFC-NNQSOWQGSA-N 1 1 289.379 2.965 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288680939 197143949 /nfs/dbraw/zinc/14/39/49/197143949.db2.gz AQWLURZJKGGGGT-NSHDSACASA-N 1 1 280.372 2.709 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274458736 385803330 /nfs/dbraw/zinc/80/33/30/385803330.db2.gz HBEYOYHQCXLIAN-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830270 386054989 /nfs/dbraw/zinc/05/49/89/386054989.db2.gz AUUGDDBMORPUHG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830270 386054993 /nfs/dbraw/zinc/05/49/93/386054993.db2.gz AUUGDDBMORPUHG-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000281213527 195152488 /nfs/dbraw/zinc/15/24/88/195152488.db2.gz CPSDQORAAIFELE-UHFFFAOYSA-N 1 1 288.351 2.970 20 5 CFBDMO CSCCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000281284798 195181291 /nfs/dbraw/zinc/18/12/91/195181291.db2.gz GOOBNCSZIPNJGB-UHFFFAOYSA-N 1 1 284.381 2.659 20 5 CFBDMO CCn1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000417988052 227374781 /nfs/dbraw/zinc/37/47/81/227374781.db2.gz GYUMGYAMCIIFBU-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281703267 195344351 /nfs/dbraw/zinc/34/43/51/195344351.db2.gz NXYDVMWNEWCJFD-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000097928854 533361165 /nfs/dbraw/zinc/36/11/65/533361165.db2.gz SCKRMYVQQAZOED-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](CC[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414889386 533579944 /nfs/dbraw/zinc/57/99/44/533579944.db2.gz SNZLSULEQBBXFU-NSHDSACASA-N 1 1 289.335 2.682 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000426483215 533566916 /nfs/dbraw/zinc/56/69/16/533566916.db2.gz OGWCDHAUDQHIPO-QWHCGFSZSA-N 1 1 276.336 2.978 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341927271 130157441 /nfs/dbraw/zinc/15/74/41/130157441.db2.gz JFDUSHIJBFDGAU-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301947379 393483737 /nfs/dbraw/zinc/48/37/37/393483737.db2.gz DCNWUUOCVYHRQI-HNNXBMFYSA-N 1 1 277.368 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000182596894 393511434 /nfs/dbraw/zinc/51/14/34/393511434.db2.gz ILZIPQRKIPEZQN-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000182596894 393511435 /nfs/dbraw/zinc/51/14/35/393511435.db2.gz ILZIPQRKIPEZQN-LBPRGKRZSA-N 1 1 288.351 2.830 20 5 CFBDMO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000189901946 393575636 /nfs/dbraw/zinc/57/56/36/393575636.db2.gz UAZKXMOWFVXOIY-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000189901946 393575640 /nfs/dbraw/zinc/57/56/40/393575640.db2.gz UAZKXMOWFVXOIY-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083417571 393742734 /nfs/dbraw/zinc/74/27/34/393742734.db2.gz FLDNBZZANFLCGO-UHFFFAOYSA-N 1 1 296.392 2.801 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCC2(O)CCC2)C2CC2)cc1 ZINC000411423830 393710752 /nfs/dbraw/zinc/71/07/52/393710752.db2.gz YUIQIERLWCBVEG-UHFFFAOYSA-N 1 1 290.363 2.864 20 5 CFBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796393 393800939 /nfs/dbraw/zinc/80/09/39/393800939.db2.gz SCVJZHZURURIGV-PHIMTYICSA-N 1 1 281.331 2.571 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470201639 393898739 /nfs/dbraw/zinc/89/87/39/393898739.db2.gz IPYWKDHZZYNSEF-LRFDDAOPSA-N 1 1 290.363 2.845 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470201642 393899311 /nfs/dbraw/zinc/89/93/11/393899311.db2.gz IPYWKDHZZYNSEF-WQMJKPAKSA-N 1 1 290.363 2.845 20 5 CFBDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616375 393942774 /nfs/dbraw/zinc/94/27/74/393942774.db2.gz LSZODEWKAJQYEB-STQMWFEESA-N 1 1 294.399 2.938 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(C)CC1 ZINC000430205491 393967772 /nfs/dbraw/zinc/96/77/72/393967772.db2.gz MPAZEMZHLLRCPW-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC=C(C)CC1 ZINC000430205491 393967775 /nfs/dbraw/zinc/96/77/75/393967775.db2.gz MPAZEMZHLLRCPW-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO CC(C)[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269402870 394004028 /nfs/dbraw/zinc/00/40/28/394004028.db2.gz VFHUCQVFBRXCDH-UHFFFAOYSA-N 1 1 298.774 2.564 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000273504997 394035122 /nfs/dbraw/zinc/03/51/22/394035122.db2.gz ZLLUKFCTVHLOGG-HUUCEWRRSA-N 1 1 276.336 2.657 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000273504997 394035125 /nfs/dbraw/zinc/03/51/25/394035125.db2.gz ZLLUKFCTVHLOGG-HUUCEWRRSA-N 1 1 276.336 2.657 20 5 CFBDMO CSCCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000439478835 394118825 /nfs/dbraw/zinc/11/88/25/394118825.db2.gz OLYDTXOEUCNVHH-UHFFFAOYSA-N 1 1 284.381 2.659 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000439490589 394119868 /nfs/dbraw/zinc/11/98/68/394119868.db2.gz GPBRCDBGUPVNGA-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1cc(N(C)C[C@@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420630555 394121309 /nfs/dbraw/zinc/12/13/09/394121309.db2.gz DWENXMNYWJHCHI-NSHDSACASA-N 1 1 281.331 2.573 20 5 CFBDMO CCOC1CC(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285357941 394141528 /nfs/dbraw/zinc/14/15/28/394141528.db2.gz QAMLRHDLNUUIGF-UHFFFAOYSA-N 1 1 292.379 2.884 20 5 CFBDMO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360068209 394145638 /nfs/dbraw/zinc/14/56/38/394145638.db2.gz ZUKGIMBLXPIWSO-OAHLLOKOSA-N 1 1 295.358 2.819 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287433064 394204914 /nfs/dbraw/zinc/20/49/14/394204914.db2.gz PQAMWXYIODAZIV-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO CCOc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928205 394206265 /nfs/dbraw/zinc/20/62/65/394206265.db2.gz GQMKYXMDIMDGQY-NEPJUHHUSA-N 1 1 293.367 2.888 20 5 CFBDMO COCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240617 394213539 /nfs/dbraw/zinc/21/35/39/394213539.db2.gz OIARJYOHGFLUIB-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290777102 394233524 /nfs/dbraw/zinc/23/35/24/394233524.db2.gz MKNIZGHAHRRKQO-GJZGRUSLSA-N 1 1 290.363 2.749 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292672 394281902 /nfs/dbraw/zinc/28/19/02/394281902.db2.gz ZHBLDEDSDAVPNS-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000157961924 394352749 /nfs/dbraw/zinc/35/27/49/394352749.db2.gz NGWHVIDSQJJPQQ-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158174785 394355104 /nfs/dbraw/zinc/35/51/04/394355104.db2.gz DKERQGRKQQGHCD-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000158174785 394355109 /nfs/dbraw/zinc/35/51/09/394355109.db2.gz DKERQGRKQQGHCD-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000543793574 394743788 /nfs/dbraw/zinc/74/37/88/394743788.db2.gz MGHPAZICPLJKTI-CYBMUJFWSA-N 1 1 292.383 2.749 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000558629356 395067020 /nfs/dbraw/zinc/06/70/20/395067020.db2.gz WCUUBEPSYCQPQS-NSHDSACASA-N 1 1 291.307 2.621 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000579564247 395097883 /nfs/dbraw/zinc/09/78/83/395097883.db2.gz TVWRFCGJUHJNLK-UHFFFAOYSA-N 1 1 283.331 2.768 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000356357441 155238273 /nfs/dbraw/zinc/23/82/73/155238273.db2.gz FXISKQUBXUWABK-SWLSCSKDSA-N 1 1 292.379 2.886 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356746431 155350986 /nfs/dbraw/zinc/35/09/86/155350986.db2.gz QXCSUINNBLIHKM-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000343318927 154174550 /nfs/dbraw/zinc/17/45/50/154174550.db2.gz LANYYTIJNFFQHX-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000355445291 155009556 /nfs/dbraw/zinc/00/95/56/155009556.db2.gz IVESYQDMGGCCHH-UHFFFAOYSA-N 1 1 296.286 2.803 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367065818 156275088 /nfs/dbraw/zinc/27/50/88/156275088.db2.gz HDUDFPOLYFDQBH-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCOCC3)cc1F ZINC000367292480 156309377 /nfs/dbraw/zinc/30/93/77/156309377.db2.gz SCSSUKYQFPTNJZ-UHFFFAOYSA-N 1 1 294.326 2.879 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374675976 157146539 /nfs/dbraw/zinc/14/65/39/157146539.db2.gz GHHNHXPLJULFMY-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CC2)C1 ZINC000408175137 157384164 /nfs/dbraw/zinc/38/41/64/157384164.db2.gz QLFIDMRKXNJITJ-GFCCVEGCSA-N 1 1 276.336 2.768 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000344375080 162026494 /nfs/dbraw/zinc/02/64/94/162026494.db2.gz JGVCGUJAMBDBKO-HNNXBMFYSA-N 1 1 290.294 2.557 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000344634797 162085647 /nfs/dbraw/zinc/08/56/47/162085647.db2.gz NCQCNNKRXONFLN-VIFPVBQESA-N 1 1 279.271 2.605 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+](C)C(C)C ZINC000344892273 162142983 /nfs/dbraw/zinc/14/29/83/162142983.db2.gz XNISSDFHEFDVEK-UVTDQMKNSA-N 1 1 291.395 2.928 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+](C)C(C)C ZINC000344892273 162142986 /nfs/dbraw/zinc/14/29/86/162142986.db2.gz XNISSDFHEFDVEK-UVTDQMKNSA-N 1 1 291.395 2.928 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000345355457 162233381 /nfs/dbraw/zinc/23/33/81/162233381.db2.gz MCUBRBNBXJMWGR-ZWNOBZJWSA-N 1 1 286.335 2.895 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000346163283 162336108 /nfs/dbraw/zinc/33/61/08/162336108.db2.gz LSZAJWMPOSBXPU-RYUDHWBXSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349818165 163019725 /nfs/dbraw/zinc/01/97/25/163019725.db2.gz HBAOEORFPCRNBS-QMMMGPOBSA-N 1 1 297.261 2.744 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCF)CC2 ZINC000351878037 163209397 /nfs/dbraw/zinc/20/93/97/163209397.db2.gz QYQNKSHBCQBENG-UHFFFAOYSA-N 1 1 252.289 2.703 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000352776315 163232685 /nfs/dbraw/zinc/23/26/85/163232685.db2.gz BSMSYHXHCQUFOH-LLVKDONJSA-N 1 1 282.365 2.541 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000353091772 163305713 /nfs/dbraw/zinc/30/57/13/163305713.db2.gz HXBFVHQAMUARBM-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353091772 163305715 /nfs/dbraw/zinc/30/57/15/163305715.db2.gz HXBFVHQAMUARBM-CYBMUJFWSA-N 1 1 279.384 2.805 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353093613 163307047 /nfs/dbraw/zinc/30/70/47/163307047.db2.gz MKFCKPMBTUSERF-NSHDSACASA-N 1 1 283.347 2.552 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284315120 196029017 /nfs/dbraw/zinc/02/90/17/196029017.db2.gz ASEVYDITPGAFOA-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000020123811 171005727 /nfs/dbraw/zinc/00/57/27/171005727.db2.gz DGMDJRKHNHXBHX-NSHDSACASA-N 1 1 257.293 2.841 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000020127929 171013613 /nfs/dbraw/zinc/01/36/13/171013613.db2.gz JWFZQOMAKPPACQ-LLVKDONJSA-N 1 1 257.293 2.841 20 5 CFBDMO Cc1ccncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285206924 196220681 /nfs/dbraw/zinc/22/06/81/196220681.db2.gz DHRGVLSFNNIXIH-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000285248510 196231447 /nfs/dbraw/zinc/23/14/47/196231447.db2.gz HAAYIEBHKBTKKO-AWEZNQCLSA-N 1 1 278.352 2.638 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000285298359 196244990 /nfs/dbraw/zinc/24/49/90/196244990.db2.gz KYCWYCSKQSANGN-AWEZNQCLSA-N 1 1 278.352 2.638 20 5 CFBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000035692067 172360558 /nfs/dbraw/zinc/36/05/58/172360558.db2.gz VXPAGKIXSMXJBO-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO Cn1nccc1C1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000285567594 196329056 /nfs/dbraw/zinc/32/90/56/196329056.db2.gz JYEJTASWUAMXCY-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cn1nccc1C1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000285567594 196329057 /nfs/dbraw/zinc/32/90/57/196329057.db2.gz JYEJTASWUAMXCY-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO CO[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000285634156 196351739 /nfs/dbraw/zinc/35/17/39/196351739.db2.gz KZOKXUQSWAUZDB-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000285634156 196351741 /nfs/dbraw/zinc/35/17/41/196351741.db2.gz KZOKXUQSWAUZDB-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO CC(C)C[C@@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000037166546 173000921 /nfs/dbraw/zinc/00/09/21/173000921.db2.gz XNANIHABCGXUGD-AWEZNQCLSA-N 1 1 279.384 2.661 20 5 CFBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000037562587 173272913 /nfs/dbraw/zinc/27/29/13/173272913.db2.gz SMDQBLLYNXHBMT-VIFPVBQESA-N 1 1 263.322 2.902 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071377550 176142794 /nfs/dbraw/zinc/14/27/94/176142794.db2.gz MNHLSUMEUBZBPQ-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000071954228 176304578 /nfs/dbraw/zinc/30/45/78/176304578.db2.gz TXWTUPZHLIBSJH-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152688467 261067854 /nfs/dbraw/zinc/06/78/54/261067854.db2.gz AMMXTXOHDXLYKR-BETUJISGSA-N 1 1 276.336 2.706 20 5 CFBDMO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC000391188822 270306090 /nfs/dbraw/zinc/30/60/90/270306090.db2.gz UNCNZWWXNJSUMP-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO Cc1c(C[NH2+][C@@H](C)c2ccncn2)cccc1[N+](=O)[O-] ZINC000395874832 270313682 /nfs/dbraw/zinc/31/36/82/270313682.db2.gz ALAJDCIBXMETQC-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO Cc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000398005650 270321010 /nfs/dbraw/zinc/32/10/10/270321010.db2.gz XSFUDVQDBHXDNU-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000507175083 274023786 /nfs/dbraw/zinc/02/37/86/274023786.db2.gz UQLFPEWDRIOEFI-GQCTYLIASA-N 1 1 276.336 2.719 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123606661 274386764 /nfs/dbraw/zinc/38/67/64/274386764.db2.gz ZNXXPJCGUUGXDV-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000367461525 275035481 /nfs/dbraw/zinc/03/54/81/275035481.db2.gz AJVRIZFNJLVBGE-UHFFFAOYSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000367461525 275035482 /nfs/dbraw/zinc/03/54/82/275035482.db2.gz AJVRIZFNJLVBGE-UHFFFAOYSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217363193 275037137 /nfs/dbraw/zinc/03/71/37/275037137.db2.gz XHQPNVFOJJIBBH-KBPBESRZSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414957022 275039877 /nfs/dbraw/zinc/03/98/77/275039877.db2.gz PESWQIWJHCXNNJ-INIZCTEOSA-N 1 1 297.358 2.571 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000290009429 276133858 /nfs/dbraw/zinc/13/38/58/276133858.db2.gz ZNHPUEVZILXIFM-HUUCEWRRSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000172053334 276134371 /nfs/dbraw/zinc/13/43/71/276134371.db2.gz ZQMYIIFRVZMXOE-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@@H]1C ZINC000444672558 276139908 /nfs/dbraw/zinc/13/99/08/276139908.db2.gz HDFXKGZZFDGVII-NWDGAFQWSA-N 1 1 280.372 2.729 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000342930549 277042421 /nfs/dbraw/zinc/04/24/21/277042421.db2.gz HWJSSLQQZCNQRE-UHFFFAOYSA-N 1 1 293.342 2.799 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272215434 277178273 /nfs/dbraw/zinc/17/82/73/277178273.db2.gz QZQYNXRBEOSOIH-HZMBPMFUSA-N 1 1 295.770 2.779 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425956906 278036354 /nfs/dbraw/zinc/03/63/54/278036354.db2.gz GJNAUKNUNZEQNB-TZMCWYRMSA-N 1 1 292.379 2.921 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461896 278347111 /nfs/dbraw/zinc/34/71/11/278347111.db2.gz NLCKJXINWHXFKK-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461896 278347112 /nfs/dbraw/zinc/34/71/12/278347112.db2.gz NLCKJXINWHXFKK-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000186531000 278366389 /nfs/dbraw/zinc/36/63/89/278366389.db2.gz YPUIBPSPDOOGGM-RISCZKNCSA-N 1 1 290.319 2.962 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280565047 279357942 /nfs/dbraw/zinc/35/79/42/279357942.db2.gz RNPRXLZEGPJHKA-GFCCVEGCSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193088 280111271 /nfs/dbraw/zinc/11/12/71/280111271.db2.gz MFZFQBAQWOADNH-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000430238492 281232686 /nfs/dbraw/zinc/23/26/86/281232686.db2.gz KMLKFMUHHACXEN-PHIMTYICSA-N 1 1 264.325 2.691 20 5 CFBDMO Cc1cccc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000547786012 281754414 /nfs/dbraw/zinc/75/44/14/281754414.db2.gz FUHYRRQNNLYDML-UHFFFAOYSA-N 1 1 269.304 2.861 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375235842 290233856 /nfs/dbraw/zinc/23/38/56/290233856.db2.gz WYSZUHNUPXRYSY-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nc(C)n1 ZINC000566475682 290391054 /nfs/dbraw/zinc/39/10/54/290391054.db2.gz OMBMYGUQXIEQMK-HNNXBMFYSA-N 1 1 298.346 2.779 20 5 CFBDMO Cc1oncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189327245 324027706 /nfs/dbraw/zinc/02/77/06/324027706.db2.gz AJWGEGPJQVWQLJ-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000384159488 324443928 /nfs/dbraw/zinc/44/39/28/324443928.db2.gz JIGXWJSNBRQPRA-MRVPVSSYSA-N 1 1 278.337 2.606 20 5 CFBDMO CCc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000581736239 325147166 /nfs/dbraw/zinc/14/71/66/325147166.db2.gz PGNPSGUPHNNJLN-AWEZNQCLSA-N 1 1 287.319 2.922 20 5 CFBDMO CCn1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000583273274 325274537 /nfs/dbraw/zinc/27/45/37/325274537.db2.gz LKYLHMMCNHRCRF-CQSZACIVSA-N 1 1 286.335 2.588 20 5 CFBDMO Cc1[nH+]cc(CNCc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000583824278 325313585 /nfs/dbraw/zinc/31/35/85/325313585.db2.gz ZFNKKSJPZFUIHX-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000584206965 325337264 /nfs/dbraw/zinc/33/72/64/325337264.db2.gz BSYRLGAHFVMRMB-UHFFFAOYSA-N 1 1 292.335 2.611 20 5 CFBDMO CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000049480642 521486174 /nfs/dbraw/zinc/48/61/74/521486174.db2.gz XTCWGEBCYSOMLD-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445221 520522644 /nfs/dbraw/zinc/52/26/44/520522644.db2.gz WNYUWBYFCGWJSX-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCOc1cc(C[N@@H+](CC)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361588985 520697549 /nfs/dbraw/zinc/69/75/49/520697549.db2.gz NVLUNCYDTOEPLC-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@@H](NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111009 522833056 /nfs/dbraw/zinc/83/30/56/522833056.db2.gz UIKUEHFDJMDSAY-OAHLLOKOSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111009 522833063 /nfs/dbraw/zinc/83/30/63/522833063.db2.gz UIKUEHFDJMDSAY-OAHLLOKOSA-N 1 1 279.384 2.976 20 5 CFBDMO COCC1=CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361138426 522923660 /nfs/dbraw/zinc/92/36/60/522923660.db2.gz AHRSLZVDELFAPW-XQRVVYSFSA-N 1 1 288.347 2.887 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000075860270 522933965 /nfs/dbraw/zinc/93/39/65/522933965.db2.gz NYCRVZZHLGZSBL-OAHLLOKOSA-N 1 1 291.395 2.901 20 5 CFBDMO CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072038 523278818 /nfs/dbraw/zinc/27/88/18/523278818.db2.gz UASJQHLMKYSAIU-AWEZNQCLSA-N 1 1 296.392 2.801 20 5 CFBDMO COc1ccncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340404248 524858186 /nfs/dbraw/zinc/85/81/86/524858186.db2.gz YXRHOMASKWIUMS-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO COc1ccncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340402377 524859060 /nfs/dbraw/zinc/85/90/60/524859060.db2.gz FABKDZOCOCBKCO-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO Cc1c(CN2CCC[N@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000061040863 525704342 /nfs/dbraw/zinc/70/43/42/525704342.db2.gz YJNPUQYZAOBGFL-UHFFFAOYSA-N 1 1 289.379 2.573 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000174844325 534889263 /nfs/dbraw/zinc/88/92/63/534889263.db2.gz GTUSISJRKGYJAD-UHFFFAOYSA-N 1 1 292.383 2.836 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC000360668065 526060824 /nfs/dbraw/zinc/06/08/24/526060824.db2.gz CYTKLOBIYWDPQP-CHWSQXEVSA-N 1 1 292.383 2.973 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172347478 526085059 /nfs/dbraw/zinc/08/50/59/526085059.db2.gz BDYKDOSNQRJMID-CYBMUJFWSA-N 1 1 289.379 2.826 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829714 527404450 /nfs/dbraw/zinc/40/44/50/527404450.db2.gz DMZVNJNBSNUVEQ-VXGBXAGGSA-N 1 1 261.325 2.634 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413093553 529015231 /nfs/dbraw/zinc/01/52/31/529015231.db2.gz OIAUCHFUKMPNFP-NSHDSACASA-N 1 1 296.346 2.661 20 5 CFBDMO Cc1ccc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000754062172 574067428 /nfs/dbraw/zinc/06/74/28/574067428.db2.gz YAUAZJIWMQEIGP-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000754078791 574069636 /nfs/dbraw/zinc/06/96/36/574069636.db2.gz ACHLVQVWCGTIGJ-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000754078791 574069641 /nfs/dbraw/zinc/06/96/41/574069641.db2.gz ACHLVQVWCGTIGJ-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728563382 574100872 /nfs/dbraw/zinc/10/08/72/574100872.db2.gz SPWSANZKTPDMJM-AWEZNQCLSA-N 1 1 286.335 2.776 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049997 574132079 /nfs/dbraw/zinc/13/20/79/574132079.db2.gz ZYSQFEMSHPYTBJ-QWHCGFSZSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049997 574132081 /nfs/dbraw/zinc/13/20/81/574132081.db2.gz ZYSQFEMSHPYTBJ-QWHCGFSZSA-N 1 1 277.368 2.730 20 5 CFBDMO CCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000746047021 574132385 /nfs/dbraw/zinc/13/23/85/574132385.db2.gz IJOQQPXOIRNWSZ-SNVBAGLBSA-N 1 1 274.324 2.731 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059953 574157434 /nfs/dbraw/zinc/15/74/34/574157434.db2.gz ZMVLBDXGYZFPFL-AAEUAGOBSA-N 1 1 266.345 2.649 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000725771663 574305944 /nfs/dbraw/zinc/30/59/44/574305944.db2.gz IWPQGTZCULOJNZ-UHFFFAOYSA-N 1 1 278.356 2.794 20 5 CFBDMO Cc1ccccc1[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725780555 574306908 /nfs/dbraw/zinc/30/69/08/574306908.db2.gz VNMWAFXEKGCAFL-CYBMUJFWSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725780555 574306910 /nfs/dbraw/zinc/30/69/10/574306910.db2.gz VNMWAFXEKGCAFL-CYBMUJFWSA-N 1 1 286.335 2.547 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(C2CCCC2)CC1 ZINC000743376475 574361987 /nfs/dbraw/zinc/36/19/87/574361987.db2.gz HEYQYBSRKVOYLX-UHFFFAOYSA-N 1 1 278.356 2.651 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891782569 617750963 /nfs/dbraw/zinc/75/09/63/617750963.db2.gz UXNLBLOLPNAMBB-NSHDSACASA-N 1 1 280.324 2.683 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705571 617775460 /nfs/dbraw/zinc/77/54/60/617775460.db2.gz XBCKPNSNVHCWGE-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705571 617775461 /nfs/dbraw/zinc/77/54/61/617775461.db2.gz XBCKPNSNVHCWGE-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000892101941 617949883 /nfs/dbraw/zinc/94/98/83/617949883.db2.gz OYEFVHXQSJBENV-VHSXEESVSA-N 1 1 280.324 2.539 20 5 CFBDMO COc1c(O)ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892223921 618013032 /nfs/dbraw/zinc/01/30/32/618013032.db2.gz NPERETPSXYQMBT-AOOOYVTPSA-N 1 1 280.324 2.682 20 5 CFBDMO CCOC(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000091948681 618107119 /nfs/dbraw/zinc/10/71/19/618107119.db2.gz NSUMIKICDWNWIP-LLVKDONJSA-N 1 1 282.340 2.645 20 5 CFBDMO C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000090794976 618195281 /nfs/dbraw/zinc/19/52/81/618195281.db2.gz NROUNMRJLWEAQR-NXEZZACHSA-N 1 1 267.304 2.629 20 5 CFBDMO CCOC(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000091948680 618254204 /nfs/dbraw/zinc/25/42/04/618254204.db2.gz NSUMIKICDWNWIP-NSHDSACASA-N 1 1 282.340 2.645 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357864 618466809 /nfs/dbraw/zinc/46/68/09/618466809.db2.gz UPDNIPIZCVJASV-NSHDSACASA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H]1CCCN1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357864 618466812 /nfs/dbraw/zinc/46/68/12/618466812.db2.gz UPDNIPIZCVJASV-NSHDSACASA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000925690041 618933721 /nfs/dbraw/zinc/93/37/21/618933721.db2.gz CZXUHHWTPGHQEI-MNOVXSKESA-N 1 1 272.308 2.797 20 5 CFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000312004912 619096428 /nfs/dbraw/zinc/09/64/28/619096428.db2.gz SGPVDWJIFJTPNJ-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895735055 619596394 /nfs/dbraw/zinc/59/63/94/619596394.db2.gz CGIAVAADMWBGPB-JQWIXIFHSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737280 619597600 /nfs/dbraw/zinc/59/76/00/619597600.db2.gz PCAPUGFVMMWNJK-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895737492 619597957 /nfs/dbraw/zinc/59/79/57/619597957.db2.gz WMXOHBXPFFNSRB-JQWIXIFHSA-N 1 1 291.351 2.692 20 5 CFBDMO CCn1cnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000902302343 621026889 /nfs/dbraw/zinc/02/68/89/621026889.db2.gz SJHUQIQTUBJOOZ-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO CCN(CC)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056817 621236120 /nfs/dbraw/zinc/23/61/20/621236120.db2.gz YPNYULLDAKTLAT-GFCCVEGCSA-N 1 1 295.383 2.596 20 5 CFBDMO C[C@@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288187 621319033 /nfs/dbraw/zinc/31/90/33/621319033.db2.gz UJIRTFZIOFBGBM-SCRDCRAPSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288187 621319034 /nfs/dbraw/zinc/31/90/34/621319034.db2.gz UJIRTFZIOFBGBM-SCRDCRAPSA-N 1 1 289.379 2.871 20 5 CFBDMO CCC[C@H]([NH2+]Cc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000903353140 621344250 /nfs/dbraw/zinc/34/42/50/621344250.db2.gz ZKPIJUIWLMMGEN-HNNXBMFYSA-N 1 1 288.351 2.959 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832779060 625513364 /nfs/dbraw/zinc/51/33/64/625513364.db2.gz TVFMYMKAXILDIG-AWEZNQCLSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821332238 622896000 /nfs/dbraw/zinc/89/60/00/622896000.db2.gz MFDBNSLAORASHP-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000164246536 622943233 /nfs/dbraw/zinc/94/32/33/622943233.db2.gz QCMLGABFJZSRHY-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)C(C)C ZINC000064111969 623432184 /nfs/dbraw/zinc/43/21/84/623432184.db2.gz LHULFXWZJFAKHG-NSHDSACASA-N 1 1 268.361 2.732 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCn2ccnc21 ZINC000824522578 623515452 /nfs/dbraw/zinc/51/54/52/623515452.db2.gz XEKLMFUEWAYVKO-DXTPNHAXSA-N 1 1 284.319 2.539 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000915208259 623998578 /nfs/dbraw/zinc/99/85/78/623998578.db2.gz DEKBZBOHQALRBK-KWCYVHTRSA-N 1 1 278.356 2.649 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC[C@H]1CCOC1)C2 ZINC000828100059 624172966 /nfs/dbraw/zinc/17/29/66/624172966.db2.gz XKVKWMIJPPZGBV-ZDUSSCGKSA-N 1 1 290.363 2.770 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1C2CCC1CC2 ZINC000917039822 624301700 /nfs/dbraw/zinc/30/17/00/624301700.db2.gz HLHIZOOZTDYQFC-UHFFFAOYSA-N 1 1 250.273 2.861 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000917432302 624343477 /nfs/dbraw/zinc/34/34/77/624343477.db2.gz CDQHHAKPTHGRBR-JHJVBQTASA-N 1 1 278.356 2.649 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@H]2CCn3ccnc32)cccc1[N+](=O)[O-] ZINC000834837424 625896071 /nfs/dbraw/zinc/89/60/71/625896071.db2.gz WFQJCRQQMCAKMK-AAEUAGOBSA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1[N+](=O)[O-] ZINC000921968590 626187377 /nfs/dbraw/zinc/18/73/77/626187377.db2.gz YUZYXVRKHQPZPR-NSHDSACASA-N 1 1 292.314 2.612 20 5 CFBDMO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000929385410 626470942 /nfs/dbraw/zinc/47/09/42/626470942.db2.gz RDWMBFOMOZPZJM-UHFFFAOYSA-N 1 1 276.258 2.804 20 5 CFBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000929385410 626470944 /nfs/dbraw/zinc/47/09/44/626470944.db2.gz RDWMBFOMOZPZJM-UHFFFAOYSA-N 1 1 276.258 2.804 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669354 626551694 /nfs/dbraw/zinc/55/16/94/626551694.db2.gz OVRVSJVCGLYOCC-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669354 626551695 /nfs/dbraw/zinc/55/16/95/626551695.db2.gz OVRVSJVCGLYOCC-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO CCC[N@@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764947089 627108173 /nfs/dbraw/zinc/10/81/73/627108173.db2.gz PUBSLNCRCGJJNJ-UHFFFAOYSA-N 1 1 276.340 2.942 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765049318 627115583 /nfs/dbraw/zinc/11/55/83/627115583.db2.gz OSVGYUYWIMMXJW-SNVBAGLBSA-N 1 1 274.324 2.695 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765080668 627118034 /nfs/dbraw/zinc/11/80/34/627118034.db2.gz RTZMBWBXCICARU-LBPRGKRZSA-N 1 1 288.351 2.942 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765645031 627152437 /nfs/dbraw/zinc/15/24/37/627152437.db2.gz YKLHNNGMLLHXKZ-STQMWFEESA-N 1 1 277.368 2.822 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000765644632 627152605 /nfs/dbraw/zinc/15/26/05/627152605.db2.gz YKLHNNGMLLHXKZ-OLZOCXBDSA-N 1 1 277.368 2.822 20 5 CFBDMO CO[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000851869721 634565050 /nfs/dbraw/zinc/56/50/50/634565050.db2.gz PAAJGJGARSGONM-INIZCTEOSA-N 1 1 290.363 2.768 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459447 627605937 /nfs/dbraw/zinc/60/59/37/627605937.db2.gz KHMRGLCBTWKWDW-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274985 628124975 /nfs/dbraw/zinc/12/49/75/628124975.db2.gz FDUMUNAUFGRJQW-FZMZJTMJSA-N 1 1 266.341 2.605 20 5 CFBDMO CC(C)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279927 628125761 /nfs/dbraw/zinc/12/57/61/628125761.db2.gz VBULHOQUHDRFIP-CABCVRRESA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279080 628126123 /nfs/dbraw/zinc/12/61/23/628126123.db2.gz WYPKRWJMAZDBPX-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776584292 628161368 /nfs/dbraw/zinc/16/13/68/628161368.db2.gz KIBVIDBZZYHBLC-TYNCELHUSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778401363 628305165 /nfs/dbraw/zinc/30/51/65/628305165.db2.gz WILAUUGBLRSXOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778401363 628305168 /nfs/dbraw/zinc/30/51/68/628305168.db2.gz WILAUUGBLRSXOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588817 628562989 /nfs/dbraw/zinc/56/29/89/628562989.db2.gz XIUYLZIFMLJSAQ-NHYWBVRUSA-N 1 1 292.383 2.878 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981956 628594821 /nfs/dbraw/zinc/59/48/21/628594821.db2.gz LZMMMDPLUJRYOK-ZBFHGGJFSA-N 1 1 292.379 2.996 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)cc1F ZINC000852158873 634675153 /nfs/dbraw/zinc/67/51/53/634675153.db2.gz JGCRXFVOKYHNLK-UHFFFAOYSA-N 1 1 294.326 2.613 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@H+]1C ZINC000783679759 628734221 /nfs/dbraw/zinc/73/42/21/628734221.db2.gz RCKRELRKARCBKF-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452250 629158060 /nfs/dbraw/zinc/15/80/60/629158060.db2.gz SBEJUGDXRCHSCZ-LMOYCYGVSA-N 1 1 292.379 2.995 20 5 CFBDMO CC1=C(C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794883200 629699764 /nfs/dbraw/zinc/69/97/64/629699764.db2.gz ZXBHGYQRQQJMOL-UHFFFAOYSA-N 1 1 286.335 2.944 20 5 CFBDMO CC1=C(C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794883200 629699768 /nfs/dbraw/zinc/69/97/68/629699768.db2.gz ZXBHGYQRQQJMOL-UHFFFAOYSA-N 1 1 286.335 2.944 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CCC1 ZINC000795191351 629743073 /nfs/dbraw/zinc/74/30/73/629743073.db2.gz DLJRVTOEFYVZJD-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CCC1 ZINC000795191351 629743074 /nfs/dbraw/zinc/74/30/74/629743074.db2.gz DLJRVTOEFYVZJD-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744188 629828941 /nfs/dbraw/zinc/82/89/41/629828941.db2.gz LLIJVYQRCCNWDZ-OCCSQVGLSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795744188 629828947 /nfs/dbraw/zinc/82/89/47/629828947.db2.gz LLIJVYQRCCNWDZ-OCCSQVGLSA-N 1 1 286.335 2.832 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797420041 630064835 /nfs/dbraw/zinc/06/48/35/630064835.db2.gz XETUQQJGVBBEQX-LLVKDONJSA-N 1 1 286.335 2.800 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000804444113 630682060 /nfs/dbraw/zinc/68/20/60/630682060.db2.gz UYHRHGWCGKTVRA-LBPRGKRZSA-N 1 1 291.351 2.551 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778552 631047245 /nfs/dbraw/zinc/04/72/45/631047245.db2.gz ZRXUDHNMZHZDTD-GOEBONIOSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000842166211 631558041 /nfs/dbraw/zinc/55/80/41/631558041.db2.gz JNJXHMQHWZHAPP-YXMPFFBPSA-N 1 1 278.352 2.605 20 5 CFBDMO CC(C)CC(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842648052 631691372 /nfs/dbraw/zinc/69/13/72/631691372.db2.gz MXIARLACOOVABP-UHFFFAOYSA-N 1 1 269.276 2.778 20 5 CFBDMO CC(C)C[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170642 631876490 /nfs/dbraw/zinc/87/64/90/631876490.db2.gz IKKZISHTFWQNLY-NSHDSACASA-N 1 1 290.323 2.615 20 5 CFBDMO Cc1ccc(-c2noc([C@H]([NH3+])CC(F)F)n2)cc1[N+](=O)[O-] ZINC000843178786 631881412 /nfs/dbraw/zinc/88/14/12/631881412.db2.gz KJWWTGFVTAROOJ-MRVPVSSYSA-N 1 1 298.249 2.608 20 5 CFBDMO Cc1ccc(-c2noc([C@@H]([NH3+])CC(C)C)n2)cc1[N+](=O)[O-] ZINC000843178389 631881566 /nfs/dbraw/zinc/88/15/66/631881566.db2.gz BWCLPNYTULIBJI-NSHDSACASA-N 1 1 290.323 2.999 20 5 CFBDMO Cc1c(-c2noc([C@@H]([NH3+])CC(C)C)n2)cccc1[N+](=O)[O-] ZINC000843238800 631910494 /nfs/dbraw/zinc/91/04/94/631910494.db2.gz ZQPXKKHAGXLLLN-NSHDSACASA-N 1 1 290.323 2.999 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000843420654 631951458 /nfs/dbraw/zinc/95/14/58/631951458.db2.gz BINBTZMIQRKBJP-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000815162058 632221419 /nfs/dbraw/zinc/22/14/19/632221419.db2.gz CBTMVOSHVNJDKR-DTWKUNHWSA-N 1 1 261.281 2.576 20 5 CFBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000815162058 632221421 /nfs/dbraw/zinc/22/14/21/632221421.db2.gz CBTMVOSHVNJDKR-DTWKUNHWSA-N 1 1 261.281 2.576 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817414024 632625882 /nfs/dbraw/zinc/62/58/82/632625882.db2.gz DPJIUIAVUGYQCS-KOLCDFICSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817414024 632625883 /nfs/dbraw/zinc/62/58/83/632625883.db2.gz DPJIUIAVUGYQCS-KOLCDFICSA-N 1 1 284.743 2.593 20 5 CFBDMO Cc1c(CO[NH+]=C(N)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000848523118 633275469 /nfs/dbraw/zinc/27/54/69/633275469.db2.gz YNBQHFAPQPCKFU-GZMMTYOYSA-N 1 1 263.297 2.558 20 5 CFBDMO Nc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000848786455 633343673 /nfs/dbraw/zinc/34/36/73/633343673.db2.gz QRVBHKOOHXEAEN-OCCSQVGLSA-N 1 1 290.367 2.606 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000853633756 635054640 /nfs/dbraw/zinc/05/46/40/635054640.db2.gz CXPVCFVVEHBOIU-STQMWFEESA-N 1 1 278.356 2.712 20 5 CFBDMO CC[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000853687317 635075397 /nfs/dbraw/zinc/07/53/97/635075397.db2.gz SPZOTVOOAXKZFO-JTQLQIEISA-N 1 1 299.321 2.794 20 5 CFBDMO CCO[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207859 636503180 /nfs/dbraw/zinc/50/31/80/636503180.db2.gz AOPKUPJCZKPIMA-INIZCTEOSA-N 1 1 290.363 2.768 20 5 CFBDMO CCc1[nH+]c(C)cn1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000865393415 638304517 /nfs/dbraw/zinc/30/45/17/638304517.db2.gz UVFMHCCULIBWIM-UHFFFAOYSA-N 1 1 293.298 2.858 20 5 CFBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCC1 ZINC000077443133 650425443 /nfs/dbraw/zinc/42/54/43/650425443.db2.gz RNYYPZILAXKZDW-UHFFFAOYSA-N 1 1 266.345 2.630 20 5 CFBDMO COCc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000865787734 638574306 /nfs/dbraw/zinc/57/43/06/638574306.db2.gz SDUUEQCOLWUKPF-UHFFFAOYSA-N 1 1 290.319 2.932 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000866194042 638767352 /nfs/dbraw/zinc/76/73/52/638767352.db2.gz GDVLDWMQCYVKMZ-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000866194042 638767354 /nfs/dbraw/zinc/76/73/54/638767354.db2.gz GDVLDWMQCYVKMZ-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207718 638770389 /nfs/dbraw/zinc/77/03/89/638770389.db2.gz JDYATYMFMBMXQR-ZYHUDNBSSA-N 1 1 295.770 2.779 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209144 638771401 /nfs/dbraw/zinc/77/14/01/638771401.db2.gz PPSXFMHEMVLYAG-AAEUAGOBSA-N 1 1 293.342 2.573 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019485 641549714 /nfs/dbraw/zinc/54/97/14/641549714.db2.gz YGXILZJAUQGWJE-NEPJUHHUSA-N 1 1 295.358 2.869 20 5 CFBDMO CCN1CCC[C@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019485 641549717 /nfs/dbraw/zinc/54/97/17/641549717.db2.gz YGXILZJAUQGWJE-NEPJUHHUSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039768 641574449 /nfs/dbraw/zinc/57/44/49/641574449.db2.gz GYKVRMZDSPRGMY-VXGBXAGGSA-N 1 1 295.358 2.726 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CCCCCC[NH3+] ZINC000872154915 641676060 /nfs/dbraw/zinc/67/60/60/641676060.db2.gz FEPKFQPUFYTABH-UHFFFAOYSA-N 1 1 295.383 2.554 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872779862 641934050 /nfs/dbraw/zinc/93/40/50/641934050.db2.gz JBJRFNCKFHMDGX-STQMWFEESA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000873060295 641998912 /nfs/dbraw/zinc/99/89/12/641998912.db2.gz HOXQDKBHVXQYRA-JSGCOSHPSA-N 1 1 291.395 2.784 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000876560821 642923283 /nfs/dbraw/zinc/92/32/83/642923283.db2.gz NUOIKFQWKWNTOE-ZDUSSCGKSA-N 1 1 278.352 2.822 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000876560821 642923285 /nfs/dbraw/zinc/92/32/85/642923285.db2.gz NUOIKFQWKWNTOE-ZDUSSCGKSA-N 1 1 278.352 2.822 20 5 CFBDMO CC[C@](C)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876738849 642988269 /nfs/dbraw/zinc/98/82/69/642988269.db2.gz CNCPBJSRWRLZAQ-OAHLLOKOSA-N 1 1 278.352 2.768 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000876762985 643000715 /nfs/dbraw/zinc/00/07/15/643000715.db2.gz AZUVIYTUQWLHMA-UHFFFAOYSA-N 1 1 290.363 2.967 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC2(CCC2)C1 ZINC000876762985 643000725 /nfs/dbraw/zinc/00/07/25/643000725.db2.gz AZUVIYTUQWLHMA-UHFFFAOYSA-N 1 1 290.363 2.967 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000876804935 643015920 /nfs/dbraw/zinc/01/59/20/643015920.db2.gz WKYAPTAGRYUGAL-CZUORRHYSA-N 1 1 292.379 2.804 20 5 CFBDMO COCC1=CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877416454 643264158 /nfs/dbraw/zinc/26/41/58/643264158.db2.gz MYPQLXYHXKBWNT-UHFFFAOYSA-N 1 1 290.363 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000877465429 643285569 /nfs/dbraw/zinc/28/55/69/643285569.db2.gz WYPQZVVQTZYHHW-HDJSIYSDSA-N 1 1 292.379 2.947 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877739174 643502932 /nfs/dbraw/zinc/50/29/32/643502932.db2.gz RRKOYLYSMYNSAF-RYUDHWBXSA-N 1 1 296.367 2.919 20 5 CFBDMO C[N@@H+](CCCOC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000877917566 643640157 /nfs/dbraw/zinc/64/01/57/643640157.db2.gz XYPFBDOVGHORJV-UHFFFAOYSA-N 1 1 292.257 2.953 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000878318533 643837935 /nfs/dbraw/zinc/83/79/35/643837935.db2.gz UCAJCBJQEYZVDL-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879530229 644309259 /nfs/dbraw/zinc/30/92/59/644309259.db2.gz PZHPOXOPXKCGHK-IJEWVQPXSA-N 1 1 288.347 2.526 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619657 644349625 /nfs/dbraw/zinc/34/96/25/644349625.db2.gz YYDCCYIHSUMWDW-NWDGAFQWSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000880132061 644543465 /nfs/dbraw/zinc/54/34/65/644543465.db2.gz MZRYENAEDFGYHO-HZPDHXFCSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132061 644543467 /nfs/dbraw/zinc/54/34/67/644543467.db2.gz MZRYENAEDFGYHO-HZPDHXFCSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132061 644543470 /nfs/dbraw/zinc/54/34/70/644543470.db2.gz MZRYENAEDFGYHO-HZPDHXFCSA-N 1 1 289.379 2.572 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000248369651 650931580 /nfs/dbraw/zinc/93/15/80/650931580.db2.gz WMZKNBSRYNTKOP-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000880185347 644568177 /nfs/dbraw/zinc/56/81/77/644568177.db2.gz NIYXIMDZHHPPQT-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CF)C1 ZINC000880232123 644592563 /nfs/dbraw/zinc/59/25/63/644592563.db2.gz HAKQOVSQMKIBMT-LBPRGKRZSA-N 1 1 282.315 2.655 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880233707 644595453 /nfs/dbraw/zinc/59/54/53/644595453.db2.gz DSRBYOXEFDWHJK-LBPRGKRZSA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452419 650940328 /nfs/dbraw/zinc/94/03/28/650940328.db2.gz ZWGLEMANQZBUNB-OWCLPIDISA-N 1 1 289.379 2.605 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774846 650963138 /nfs/dbraw/zinc/96/31/38/650963138.db2.gz BGBJPSFRDSGRCD-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000882660315 645403683 /nfs/dbraw/zinc/40/36/83/645403683.db2.gz NXVKFPVLHZGVSK-NSHDSACASA-N 1 1 294.330 2.558 20 5 CFBDMO CC(C)CC[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130673980 645546700 /nfs/dbraw/zinc/54/67/00/645546700.db2.gz MQWCZPFVCIEVIU-LBPRGKRZSA-N 1 1 266.345 2.649 20 5 CFBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130786926 645570244 /nfs/dbraw/zinc/57/02/44/645570244.db2.gz ILIVNWQHJIYPDE-YPMHNXCESA-N 1 1 266.345 2.649 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884567863 646456937 /nfs/dbraw/zinc/45/69/37/646456937.db2.gz UIELPAMEPDSJMR-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO Cc1ccccc1C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885931443 646772587 /nfs/dbraw/zinc/77/25/87/646772587.db2.gz VFKKAVUTOJHDHN-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccccc1C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885931443 646772589 /nfs/dbraw/zinc/77/25/89/646772589.db2.gz VFKKAVUTOJHDHN-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885937621 646774571 /nfs/dbraw/zinc/77/45/71/646774571.db2.gz FNANBYAPHHVKNX-HOCLYGCPSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885937621 646774572 /nfs/dbraw/zinc/77/45/72/646774572.db2.gz FNANBYAPHHVKNX-HOCLYGCPSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956593 646783361 /nfs/dbraw/zinc/78/33/61/646783361.db2.gz SWAGWZDXWFEBNJ-JTQLQIEISA-N 1 1 261.325 2.753 20 5 CFBDMO CC(C)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886028775 646828729 /nfs/dbraw/zinc/82/87/29/646828729.db2.gz WPVXZUGWMGBQQL-LBPRGKRZSA-N 1 1 281.381 2.563 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886028775 646828732 /nfs/dbraw/zinc/82/87/32/646828732.db2.gz WPVXZUGWMGBQQL-LBPRGKRZSA-N 1 1 281.381 2.563 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000886084132 646859582 /nfs/dbraw/zinc/85/95/82/646859582.db2.gz QKIUXVXAXKVHKA-UHFFFAOYSA-N 1 1 298.346 2.764 20 5 CFBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886122424 646881319 /nfs/dbraw/zinc/88/13/19/646881319.db2.gz AURPNCFSRQCBRJ-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166989 646904527 /nfs/dbraw/zinc/90/45/27/646904527.db2.gz XNQJMKGWMPNHBY-GRYCIOLGSA-N 1 1 263.341 2.856 20 5 CFBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886175291 646908365 /nfs/dbraw/zinc/90/83/65/646908365.db2.gz WPDPDOKRDVBKOY-OAHLLOKOSA-N 1 1 293.367 2.771 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000886232646 646931862 /nfs/dbraw/zinc/93/18/62/646931862.db2.gz ZWSJRQXHSXBWIT-TXEJJXNPSA-N 1 1 261.325 2.612 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000886270682 646943287 /nfs/dbraw/zinc/94/32/87/646943287.db2.gz KCCMPEAUGCRVFE-AWEZNQCLSA-N 1 1 291.351 2.523 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000886270682 646943288 /nfs/dbraw/zinc/94/32/88/646943288.db2.gz KCCMPEAUGCRVFE-AWEZNQCLSA-N 1 1 291.351 2.523 20 5 CFBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929384330 649042749 /nfs/dbraw/zinc/04/27/49/649042749.db2.gz XOOJEEWIWFAOBB-VIFPVBQESA-N 1 1 276.258 2.975 20 5 CFBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929384330 649042752 /nfs/dbraw/zinc/04/27/52/649042752.db2.gz XOOJEEWIWFAOBB-VIFPVBQESA-N 1 1 276.258 2.975 20 5 CFBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929723987 649107289 /nfs/dbraw/zinc/10/72/89/649107289.db2.gz NGZSSWXGFWFKCB-CQSZACIVSA-N 1 1 250.342 2.525 20 5 CFBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929819797 649129956 /nfs/dbraw/zinc/12/99/56/649129956.db2.gz VYQJRSQFNOOKKD-HNNXBMFYSA-N 1 1 262.353 2.608 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931728641 649480964 /nfs/dbraw/zinc/48/09/64/649480964.db2.gz XSJIQPNDZHUMEI-BJJXKVORSA-N 1 1 289.379 2.824 20 5 CFBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127678 649753246 /nfs/dbraw/zinc/75/32/46/649753246.db2.gz NZMAOOTXPLGFHF-LEWSCRJBSA-N 1 1 264.325 2.765 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000724122878 770797207 /nfs/dbraw/zinc/79/72/07/770797207.db2.gz UWXNEPAYUORBTL-STQMWFEESA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000724122878 770797211 /nfs/dbraw/zinc/79/72/11/770797211.db2.gz UWXNEPAYUORBTL-STQMWFEESA-N 1 1 284.743 2.857 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)nccc1[N+](=O)[O-])C2 ZINC001225431300 775453970 /nfs/dbraw/zinc/45/39/70/775453970.db2.gz OEOJOVCPDYXQJN-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001225436700 775455683 /nfs/dbraw/zinc/45/56/83/775455683.db2.gz YGLGJYURQXSCEG-PJXYFTJBSA-N 1 1 292.335 2.607 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(F)c1[N+](=O)[O-] ZINC001225671271 775550351 /nfs/dbraw/zinc/55/03/51/775550351.db2.gz JIGRRQLZMSVUMG-QHBPRCKVSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225710161 775570090 /nfs/dbraw/zinc/57/00/90/775570090.db2.gz HMHZEONXMAISSX-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC001225803587 775598863 /nfs/dbraw/zinc/59/88/63/775598863.db2.gz FPWYSTDRLOCKNM-CYBMUJFWSA-N 1 1 292.335 2.659 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225913915 775633754 /nfs/dbraw/zinc/63/37/54/775633754.db2.gz YDIAOPMNCLDOJR-NSHDSACASA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006236 775664969 /nfs/dbraw/zinc/66/49/69/775664969.db2.gz AUBGUTGFCCZKLX-JTQLQIEISA-N 1 1 268.288 2.595 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226191850 775733164 /nfs/dbraw/zinc/73/31/64/775733164.db2.gz SUBBLTWMCNTZBK-SECBINFHSA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1ccc(OC2C[NH+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001226950813 776031216 /nfs/dbraw/zinc/03/12/16/776031216.db2.gz OAHJAIBTXOSFDY-UHFFFAOYSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001226968264 776038218 /nfs/dbraw/zinc/03/82/18/776038218.db2.gz FAFXHGYQAQQOLN-ITGUQSILSA-N 1 1 276.336 2.907 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227184369 776127436 /nfs/dbraw/zinc/12/74/36/776127436.db2.gz DSSWEDKLJVROQD-PJXYFTJBSA-N 1 1 292.335 2.607 20 5 CFBDMO C[N@H+]1CCC[C@@H](OCc2ccccc2[N+](=O)[O-])CC1 ZINC001222758926 776294929 /nfs/dbraw/zinc/29/49/29/776294929.db2.gz ASWFJERPKSWMNG-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])cc(F)c1F)C2 ZINC001228026099 776366630 /nfs/dbraw/zinc/36/66/30/776366630.db2.gz YAJNRZIPMJGLEG-DOFRTFSJSA-N 1 1 298.289 2.877 20 5 CFBDMO Cc1cccc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001167786021 776387787 /nfs/dbraw/zinc/38/77/87/776387787.db2.gz FYOLGQCYCIRHAZ-UHFFFAOYSA-N 1 1 272.308 2.801 20 5 CFBDMO COc1cccc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001167786665 776398794 /nfs/dbraw/zinc/39/87/94/776398794.db2.gz VEXPATUBTQXJLG-UHFFFAOYSA-N 1 1 288.307 2.501 20 5 CFBDMO Cc1cc(C)c(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001228238873 776432283 /nfs/dbraw/zinc/43/22/83/776432283.db2.gz XWFYZORIWSBDEX-GFCCVEGCSA-N 1 1 287.319 2.802 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1OC1CC[NH+](CCF)CC1 ZINC001228916135 776656983 /nfs/dbraw/zinc/65/69/83/776656983.db2.gz PWYSJQFMUXPWTF-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C2 ZINC001229119154 776725894 /nfs/dbraw/zinc/72/58/94/776725894.db2.gz LYHLTVMRSIXGQT-UTALDWLFSA-N 1 1 288.347 2.938 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC001229892507 776912987 /nfs/dbraw/zinc/91/29/87/776912987.db2.gz BNAJRTTXEQSUTQ-JTQLQIEISA-N 1 1 291.282 2.633 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@H+](C)C1 ZINC001230724562 777052314 /nfs/dbraw/zinc/05/23/14/777052314.db2.gz XZENNLFFNYALTD-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@H+](C)C1 ZINC001230724564 777052468 /nfs/dbraw/zinc/05/24/68/777052468.db2.gz XZENNLFFNYALTD-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO CC(C)[NH+]1CC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159524 777160243 /nfs/dbraw/zinc/16/02/43/777160243.db2.gz XRAZOKANLRJTNH-UHFFFAOYSA-N 1 1 287.319 2.614 20 5 CFBDMO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712526869 777338500 /nfs/dbraw/zinc/33/85/00/777338500.db2.gz FSRMTTPFSWCWLG-JTQLQIEISA-N 1 1 269.732 2.754 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712526869 777338507 /nfs/dbraw/zinc/33/85/07/777338507.db2.gz FSRMTTPFSWCWLG-JTQLQIEISA-N 1 1 269.732 2.754 20 5 CFBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC001226840432 777669625 /nfs/dbraw/zinc/66/96/25/777669625.db2.gz FBQSBNJNYJPAER-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233717476 778052238 /nfs/dbraw/zinc/05/22/38/778052238.db2.gz WVDDIUMYXILILI-JTQLQIEISA-N 1 1 285.731 2.506 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753580 778063937 /nfs/dbraw/zinc/06/39/37/778063937.db2.gz NCHHRXLNVZXGJG-VIFPVBQESA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765327 778069378 /nfs/dbraw/zinc/06/93/78/778069378.db2.gz UAWUIKUBLAUIIF-VIFPVBQESA-N 1 1 286.278 2.736 20 5 CFBDMO CC[NH+]1CC(Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234089506 778162626 /nfs/dbraw/zinc/16/26/26/778162626.db2.gz IUOLGKHUKUJIFJ-UHFFFAOYSA-N 1 1 279.343 2.866 20 5 CFBDMO CC(C)(C)[NH+]1CC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229120033 778267109 /nfs/dbraw/zinc/26/71/09/778267109.db2.gz UZIYUCKWASWVNA-CMDGGOBGSA-N 1 1 276.336 2.796 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674040 778285387 /nfs/dbraw/zinc/28/53/87/778285387.db2.gz HLGHMGSEERSDMG-NSHDSACASA-N 1 1 287.319 2.616 20 5 CFBDMO CC(C)[NH+]1CC(Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001168313746 778424403 /nfs/dbraw/zinc/42/44/03/778424403.db2.gz CUPWJQXZGSTUIH-UHFFFAOYSA-N 1 1 286.335 2.648 20 5 CFBDMO CC[N+](C)(C)Cc1ccccc1NC1CN(C(C)C)C1 ZINC001168316344 778429159 /nfs/dbraw/zinc/42/91/59/778429159.db2.gz XBBSGESWLPXZLU-UHFFFAOYSA-N 1 1 276.448 2.787 20 5 CFBDMO Cc1cc([N+](=O)[O-])cc(NC2C[NH+](C(C)C)C2)c1F ZINC001168317665 778429367 /nfs/dbraw/zinc/42/93/67/778429367.db2.gz RCGJZSFKQPLXSP-UHFFFAOYSA-N 1 1 267.304 2.547 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159445084 778568083 /nfs/dbraw/zinc/56/80/83/778568083.db2.gz MSJFIDIKWHZZHH-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000706402934 781175380 /nfs/dbraw/zinc/17/53/80/781175380.db2.gz OOUOCKPLRWNXMM-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)cc1F ZINC000711477913 781441309 /nfs/dbraw/zinc/44/13/09/781441309.db2.gz SQYSKWRHLRWRKJ-SNVBAGLBSA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1F ZINC000711633322 781461018 /nfs/dbraw/zinc/46/10/18/781461018.db2.gz KQZGUPBPANDZOA-PHIMTYICSA-N 1 1 282.340 2.529 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NCCCC[N@@H+](C)C1CC1 ZINC000594584546 349451829 /nfs/dbraw/zinc/45/18/29/349451829.db2.gz VJIUZTIEKCAEDP-UHFFFAOYSA-N 1 1 293.367 2.890 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594614385 349463961 /nfs/dbraw/zinc/46/39/61/349463961.db2.gz GKPVKXLNIGUZGG-YQCJOKCJSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594935476 349517638 /nfs/dbraw/zinc/51/76/38/349517638.db2.gz PUOPTAWTYOVUAB-NSHDSACASA-N 1 1 286.335 2.588 20 5 CFBDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125312719 187179178 /nfs/dbraw/zinc/17/91/78/187179178.db2.gz QQFOFQPWNLPXBF-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595325849 349602222 /nfs/dbraw/zinc/60/22/22/349602222.db2.gz YFRUJUJQXAJAJU-SECBINFHSA-N 1 1 253.302 2.656 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595325850 349602334 /nfs/dbraw/zinc/60/23/34/349602334.db2.gz YFRUJUJQXAJAJU-VIFPVBQESA-N 1 1 253.302 2.656 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328371 349602547 /nfs/dbraw/zinc/60/25/47/349602547.db2.gz ITDDPXQKHICNAL-DZGCQCFKSA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595325414 349602552 /nfs/dbraw/zinc/60/25/52/349602552.db2.gz HUAJXNVPVVEVLL-MNOVXSKESA-N 1 1 265.313 2.656 20 5 CFBDMO CC[C@@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330803 349603228 /nfs/dbraw/zinc/60/32/28/349603228.db2.gz PCVGQMPAAGJZQJ-ZDUSSCGKSA-N 1 1 267.329 2.903 20 5 CFBDMO CC[C@@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330803 349603231 /nfs/dbraw/zinc/60/32/31/349603231.db2.gz PCVGQMPAAGJZQJ-ZDUSSCGKSA-N 1 1 267.329 2.903 20 5 CFBDMO CCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595290001 349592412 /nfs/dbraw/zinc/59/24/12/349592412.db2.gz IPPKXXRDISZQKD-UHFFFAOYSA-N 1 1 253.302 2.656 20 5 CFBDMO CCCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595290001 349592414 /nfs/dbraw/zinc/59/24/14/349592414.db2.gz IPPKXXRDISZQKD-UHFFFAOYSA-N 1 1 253.302 2.656 20 5 CFBDMO Cc1noc(C[N@H+](C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595295785 349595051 /nfs/dbraw/zinc/59/50/51/349595051.db2.gz RRIWVPLYILSVPJ-UHFFFAOYSA-N 1 1 293.298 2.705 20 5 CFBDMO Cc1noc(C[N@@H+](C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595295785 349595054 /nfs/dbraw/zinc/59/50/54/349595054.db2.gz RRIWVPLYILSVPJ-UHFFFAOYSA-N 1 1 293.298 2.705 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595348297 349608593 /nfs/dbraw/zinc/60/85/93/349608593.db2.gz QTQQYPPQMMQPSR-BXUZGUMPSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595340054 349605249 /nfs/dbraw/zinc/60/52/49/349605249.db2.gz UQWLPPMDFNDUAM-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO CCc1nocc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595422292 349620514 /nfs/dbraw/zinc/62/05/14/349620514.db2.gz KWSDJIHCNBSVHU-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000595428114 349623383 /nfs/dbraw/zinc/62/33/83/349623383.db2.gz LZRLGAZEIDJTPB-SWLSCSKDSA-N 1 1 296.342 2.717 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458053 349632445 /nfs/dbraw/zinc/63/24/45/349632445.db2.gz HVNHAIVTQGTOTI-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458053 349632447 /nfs/dbraw/zinc/63/24/47/349632447.db2.gz HVNHAIVTQGTOTI-HZMBPMFUSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595456784 349632898 /nfs/dbraw/zinc/63/28/98/349632898.db2.gz GFGWTOHOHCCTOT-YWVKMMECSA-N 1 1 267.329 2.758 20 5 CFBDMO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000595462433 349634885 /nfs/dbraw/zinc/63/48/85/349634885.db2.gz UBMKDBZHPHGKSX-CMPLNLGQSA-N 1 1 297.355 2.528 20 5 CFBDMO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000595462433 349634888 /nfs/dbraw/zinc/63/48/88/349634888.db2.gz UBMKDBZHPHGKSX-CMPLNLGQSA-N 1 1 297.355 2.528 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466056 349636150 /nfs/dbraw/zinc/63/61/50/349636150.db2.gz OWUKKJLQSPQKAJ-QMMMGPOBSA-N 1 1 293.245 2.666 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466056 349636152 /nfs/dbraw/zinc/63/61/52/349636152.db2.gz OWUKKJLQSPQKAJ-QMMMGPOBSA-N 1 1 293.245 2.666 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470127 349636765 /nfs/dbraw/zinc/63/67/65/349636765.db2.gz MSMRFBQZBMRFOP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470127 349636768 /nfs/dbraw/zinc/63/67/68/349636768.db2.gz MSMRFBQZBMRFOP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000595473736 349637563 /nfs/dbraw/zinc/63/75/63/349637563.db2.gz BGOZTBLLEFQUQC-DZGCQCFKSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)co1 ZINC000595474098 349637727 /nfs/dbraw/zinc/63/77/27/349637727.db2.gz DALNJMNKGHNYIX-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)co1 ZINC000595474098 349637729 /nfs/dbraw/zinc/63/77/29/349637729.db2.gz DALNJMNKGHNYIX-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595488680 349640728 /nfs/dbraw/zinc/64/07/28/349640728.db2.gz IFZUEZGPDVCVSI-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000595522508 349649741 /nfs/dbraw/zinc/64/97/41/349649741.db2.gz KUTNKOQKGZDCIK-CYBMUJFWSA-N 1 1 297.380 2.610 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000595522508 349649743 /nfs/dbraw/zinc/64/97/43/349649743.db2.gz KUTNKOQKGZDCIK-CYBMUJFWSA-N 1 1 297.380 2.610 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(C)(C)[NH3+] ZINC000423289319 529418114 /nfs/dbraw/zinc/41/81/14/529418114.db2.gz WTGZGPSYZJGRQL-LLVKDONJSA-N 1 1 297.424 2.792 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595522827 349650208 /nfs/dbraw/zinc/65/02/08/349650208.db2.gz OJJPOJXSWGKYPH-CQSZACIVSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595499308 349642809 /nfs/dbraw/zinc/64/28/09/349642809.db2.gz XHNNIDMWRISPNC-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000595528851 349652241 /nfs/dbraw/zinc/65/22/41/349652241.db2.gz UJHJHORYYNXPIS-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO COCCCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595553104 349657395 /nfs/dbraw/zinc/65/73/95/349657395.db2.gz VQSUSYHVNAXRED-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](C3CC3)C2)ccc2ncccc21 ZINC000069287110 346887258 /nfs/dbraw/zinc/88/72/58/346887258.db2.gz RXEMAJOUIGKLFC-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595593486 349667821 /nfs/dbraw/zinc/66/78/21/349667821.db2.gz QKYADLWNXUUDCW-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670681 349696239 /nfs/dbraw/zinc/69/62/39/349696239.db2.gz IFPCCFIVJYJFNP-OCCSQVGLSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595675039 349697322 /nfs/dbraw/zinc/69/73/22/349697322.db2.gz NCZPFKQSOCMONI-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595675039 349697324 /nfs/dbraw/zinc/69/73/24/349697324.db2.gz NCZPFKQSOCMONI-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678659 349697814 /nfs/dbraw/zinc/69/78/14/349697814.db2.gz SIQLMVYWDGHIBV-SWLSCSKDSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595749096 349722781 /nfs/dbraw/zinc/72/27/81/349722781.db2.gz DLBUEBCLPSQMBM-BLLLJJGKSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595706941 349712549 /nfs/dbraw/zinc/71/25/49/349712549.db2.gz ZECMEZGIRNBDLV-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756942 349725382 /nfs/dbraw/zinc/72/53/82/349725382.db2.gz HUWJVQHHSYIPIT-UXIGCNINSA-N 1 1 276.336 2.624 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595764556 349726977 /nfs/dbraw/zinc/72/69/77/349726977.db2.gz BJDZVYORNVUHTP-TVQRCGJNSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595764555 349727436 /nfs/dbraw/zinc/72/74/36/349727436.db2.gz BJDZVYORNVUHTP-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835050 349747510 /nfs/dbraw/zinc/74/75/10/349747510.db2.gz UIWJOFUDXVFBGO-VXGBXAGGSA-N 1 1 296.754 2.717 20 5 CFBDMO COc1cc(NC[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596112252 349796991 /nfs/dbraw/zinc/79/69/91/349796991.db2.gz LDMLHPXFEOVFHL-VIFPVBQESA-N 1 1 299.758 2.620 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169186 349816122 /nfs/dbraw/zinc/81/61/22/349816122.db2.gz SCVGALNUMNAWFF-RYUDHWBXSA-N 1 1 295.408 2.885 20 5 CFBDMO CC[N@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268560 349848127 /nfs/dbraw/zinc/84/81/27/349848127.db2.gz JWYONAOTVZSHJN-ZDUSSCGKSA-N 1 1 277.368 2.824 20 5 CFBDMO Cc1ccnc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596309338 349859000 /nfs/dbraw/zinc/85/90/00/349859000.db2.gz YZRLAXLZCMMVMK-LBPRGKRZSA-N 1 1 292.383 2.831 20 5 CFBDMO COc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307374 349857769 /nfs/dbraw/zinc/85/77/69/349857769.db2.gz LKHAJEGKESVSGV-LBPRGKRZSA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596336674 349868731 /nfs/dbraw/zinc/86/87/31/349868731.db2.gz RLJLVPMAXSAQQW-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000596477840 349913924 /nfs/dbraw/zinc/91/39/24/349913924.db2.gz KWIMMGSGYXOYPC-CYBMUJFWSA-N 1 1 290.367 2.809 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000413450792 530060791 /nfs/dbraw/zinc/06/07/91/530060791.db2.gz ZBQXIWSOPZIGJB-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000596570389 349944799 /nfs/dbraw/zinc/94/47/99/349944799.db2.gz JNNKNLRWYIVTGE-ZDUSSCGKSA-N 1 1 290.367 2.524 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026159220 346264172 /nfs/dbraw/zinc/26/41/72/346264172.db2.gz FZTOWACTRSUDIW-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000044713798 346398037 /nfs/dbraw/zinc/39/80/37/346398037.db2.gz KMCXZDWURBMLHD-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046092591 346419586 /nfs/dbraw/zinc/41/95/86/346419586.db2.gz ZMCUDDRWTHMKKM-CYBMUJFWSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000046091871 346420109 /nfs/dbraw/zinc/42/01/09/346420109.db2.gz ZNUMOXUFMSHIME-LBPRGKRZSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479147 346427186 /nfs/dbraw/zinc/42/71/86/346427186.db2.gz RSRKMJNYQMMBQN-RWMBFGLXSA-N 1 1 293.367 2.504 20 5 CFBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479147 346427189 /nfs/dbraw/zinc/42/71/89/346427189.db2.gz RSRKMJNYQMMBQN-RWMBFGLXSA-N 1 1 293.367 2.504 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596654410 349969314 /nfs/dbraw/zinc/96/93/14/349969314.db2.gz OHYFPCLFZFVYRH-SMDDNHRTSA-N 1 1 265.357 2.619 20 5 CFBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052560700 346524720 /nfs/dbraw/zinc/52/47/20/346524720.db2.gz YERFALWWAYZZJR-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052560700 346524725 /nfs/dbraw/zinc/52/47/25/346524725.db2.gz YERFALWWAYZZJR-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000055919725 346598944 /nfs/dbraw/zinc/59/89/44/346598944.db2.gz MFZPSRSRYFVSMY-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO CCCCOCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000056283600 346605567 /nfs/dbraw/zinc/60/55/67/346605567.db2.gz HHAJBCQVILKIKY-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO CCCCOCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000056283600 346605570 /nfs/dbraw/zinc/60/55/70/346605570.db2.gz HHAJBCQVILKIKY-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO C[C@@H]1C[N@H+](CCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000063257619 346698258 /nfs/dbraw/zinc/69/82/58/346698258.db2.gz INHHYKFIXLCKNH-PHIMTYICSA-N 1 1 299.396 2.568 20 5 CFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810450 346780328 /nfs/dbraw/zinc/78/03/28/346780328.db2.gz WXZPYDGBICBQHN-FRRDWIJNSA-N 1 1 292.383 2.768 20 5 CFBDMO COc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1[N+](=O)[O-] ZINC000075895284 347107537 /nfs/dbraw/zinc/10/75/37/347107537.db2.gz PCHOXWGBHSJKDZ-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000076113864 347123154 /nfs/dbraw/zinc/12/31/54/347123154.db2.gz HOSOBOWJRJIVJC-PHIMTYICSA-N 1 1 264.325 2.691 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCC[C@H](C)C1 ZINC000076751510 347151240 /nfs/dbraw/zinc/15/12/40/347151240.db2.gz JLDKSDQZSWPPNC-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076800540 347155154 /nfs/dbraw/zinc/15/51/54/347155154.db2.gz MZJXTXFTKOVSDT-BETUJISGSA-N 1 1 292.383 2.770 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000077382643 347190346 /nfs/dbraw/zinc/19/03/46/347190346.db2.gz FUUHHMYJTLXGRS-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC1(C)C ZINC000077382643 347190349 /nfs/dbraw/zinc/19/03/49/347190349.db2.gz FUUHHMYJTLXGRS-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO Cc1cnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660447 347268168 /nfs/dbraw/zinc/26/81/68/347268168.db2.gz USXHNJIHSCXBBD-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000091484278 347590405 /nfs/dbraw/zinc/59/04/05/347590405.db2.gz LPKFKKJKCDVSEQ-IUODEOHRSA-N 1 1 277.368 2.761 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000092582303 347633032 /nfs/dbraw/zinc/63/30/32/347633032.db2.gz RWVFSYZSJBRTCJ-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623456 347635044 /nfs/dbraw/zinc/63/50/44/347635044.db2.gz JBODVWXCXHSDMI-UHFFFAOYSA-N 1 1 289.282 2.560 20 5 CFBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685988 347640661 /nfs/dbraw/zinc/64/06/61/347640661.db2.gz WJKYPJAQKUAMHU-CJNGLKHVSA-N 1 1 289.379 2.824 20 5 CFBDMO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000092856062 347648841 /nfs/dbraw/zinc/64/88/41/347648841.db2.gz YZCACIGCTJNCOY-NSHDSACASA-N 1 1 288.351 2.742 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093503548 347678426 /nfs/dbraw/zinc/67/84/26/347678426.db2.gz AYIQAYNZLLNHMT-PHIMTYICSA-N 1 1 294.351 2.700 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603666 347816602 /nfs/dbraw/zinc/81/66/02/347816602.db2.gz SRPXISZKRDQJFQ-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603666 347816604 /nfs/dbraw/zinc/81/66/04/347816604.db2.gz SRPXISZKRDQJFQ-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000169244343 348050907 /nfs/dbraw/zinc/05/09/07/348050907.db2.gz RWPBBKSCRGFFQI-INIZCTEOSA-N 1 1 286.331 2.592 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000223224493 348174415 /nfs/dbraw/zinc/17/44/15/348174415.db2.gz MHCUYRJFFGMMJT-SNVBAGLBSA-N 1 1 297.330 2.639 20 5 CFBDMO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(C)[nH+]1 ZINC000231869202 348208870 /nfs/dbraw/zinc/20/88/70/348208870.db2.gz KERXMOSBQSMGON-UHFFFAOYSA-N 1 1 272.308 2.922 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305850068 348383125 /nfs/dbraw/zinc/38/31/25/348383125.db2.gz UQEXRALXYDOHME-IAQYHMDHSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293206736 348361928 /nfs/dbraw/zinc/36/19/28/348361928.db2.gz RAMXAAWSNNJLFS-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311618680 348413574 /nfs/dbraw/zinc/41/35/74/348413574.db2.gz RZHSXELTTVYASV-SECBINFHSA-N 1 1 284.747 2.539 20 5 CFBDMO Cc1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000312355978 348418050 /nfs/dbraw/zinc/41/80/50/348418050.db2.gz ADDGTBXDRAOBTG-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328190780 348440695 /nfs/dbraw/zinc/44/06/95/348440695.db2.gz PIMJMECDMXWNQD-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000452109067 535075303 /nfs/dbraw/zinc/07/53/03/535075303.db2.gz XDRLVVLSDCTORW-UHFFFAOYSA-N 1 1 280.372 2.690 20 5 CFBDMO C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404414435 348591655 /nfs/dbraw/zinc/59/16/55/348591655.db2.gz FIDVPGMXFVWUHJ-DOMZBBRYSA-N 1 1 277.368 2.544 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000138903889 539655910 /nfs/dbraw/zinc/65/59/10/539655910.db2.gz JHJAGCSWOBAQJU-NXEZZACHSA-N 1 1 260.297 2.730 20 5 CFBDMO C[C@H](SC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589960 348681562 /nfs/dbraw/zinc/68/15/62/348681562.db2.gz CXYIIZUHWUQYIT-SMDDNHRTSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@H](SC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589960 348681567 /nfs/dbraw/zinc/68/15/67/348681567.db2.gz CXYIIZUHWUQYIT-SMDDNHRTSA-N 1 1 296.392 2.720 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCc2c[nH+]cn2C1 ZINC000588067671 348770002 /nfs/dbraw/zinc/77/00/02/348770002.db2.gz IGGXSWPPOAKZTA-JTQLQIEISA-N 1 1 292.726 2.872 20 5 CFBDMO CC[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000586771417 348750385 /nfs/dbraw/zinc/75/03/85/348750385.db2.gz XCBDAOMAMMTLOO-CYBMUJFWSA-N 1 1 286.278 2.532 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000589198187 348818716 /nfs/dbraw/zinc/81/87/16/348818716.db2.gz PVMJKHZYRUCYKH-RCLKMUNOSA-N 1 1 290.363 2.701 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000589497390 348835763 /nfs/dbraw/zinc/83/57/63/348835763.db2.gz RUXUSXAKJUYROD-UHFFFAOYSA-N 1 1 294.351 2.859 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496279 348836049 /nfs/dbraw/zinc/83/60/49/348836049.db2.gz FJXOXJLPKOJFPT-SNVBAGLBSA-N 1 1 280.324 2.612 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589601277 348842010 /nfs/dbraw/zinc/84/20/10/348842010.db2.gz DOXULWHQJWTXHY-VIFPVBQESA-N 1 1 257.359 2.797 20 5 CFBDMO C[N@@H+]1CC=C(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273953311 192376458 /nfs/dbraw/zinc/37/64/58/192376458.db2.gz NCYISCPIRHVLQK-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CC3)C2)c(F)c1 ZINC000589736856 348854149 /nfs/dbraw/zinc/85/41/49/348854149.db2.gz SXZWYLGBNSFPFT-UHFFFAOYSA-N 1 1 250.273 2.576 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000590969295 348974621 /nfs/dbraw/zinc/97/46/21/348974621.db2.gz MAXCDIBPGZQABQ-UHFFFAOYSA-N 1 1 264.300 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000591505405 349027546 /nfs/dbraw/zinc/02/75/46/349027546.db2.gz CTEPWYQBZFSGDN-HNNXBMFYSA-N 1 1 290.363 2.783 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592133949 349088654 /nfs/dbraw/zinc/08/86/54/349088654.db2.gz CXJLFDFDUMOSQN-LLVKDONJSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592133949 349088656 /nfs/dbraw/zinc/08/86/56/349088656.db2.gz CXJLFDFDUMOSQN-LLVKDONJSA-N 1 1 282.315 2.733 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592199598 349098869 /nfs/dbraw/zinc/09/88/69/349098869.db2.gz SBRUQSPZOSGLDT-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CC(C)Cn1nccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000592362840 349109763 /nfs/dbraw/zinc/10/97/63/349109763.db2.gz PFJNJVOXELEILV-UHFFFAOYSA-N 1 1 288.351 2.737 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116055 349213096 /nfs/dbraw/zinc/21/30/96/349213096.db2.gz KWZOZGQZNQELRY-CYBMUJFWSA-N 1 1 298.289 2.705 20 5 CFBDMO C[C@@H](CO)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593082852 349204666 /nfs/dbraw/zinc/20/46/66/349204666.db2.gz IROXNKKHEFJPBT-NSHDSACASA-N 1 1 296.342 2.574 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNCc1ccccc1[N+](=O)[O-] ZINC000593644939 349302891 /nfs/dbraw/zinc/30/28/91/349302891.db2.gz FNOUEASNPQIRFR-UHFFFAOYSA-N 1 1 279.384 2.662 20 5 CFBDMO Cc1cnc(NCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593479834 349278718 /nfs/dbraw/zinc/27/87/18/349278718.db2.gz JVPXEHVDGWSXQH-UHFFFAOYSA-N 1 1 280.372 2.688 20 5 CFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+](C)CC(C)C ZINC000593479392 349279020 /nfs/dbraw/zinc/27/90/20/349279020.db2.gz CSCZWKLRKVHBPS-UHFFFAOYSA-N 1 1 297.403 2.509 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCOC1 ZINC000593674573 349308351 /nfs/dbraw/zinc/30/83/51/349308351.db2.gz YRBGMQUPHZTUAR-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000594066300 349368019 /nfs/dbraw/zinc/36/80/19/349368019.db2.gz VCSDOPNDARQLBP-VIFPVBQESA-N 1 1 284.743 2.593 20 5 CFBDMO COc1ncccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495450 349430488 /nfs/dbraw/zinc/43/04/88/349430488.db2.gz YEGVHQGWBCUVBN-AWEZNQCLSA-N 1 1 299.330 2.776 20 5 CFBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCCc2n[nH]cc2C1 ZINC000597258043 350074464 /nfs/dbraw/zinc/07/44/64/350074464.db2.gz KLZKUURPYGVTET-UTCJRWHESA-N 1 1 298.346 2.780 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1c[nH]cn1 ZINC000597171637 350043039 /nfs/dbraw/zinc/04/30/39/350043039.db2.gz YBEZSDBEZVMMIH-WUXMJOGZSA-N 1 1 286.335 2.853 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1c[nH]cn1 ZINC000597171637 350043042 /nfs/dbraw/zinc/04/30/42/350043042.db2.gz YBEZSDBEZVMMIH-WUXMJOGZSA-N 1 1 286.335 2.853 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000597180443 350046529 /nfs/dbraw/zinc/04/65/29/350046529.db2.gz RPGBFTHGLXAYEX-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000597180443 350046531 /nfs/dbraw/zinc/04/65/31/350046531.db2.gz RPGBFTHGLXAYEX-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO COCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104678767 186014522 /nfs/dbraw/zinc/01/45/22/186014522.db2.gz NDXFMTIEFMSKII-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000104688498 186013777 /nfs/dbraw/zinc/01/37/77/186013777.db2.gz XNMALSQAHBTYDB-LLVKDONJSA-N 1 1 252.314 2.704 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091772437 180249382 /nfs/dbraw/zinc/24/93/82/180249382.db2.gz NAZLSBJSHLGXLR-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](N)c1ccccc1 ZINC000414828024 233369271 /nfs/dbraw/zinc/36/92/71/233369271.db2.gz IGAPIZMRWGLJMD-INIZCTEOSA-N 1 1 285.347 2.693 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647559 350301067 /nfs/dbraw/zinc/30/10/67/350301067.db2.gz OTZGBJSBBGDBHC-FPMFFAJLSA-N 1 1 292.379 2.915 20 5 CFBDMO C[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978464 350353371 /nfs/dbraw/zinc/35/33/71/350353371.db2.gz UHUHMTLPBGHLJH-AWEZNQCLSA-N 1 1 291.395 2.600 20 5 CFBDMO CN1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978464 350353374 /nfs/dbraw/zinc/35/33/74/350353374.db2.gz UHUHMTLPBGHLJH-AWEZNQCLSA-N 1 1 291.395 2.600 20 5 CFBDMO Cc1ncccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598995943 350356796 /nfs/dbraw/zinc/35/67/96/350356796.db2.gz LNEQZVBXNABGMG-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO C[N@@H+]1CC=C(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599066486 350368908 /nfs/dbraw/zinc/36/89/08/350368908.db2.gz PTXXEFPYOIMIBB-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO CCC(O)(CC)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000599672553 350477164 /nfs/dbraw/zinc/47/71/64/350477164.db2.gz FXOJGKBMXYZFTJ-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000599672553 350477166 /nfs/dbraw/zinc/47/71/66/350477166.db2.gz FXOJGKBMXYZFTJ-UHFFFAOYSA-N 1 1 284.331 2.717 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000599673951 350478883 /nfs/dbraw/zinc/47/88/83/350478883.db2.gz WSIQYMCCXYVXGC-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000109333702 186248661 /nfs/dbraw/zinc/24/86/61/186248661.db2.gz HQQYXELWCZEBEN-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO CCC[C@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116247 350672464 /nfs/dbraw/zinc/67/24/64/350672464.db2.gz JGDOOWFRUVEIAF-HNNXBMFYSA-N 1 1 289.335 2.528 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000601223477 350702279 /nfs/dbraw/zinc/70/22/79/350702279.db2.gz CONDEFLDENQLGH-IQMDTDKHSA-N 1 1 287.319 2.543 20 5 CFBDMO C[C@H]1CSC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601165757 350685722 /nfs/dbraw/zinc/68/57/22/350685722.db2.gz URCJGNZRGJLQNU-XPTSAGLGSA-N 1 1 289.360 2.728 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](F)C3)c2c1 ZINC000601171845 350687963 /nfs/dbraw/zinc/68/79/63/350687963.db2.gz RIOQDGODOKDAMG-SECBINFHSA-N 1 1 261.256 2.691 20 5 CFBDMO C[C@@H]1CC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)O1 ZINC000601173238 350688932 /nfs/dbraw/zinc/68/89/32/350688932.db2.gz TUTNFCZWHPZDTC-ZYHUDNBSSA-N 1 1 287.319 2.544 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000601195737 350694474 /nfs/dbraw/zinc/69/44/74/350694474.db2.gz BCUYCBIJRXFBOQ-NWDGAFQWSA-N 1 1 299.330 2.616 20 5 CFBDMO CN(CC1(C)COC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601201091 350695805 /nfs/dbraw/zinc/69/58/05/350695805.db2.gz KXVVVGRSIDABCX-UHFFFAOYSA-N 1 1 287.319 2.616 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])n1 ZINC000602469782 350893597 /nfs/dbraw/zinc/89/35/97/350893597.db2.gz DTQAMABDRNJOSC-OAHLLOKOSA-N 1 1 290.367 2.651 20 5 CFBDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475388 350897174 /nfs/dbraw/zinc/89/71/74/350897174.db2.gz VQEKFBXZGYIKFO-AWEZNQCLSA-N 1 1 280.372 2.731 20 5 CFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCF ZINC000602645518 350960161 /nfs/dbraw/zinc/96/01/61/350960161.db2.gz JNTPSZNMVRPKCA-UHFFFAOYSA-N 1 1 266.194 2.673 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccns1 ZINC000602651050 350961698 /nfs/dbraw/zinc/96/16/98/350961698.db2.gz OSUKMAOXGYIJNH-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]3C3CC3)nc2c1 ZINC000602681948 350976880 /nfs/dbraw/zinc/97/68/80/350976880.db2.gz XQNTWCLRMYDZHX-LBPRGKRZSA-N 1 1 273.292 2.720 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]3C3CC3)nc2c1 ZINC000602681948 350976882 /nfs/dbraw/zinc/97/68/82/350976882.db2.gz XQNTWCLRMYDZHX-LBPRGKRZSA-N 1 1 273.292 2.720 20 5 CFBDMO Cn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602707858 350991029 /nfs/dbraw/zinc/99/10/29/350991029.db2.gz JYARJWDTFFNAHJ-ZDUSSCGKSA-N 1 1 292.383 2.731 20 5 CFBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731828 351005046 /nfs/dbraw/zinc/00/50/46/351005046.db2.gz YECSDFDSYGTCLA-VSQXVHSFSA-N 1 1 278.356 2.507 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000602773149 351020346 /nfs/dbraw/zinc/02/03/46/351020346.db2.gz RBWJHIINCVIIAF-GFCCVEGCSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000602781246 351023589 /nfs/dbraw/zinc/02/35/89/351023589.db2.gz IRNJLGRAFPICSN-LLVKDONJSA-N 1 1 286.335 2.677 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2[C@H]1C ZINC000602781246 351023592 /nfs/dbraw/zinc/02/35/92/351023592.db2.gz IRNJLGRAFPICSN-LLVKDONJSA-N 1 1 286.335 2.677 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000602785226 351024885 /nfs/dbraw/zinc/02/48/85/351024885.db2.gz SNYQUQUASJZOPU-KWCYVHTRSA-N 1 1 292.383 2.753 20 5 CFBDMO C[C@@H]1OCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796777 351029359 /nfs/dbraw/zinc/02/93/59/351029359.db2.gz FTFNBHHPAYFPST-JSGCOSHPSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602836457 351040650 /nfs/dbraw/zinc/04/06/50/351040650.db2.gz FBZUZEWSDKSDQF-WCQYABFASA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000602839315 351041817 /nfs/dbraw/zinc/04/18/17/351041817.db2.gz YDBGBWNBQCFBKQ-ZDUSSCGKSA-N 1 1 294.399 2.858 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602883069 351057304 /nfs/dbraw/zinc/05/73/04/351057304.db2.gz VYUQDHXYWCWUJV-CYBMUJFWSA-N 1 1 272.308 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602883069 351057307 /nfs/dbraw/zinc/05/73/07/351057307.db2.gz VYUQDHXYWCWUJV-CYBMUJFWSA-N 1 1 272.308 2.655 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602743618 351011910 /nfs/dbraw/zinc/01/19/10/351011910.db2.gz VTRIZUUJVKZFOA-ZDUSSCGKSA-N 1 1 292.383 2.731 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000604409246 351211356 /nfs/dbraw/zinc/21/13/56/351211356.db2.gz IIETXWHBKJCUQV-VHSXEESVSA-N 1 1 267.354 2.695 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609540590 351505963 /nfs/dbraw/zinc/50/59/63/351505963.db2.gz IXWLARQKSRIDOS-LBPRGKRZSA-N 1 1 266.341 2.952 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609560715 351507240 /nfs/dbraw/zinc/50/72/40/351507240.db2.gz ZZQLMOLYBMJUFV-JTQLQIEISA-N 1 1 269.370 2.799 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000609570981 351508042 /nfs/dbraw/zinc/50/80/42/351508042.db2.gz HFXZACDUDXAQSU-UHFFFAOYSA-N 1 1 257.359 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000608982475 351483035 /nfs/dbraw/zinc/48/30/35/351483035.db2.gz LKTGVMOGIGIEDJ-UHFFFAOYSA-N 1 1 282.303 2.761 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000609222582 351491961 /nfs/dbraw/zinc/49/19/61/351491961.db2.gz RZXAGNOYDPZLDP-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133300 351535948 /nfs/dbraw/zinc/53/59/48/351535948.db2.gz BOSMICVGOUJZAO-VXGBXAGGSA-N 1 1 264.325 2.704 20 5 CFBDMO CCC(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295158829 199378399 /nfs/dbraw/zinc/37/83/99/199378399.db2.gz GJTHFOPIHWJBFS-UHFFFAOYSA-N 1 1 278.352 2.828 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000610282717 351549146 /nfs/dbraw/zinc/54/91/46/351549146.db2.gz JLNIXPALMCKOOL-LLVKDONJSA-N 1 1 283.397 2.967 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000610476233 351568991 /nfs/dbraw/zinc/56/89/91/351568991.db2.gz JWGLZWMDDWBUTR-UHFFFAOYSA-N 1 1 292.383 2.873 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]21 ZINC000610808062 351610292 /nfs/dbraw/zinc/61/02/92/351610292.db2.gz ZRIWBYQBINEWAN-QWRGUYRKSA-N 1 1 281.381 2.577 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000611084795 351638948 /nfs/dbraw/zinc/63/89/48/351638948.db2.gz UEVMMKBOQQFFDD-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179551 351648615 /nfs/dbraw/zinc/64/86/15/351648615.db2.gz DWWSAPMELWZBAC-JTQLQIEISA-N 1 1 286.278 2.561 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000611180790 351649509 /nfs/dbraw/zinc/64/95/09/351649509.db2.gz RWYPCRWGLUQIHE-UHFFFAOYSA-N 1 1 298.289 2.705 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCOC2)C2CC2)cc1 ZINC000611211331 351652590 /nfs/dbraw/zinc/65/25/90/351652590.db2.gz SPJIMRPZSPTZCT-CQSZACIVSA-N 1 1 290.363 2.986 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254879 351659060 /nfs/dbraw/zinc/65/90/60/351659060.db2.gz WEOGKZLRGTWPMS-LLVKDONJSA-N 1 1 294.351 2.986 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611255567 351659137 /nfs/dbraw/zinc/65/91/37/351659137.db2.gz XBNFCJXAOCIBRQ-SNVBAGLBSA-N 1 1 292.335 2.596 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCOC(C)(C)C ZINC000610859807 351615672 /nfs/dbraw/zinc/61/56/72/351615672.db2.gz MXRLKTZRIGWDTM-UHFFFAOYSA-N 1 1 296.367 2.721 20 5 CFBDMO Cc1c(C[N@@H+]2CCCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610990753 351628402 /nfs/dbraw/zinc/62/84/02/351628402.db2.gz MAOQCVQAPAYZJF-NSHDSACASA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCOC1 ZINC000612577296 351837904 /nfs/dbraw/zinc/83/79/04/351837904.db2.gz NGEOMTVSRDULSB-ZDUSSCGKSA-N 1 1 278.352 2.762 20 5 CFBDMO CC(C)(C)OCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469106 351824811 /nfs/dbraw/zinc/82/48/11/351824811.db2.gz PPLZLFJKOCQCOQ-UHFFFAOYSA-N 1 1 293.367 2.553 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000123303968 187083912 /nfs/dbraw/zinc/08/39/12/187083912.db2.gz JTMANHBMLYFYSI-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000123308497 187084545 /nfs/dbraw/zinc/08/45/45/187084545.db2.gz PTGTUQUOLINIHR-TXEJJXNPSA-N 1 1 264.325 2.846 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123342219 187086312 /nfs/dbraw/zinc/08/63/12/187086312.db2.gz QDUKZFUGKQXTJS-DOMZBBRYSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342219 187086313 /nfs/dbraw/zinc/08/63/13/187086313.db2.gz QDUKZFUGKQXTJS-DOMZBBRYSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123342219 187086314 /nfs/dbraw/zinc/08/63/14/187086314.db2.gz QDUKZFUGKQXTJS-DOMZBBRYSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123783959 187108475 /nfs/dbraw/zinc/10/84/75/187108475.db2.gz GLYZMCGFTYGFDK-CJNGLKHVSA-N 1 1 292.379 2.763 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123807109 187109906 /nfs/dbraw/zinc/10/99/06/187109906.db2.gz AVGOURUPFDPWLP-GXTWGEPZSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846642 187111387 /nfs/dbraw/zinc/11/13/87/187111387.db2.gz XSBKERYZVIFMBD-OCCSQVGLSA-N 1 1 278.352 2.720 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cn[nH]c1 ZINC000615835637 352247145 /nfs/dbraw/zinc/24/71/45/352247145.db2.gz WRONBKVQWCCSRF-SDQBBNPISA-N 1 1 286.335 2.853 20 5 CFBDMO C[N@H+]1CCC[C@H]1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075323 198153851 /nfs/dbraw/zinc/15/38/51/198153851.db2.gz FALHMAAZLJCASD-ZDUSSCGKSA-N 1 1 291.395 2.904 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619179645 352973153 /nfs/dbraw/zinc/97/31/53/352973153.db2.gz ZAGQMCZYZYBLKN-RYUDHWBXSA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619179633 352973171 /nfs/dbraw/zinc/97/31/71/352973171.db2.gz ZAGQMCZYZYBLKN-NWDGAFQWSA-N 1 1 296.342 2.859 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000619531708 353033492 /nfs/dbraw/zinc/03/34/92/353033492.db2.gz JLOAABUTCCWHPA-SNVBAGLBSA-N 1 1 286.278 2.690 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000619531708 353033497 /nfs/dbraw/zinc/03/34/97/353033497.db2.gz JLOAABUTCCWHPA-SNVBAGLBSA-N 1 1 286.278 2.690 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000153830034 188106676 /nfs/dbraw/zinc/10/66/76/188106676.db2.gz ZMUAVCGYQOBUIG-ONGXEEELSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157818812 188340556 /nfs/dbraw/zinc/34/05/56/188340556.db2.gz LKGDVQSEZHRGAM-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295177190 199389336 /nfs/dbraw/zinc/38/93/36/199389336.db2.gz HADSSLKDJZYHME-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295177190 199389338 /nfs/dbraw/zinc/38/93/38/199389338.db2.gz HADSSLKDJZYHME-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000271714392 191286737 /nfs/dbraw/zinc/28/67/37/191286737.db2.gz VRKWXMXENQOWQR-JTQLQIEISA-N 1 1 276.292 2.531 20 5 CFBDMO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273002902 192014856 /nfs/dbraw/zinc/01/48/56/192014856.db2.gz RJZVSFNZNVZGOJ-JTQLQIEISA-N 1 1 279.315 2.796 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CO ZINC000294764468 199172310 /nfs/dbraw/zinc/17/23/10/199172310.db2.gz JMXNDEXVICYTED-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CO ZINC000294764468 199172311 /nfs/dbraw/zinc/17/23/11/199172311.db2.gz JMXNDEXVICYTED-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO Cc1cnccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000296905588 200031690 /nfs/dbraw/zinc/03/16/90/200031690.db2.gz RAXCIHYHDWGCDA-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO [NH3+][C@H]1C[C@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778564 237195764 /nfs/dbraw/zinc/19/57/64/237195764.db2.gz ASMWFIKXXCVFNM-HOTGVXAUSA-N 1 1 297.358 2.872 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422920537 237348414 /nfs/dbraw/zinc/34/84/14/237348414.db2.gz MXXZNEKBAHRLOV-GZBFAFLISA-N 1 1 291.395 2.942 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000301430690 201006433 /nfs/dbraw/zinc/00/64/33/201006433.db2.gz GKSHWKFTBYTHGK-JTQLQIEISA-N 1 1 297.330 2.637 20 5 CFBDMO CCOc1cc(N[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000301507778 201036949 /nfs/dbraw/zinc/03/69/49/201036949.db2.gz HNJZWCGIRAMTBS-ZDUSSCGKSA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000183330889 189354916 /nfs/dbraw/zinc/35/49/16/189354916.db2.gz RGNQSMUVKRDQQR-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301762593 201182165 /nfs/dbraw/zinc/18/21/65/201182165.db2.gz BULBKCIWCSJNGK-VIFPVBQESA-N 1 1 285.294 2.768 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000301988553 201288337 /nfs/dbraw/zinc/28/83/37/201288337.db2.gz LPKFKKJKCDVSEQ-SWLSCSKDSA-N 1 1 277.368 2.761 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426224597 239182419 /nfs/dbraw/zinc/18/24/19/239182419.db2.gz BKABFZLBXUEZJC-KCPJHIHWSA-N 1 1 278.352 2.891 20 5 CFBDMO CC1=CC[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000302145047 201365960 /nfs/dbraw/zinc/36/59/60/201365960.db2.gz JAFLWZVECZPKNC-UHFFFAOYSA-N 1 1 297.305 2.937 20 5 CFBDMO CC1=CC[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000302145047 201365964 /nfs/dbraw/zinc/36/59/64/201365964.db2.gz JAFLWZVECZPKNC-UHFFFAOYSA-N 1 1 297.305 2.937 20 5 CFBDMO Cc1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433810457 240180171 /nfs/dbraw/zinc/18/01/71/240180171.db2.gz KAKPTKANVCCZQK-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435433405 240315191 /nfs/dbraw/zinc/31/51/91/240315191.db2.gz NKNYRDBJOKGDFJ-ZKKXHLJNSA-N 1 1 289.379 2.682 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275533503 193068728 /nfs/dbraw/zinc/06/87/28/193068728.db2.gz YPWMGITWUONEIA-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CC1(C)CCC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000444015474 241109895 /nfs/dbraw/zinc/10/98/95/241109895.db2.gz UKKKLWNUJFVEOS-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000444015474 241109899 /nfs/dbraw/zinc/10/98/99/241109899.db2.gz UKKKLWNUJFVEOS-UHFFFAOYSA-N 1 1 291.395 2.806 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444646017 241157528 /nfs/dbraw/zinc/15/75/28/241157528.db2.gz XZOUIKOFJYQANA-UWVGGRQHSA-N 1 1 274.324 2.701 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000444230608 241126997 /nfs/dbraw/zinc/12/69/97/241126997.db2.gz ZCYXVNNWJJCPKU-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000449575751 242042660 /nfs/dbraw/zinc/04/26/60/242042660.db2.gz YRXWYSPMNADQNY-WCQYABFASA-N 1 1 286.335 2.895 20 5 CFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000449585406 242051284 /nfs/dbraw/zinc/05/12/84/242051284.db2.gz LGWCTQPMNHNVDN-AWEZNQCLSA-N 1 1 280.368 2.824 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)CC(C)(C)C ZINC000449589788 242053653 /nfs/dbraw/zinc/05/36/53/242053653.db2.gz SZJRKOIZXRWCBD-CYBMUJFWSA-N 1 1 298.358 2.963 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000449549840 242020376 /nfs/dbraw/zinc/02/03/76/242020376.db2.gz AWHPMKPPOQEPAX-FMKPAKJESA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000449683551 242105826 /nfs/dbraw/zinc/10/58/26/242105826.db2.gz JGNHRTSRLXCUAG-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000452045966 243024471 /nfs/dbraw/zinc/02/44/71/243024471.db2.gz XUIYNFVRNATCOD-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452075116 243036936 /nfs/dbraw/zinc/03/69/36/243036936.db2.gz HWKUGNHWULDLNC-LLVKDONJSA-N 1 1 280.372 2.586 20 5 CFBDMO CSC1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000459618829 245243882 /nfs/dbraw/zinc/24/38/82/245243882.db2.gz GGELAHSVBYIYCV-UHFFFAOYSA-N 1 1 294.376 2.553 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000459799159 245333150 /nfs/dbraw/zinc/33/31/50/245333150.db2.gz VAIVBRRFPCCXIU-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCCCC3)o2)cc1 ZINC000016442059 372107297 /nfs/dbraw/zinc/10/72/97/372107297.db2.gz CLGYQPPAXQRGNC-UHFFFAOYSA-N 1 1 288.307 2.631 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000037647746 372681652 /nfs/dbraw/zinc/68/16/52/372681652.db2.gz DUNWLUGPSYTGHM-SECBINFHSA-N 1 1 269.732 2.612 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048054436 373141122 /nfs/dbraw/zinc/14/11/22/373141122.db2.gz WAMKWRWTLWKBAP-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963783 373338563 /nfs/dbraw/zinc/33/85/63/373338563.db2.gz DNPMSRRZSPHBSO-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000049963783 373338565 /nfs/dbraw/zinc/33/85/65/373338565.db2.gz DNPMSRRZSPHBSO-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CCO)c(Cl)c1 ZINC000050105180 373353575 /nfs/dbraw/zinc/35/35/75/373353575.db2.gz LEJJJWFEXQRIIT-LBPRGKRZSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CC1 ZINC000053184852 373466578 /nfs/dbraw/zinc/46/65/78/373466578.db2.gz JXKFABYUPLOFRP-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO COc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252872334 220230060 /nfs/dbraw/zinc/23/00/60/220230060.db2.gz PBMPCXMFOGZRHX-RYUDHWBXSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065422862 373871113 /nfs/dbraw/zinc/87/11/13/373871113.db2.gz OMWFUSUPEFHSDT-LBPRGKRZSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069081865 374045211 /nfs/dbraw/zinc/04/52/11/374045211.db2.gz GDLITNJETDPECG-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO Cc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000492420101 246285573 /nfs/dbraw/zinc/28/55/73/246285573.db2.gz XLHVWCCMFFZRCQ-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO C[C@@]1(F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000079035614 374586441 /nfs/dbraw/zinc/58/64/41/374586441.db2.gz ZBOBZABDXXURBI-CYBMUJFWSA-N 1 1 252.289 2.919 20 5 CFBDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000079035614 374586447 /nfs/dbraw/zinc/58/64/47/374586447.db2.gz ZBOBZABDXXURBI-CYBMUJFWSA-N 1 1 252.289 2.919 20 5 CFBDMO CCOc1cc(C[N@@H+](C)CCSC)ccc1[N+](=O)[O-] ZINC000492791019 246387348 /nfs/dbraw/zinc/38/73/48/246387348.db2.gz QTPVGZQPAZKBEE-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096208 374685118 /nfs/dbraw/zinc/68/51/18/374685118.db2.gz MLRAUKWBLTUSEO-YPMHNXCESA-N 1 1 297.424 2.818 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439743 374776509 /nfs/dbraw/zinc/77/65/09/374776509.db2.gz HRUYSLUKOXSLEY-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439743 374776514 /nfs/dbraw/zinc/77/65/14/374776514.db2.gz HRUYSLUKOXSLEY-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCSCC1 ZINC000089981316 374980492 /nfs/dbraw/zinc/98/04/92/374980492.db2.gz AWNPNYADXHCKIF-UHFFFAOYSA-N 1 1 252.339 2.534 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000289483476 197369712 /nfs/dbraw/zinc/36/97/12/197369712.db2.gz BWXAVBKWLRRBSS-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092623056 375131067 /nfs/dbraw/zinc/13/10/67/375131067.db2.gz AJOQLADCACLKRQ-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649575 375135241 /nfs/dbraw/zinc/13/52/41/375135241.db2.gz WECLSMQUWFRLQQ-LLVKDONJSA-N 1 1 263.341 2.798 20 5 CFBDMO COc1cc(C[N@@H+](C)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000093475795 375249538 /nfs/dbraw/zinc/24/95/38/375249538.db2.gz OQYGVZUTHXZNHS-UHFFFAOYSA-N 1 1 280.324 2.596 20 5 CFBDMO Cc1ccc(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000093338254 375218395 /nfs/dbraw/zinc/21/83/95/375218395.db2.gz FDLMNMDSHIUOEM-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO Cc1ccc(O)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000093338254 375218404 /nfs/dbraw/zinc/21/84/04/375218404.db2.gz FDLMNMDSHIUOEM-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410254 375673200 /nfs/dbraw/zinc/67/32/00/375673200.db2.gz BRGQPNMRZVHYJQ-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000507172031 247165812 /nfs/dbraw/zinc/16/58/12/247165812.db2.gz ZAMLTECGYQVERK-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000507172031 247165815 /nfs/dbraw/zinc/16/58/15/247165815.db2.gz ZAMLTECGYQVERK-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO Cn1cccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507175092 247166195 /nfs/dbraw/zinc/16/61/95/247166195.db2.gz USTFHXLYZARCQX-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO Cn1cccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507175092 247166198 /nfs/dbraw/zinc/16/61/98/247166198.db2.gz USTFHXLYZARCQX-UHFFFAOYSA-N 1 1 259.309 2.565 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420943518 296234308 /nfs/dbraw/zinc/23/43/08/296234308.db2.gz RCRVWSRHDZLYMX-FRRDWIJNSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112076664 375882454 /nfs/dbraw/zinc/88/24/54/375882454.db2.gz UZCQFXZRWGCVQM-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112209078 375890173 /nfs/dbraw/zinc/89/01/73/375890173.db2.gz ZCXKVYGJPNEMIY-CHWSQXEVSA-N 1 1 275.352 2.942 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000112411755 375917946 /nfs/dbraw/zinc/91/79/46/375917946.db2.gz UODARJPBCSTGDP-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119906114 376502494 /nfs/dbraw/zinc/50/24/94/376502494.db2.gz RQXHBKKLNDVJNO-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119906114 376502501 /nfs/dbraw/zinc/50/25/01/376502501.db2.gz RQXHBKKLNDVJNO-AWEZNQCLSA-N 1 1 296.342 2.981 20 5 CFBDMO C[C@H]1C[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000121738583 376896267 /nfs/dbraw/zinc/89/62/67/376896267.db2.gz PXXWBEJQFBSEAQ-VHSXEESVSA-N 1 1 299.321 2.792 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000128001971 377313373 /nfs/dbraw/zinc/31/33/73/377313373.db2.gz JEBOHKIHTLCRFF-BTKRWWFXSA-N 1 1 276.336 2.719 20 5 CFBDMO CSC[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000135438464 378131900 /nfs/dbraw/zinc/13/19/00/378131900.db2.gz ZTHJTBFANZNYHU-SNVBAGLBSA-N 1 1 272.395 2.984 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000135438464 378131904 /nfs/dbraw/zinc/13/19/04/378131904.db2.gz ZTHJTBFANZNYHU-SNVBAGLBSA-N 1 1 272.395 2.984 20 5 CFBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136926022 378213935 /nfs/dbraw/zinc/21/39/35/378213935.db2.gz GMGLAFMWBGMSFL-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000138949419 378233342 /nfs/dbraw/zinc/23/33/42/378233342.db2.gz GLPDZZHRXZKRBU-VHSXEESVSA-N 1 1 260.297 2.730 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000138949185 378234254 /nfs/dbraw/zinc/23/42/54/378234254.db2.gz GLPDZZHRXZKRBU-UWVGGRQHSA-N 1 1 260.297 2.730 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152976275 378463995 /nfs/dbraw/zinc/46/39/95/378463995.db2.gz XTAUKPGMEXHNSC-ZBFHGGJFSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1Cl ZINC000154210916 378548955 /nfs/dbraw/zinc/54/89/55/378548955.db2.gz XSBJGHVABVHMRL-CQSZACIVSA-N 1 1 296.754 2.861 20 5 CFBDMO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000330435985 378555127 /nfs/dbraw/zinc/55/51/27/378555127.db2.gz BADMTVSECOHIHQ-SNVBAGLBSA-N 1 1 283.353 2.936 20 5 CFBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000330435985 378555133 /nfs/dbraw/zinc/55/51/33/378555133.db2.gz BADMTVSECOHIHQ-SNVBAGLBSA-N 1 1 283.353 2.936 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330506829 378573497 /nfs/dbraw/zinc/57/34/97/378573497.db2.gz HMKHTNGCRXEPSP-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269937 378661415 /nfs/dbraw/zinc/66/14/15/378661415.db2.gz AETOWBKPFRVKEV-JMSVASOKSA-N 1 1 278.352 2.576 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000331417858 378686563 /nfs/dbraw/zinc/68/65/63/378686563.db2.gz DJNGOVAPHQZTGW-ZJUUUORDSA-N 1 1 274.324 2.701 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332247150 378739838 /nfs/dbraw/zinc/73/98/38/378739838.db2.gz XDFKVOGJAPZPBZ-CQSZACIVSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045631 378720565 /nfs/dbraw/zinc/72/05/65/378720565.db2.gz LPABCJZBNQPZGV-WDEREUQCSA-N 1 1 292.335 2.692 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332065679 378724126 /nfs/dbraw/zinc/72/41/26/378724126.db2.gz RUULZDQKRWEZKO-ZDUSSCGKSA-N 1 1 292.335 2.836 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000161312207 378839869 /nfs/dbraw/zinc/83/98/69/378839869.db2.gz ITEQZGHNWBIOFN-ZDUSSCGKSA-N 1 1 292.383 2.770 20 5 CFBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000163249445 378961820 /nfs/dbraw/zinc/96/18/20/378961820.db2.gz VMHHETVWENAXNZ-VIFPVBQESA-N 1 1 263.322 2.902 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000571861368 383733139 /nfs/dbraw/zinc/73/31/39/383733139.db2.gz TYSAIISPUMUPAC-GHMZBOCLSA-N 1 1 296.346 2.661 20 5 CFBDMO CCC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289451637 197353814 /nfs/dbraw/zinc/35/38/14/197353814.db2.gz XJNBMDSNBFEPLV-UHFFFAOYSA-N 1 1 264.325 2.786 20 5 CFBDMO CCC(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289451637 197353815 /nfs/dbraw/zinc/35/38/15/197353815.db2.gz XJNBMDSNBFEPLV-UHFFFAOYSA-N 1 1 264.325 2.786 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000171690724 379372824 /nfs/dbraw/zinc/37/28/24/379372824.db2.gz FVJAWZQCRYCVDY-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000171690724 379372829 /nfs/dbraw/zinc/37/28/29/379372829.db2.gz FVJAWZQCRYCVDY-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO CC[N@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432333290 383737823 /nfs/dbraw/zinc/73/78/23/383737823.db2.gz BEPCKCBZLNYEBE-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO CC(C)(C)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463569 379740384 /nfs/dbraw/zinc/74/03/84/379740384.db2.gz FQJLPWMZZIPFGQ-LBPRGKRZSA-N 1 1 292.383 2.912 20 5 CFBDMO CCCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174818415 379946982 /nfs/dbraw/zinc/94/69/82/379946982.db2.gz LUYWRNCXCJRTDP-UHFFFAOYSA-N 1 1 268.361 2.692 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C ZINC000175285293 380038489 /nfs/dbraw/zinc/03/84/89/380038489.db2.gz HBNYQQBQMIQCDM-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Cl ZINC000176193048 380192489 /nfs/dbraw/zinc/19/24/89/380192489.db2.gz UIWBANJTVIEZRR-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Cl ZINC000176193048 380192495 /nfs/dbraw/zinc/19/24/95/380192495.db2.gz UIWBANJTVIEZRR-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[C@H](c1cccs1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176210781 380195410 /nfs/dbraw/zinc/19/54/10/380195410.db2.gz GBTHYRVMBOSTFG-SNVBAGLBSA-N 1 1 280.353 2.546 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353804510 380865824 /nfs/dbraw/zinc/86/58/24/380865824.db2.gz MWIZKKLLGNDBNN-KGLIPLIRSA-N 1 1 291.395 2.818 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000182156380 381006104 /nfs/dbraw/zinc/00/61/04/381006104.db2.gz GCFFOSWFAUDZGY-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182245244 381036995 /nfs/dbraw/zinc/03/69/95/381036995.db2.gz QOWJYJDBAHIDDB-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000347356068 381093749 /nfs/dbraw/zinc/09/37/49/381093749.db2.gz KQEYYDYCBQALNJ-RCBBPTIPSA-N 1 1 290.363 2.845 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000347356061 381094625 /nfs/dbraw/zinc/09/46/25/381094625.db2.gz KQEYYDYCBQALNJ-LRFDDAOPSA-N 1 1 290.363 2.845 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000347370110 381102887 /nfs/dbraw/zinc/10/28/87/381102887.db2.gz URNVYVGAWFHPPF-ZFSVZOPNSA-N 1 1 288.347 2.861 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077339 381147401 /nfs/dbraw/zinc/14/74/01/381147401.db2.gz JWKJJVNUZRBHRI-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289729451 381124167 /nfs/dbraw/zinc/12/41/67/381124167.db2.gz DGYBRCJTKSRXHB-HNNXBMFYSA-N 1 1 286.335 2.547 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000289862645 381193651 /nfs/dbraw/zinc/19/36/51/381193651.db2.gz OOSGWLPHLYZKSX-LLVKDONJSA-N 1 1 285.413 2.866 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289895258 381206538 /nfs/dbraw/zinc/20/65/38/381206538.db2.gz WPPJECYWPLDAIM-WAFBPQNNSA-N 1 1 264.325 2.575 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000359086556 381257295 /nfs/dbraw/zinc/25/72/95/381257295.db2.gz VLSFTHWRYQBMQE-LLVKDONJSA-N 1 1 292.383 2.750 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000359105045 381267079 /nfs/dbraw/zinc/26/70/79/381267079.db2.gz WKAUUURMQNXDAC-NWDGAFQWSA-N 1 1 278.356 2.501 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000359105048 381267231 /nfs/dbraw/zinc/26/72/31/381267231.db2.gz WKAUUURMQNXDAC-RYUDHWBXSA-N 1 1 278.356 2.501 20 5 CFBDMO CC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356196 381292831 /nfs/dbraw/zinc/29/28/31/381292831.db2.gz GDFZVAZMVKBJNJ-GWCFXTLKSA-N 1 1 291.351 2.692 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342357985 381294204 /nfs/dbraw/zinc/29/42/04/381294204.db2.gz NZDUKEKPYFHYOF-UHFFFAOYSA-N 1 1 280.372 2.586 20 5 CFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183697082 381307616 /nfs/dbraw/zinc/30/76/16/381307616.db2.gz IPGMZQAOIOVUFI-LBPRGKRZSA-N 1 1 294.351 2.677 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370055830 381375095 /nfs/dbraw/zinc/37/50/95/381375095.db2.gz NHIFTOJSANYIOQ-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO COc1cc(C[N@H+](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184237485 381389525 /nfs/dbraw/zinc/38/95/25/381389525.db2.gz SOVHHLDSXPJUBY-UHFFFAOYSA-N 1 1 288.344 2.537 20 5 CFBDMO COc1cc(C[N@@H+](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184237485 381389538 /nfs/dbraw/zinc/38/95/38/381389538.db2.gz SOVHHLDSXPJUBY-UHFFFAOYSA-N 1 1 288.344 2.537 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342566471 381400139 /nfs/dbraw/zinc/40/01/39/381400139.db2.gz IHHXGMHXWVAOKD-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO CC(C)C[C@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290375437 381403339 /nfs/dbraw/zinc/40/33/39/381403339.db2.gz HSPXXKHLVPRAHM-PMGBHYCQSA-N 1 1 292.379 2.947 20 5 CFBDMO Cc1cccc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000184558140 381433066 /nfs/dbraw/zinc/43/30/66/381433066.db2.gz KKYHLXYTAHEVPZ-UHFFFAOYSA-N 1 1 257.293 2.935 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[N@@H+](C)C1CC1 ZINC000290527475 381465849 /nfs/dbraw/zinc/46/58/49/381465849.db2.gz QKYKLAIUEDYFKO-FNORWQNLSA-N 1 1 289.379 2.634 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342727313 381503949 /nfs/dbraw/zinc/50/39/49/381503949.db2.gz BWCHSHVGMMKEEW-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000370723309 381499410 /nfs/dbraw/zinc/49/94/10/381499410.db2.gz HBKPTCYZIXSRDK-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000298364837 381594312 /nfs/dbraw/zinc/59/43/12/381594312.db2.gz ACLCCFUDWSLWLN-GFCCVEGCSA-N 1 1 293.367 2.534 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542116 381619047 /nfs/dbraw/zinc/61/90/47/381619047.db2.gz ATMCFGHRSHUKHH-IEWAYXNBSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348547009 381626608 /nfs/dbraw/zinc/62/66/08/381626608.db2.gz NTISBRWADKXUTN-IQCBXXCUSA-N 1 1 289.379 2.634 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355203319 381673874 /nfs/dbraw/zinc/67/38/74/381673874.db2.gz DUDNOLFIRJESDV-DZGCQCFKSA-N 1 1 290.363 2.843 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1OCCCn1cc[nH+]c1C ZINC000298524009 381660680 /nfs/dbraw/zinc/66/06/80/381660680.db2.gz VULSWNFDECGZMY-UHFFFAOYSA-N 1 1 291.307 2.577 20 5 CFBDMO CC1(C)C[NH2+]CC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414968423 381666143 /nfs/dbraw/zinc/66/61/43/381666143.db2.gz IBBKUWWFAACTIC-PKYBCLHXSA-N 1 1 289.379 2.586 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1F ZINC000298499334 381652244 /nfs/dbraw/zinc/65/22/44/381652244.db2.gz HPTKLFZPAKPFQS-UHFFFAOYSA-N 1 1 279.271 2.708 20 5 CFBDMO COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291222563 381713317 /nfs/dbraw/zinc/71/33/17/381713317.db2.gz JNNNOXINAICKJT-CYBMUJFWSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335005 381761245 /nfs/dbraw/zinc/76/12/45/381761245.db2.gz NFKVBEFMCUQMSZ-RYUDHWBXSA-N 1 1 280.372 2.729 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886919 381886319 /nfs/dbraw/zinc/88/63/19/381886319.db2.gz YKKGTQYBRXHAPF-NSHDSACASA-N 1 1 280.324 2.596 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886919 381886322 /nfs/dbraw/zinc/88/63/22/381886322.db2.gz YKKGTQYBRXHAPF-NSHDSACASA-N 1 1 280.324 2.596 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349367180 381910119 /nfs/dbraw/zinc/91/01/19/381910119.db2.gz LBLPUIGQJANBME-ARRLWOLASA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000373442165 382005358 /nfs/dbraw/zinc/00/53/58/382005358.db2.gz LFOPVDKPANHNNQ-HNNXBMFYSA-N 1 1 290.363 2.894 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000373468836 382011086 /nfs/dbraw/zinc/01/10/86/382011086.db2.gz WQSGQWZSJQKLAT-SNVBAGLBSA-N 1 1 296.754 2.717 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849150 381981401 /nfs/dbraw/zinc/98/14/01/381981401.db2.gz HEJUCHXYBJBJLL-NXEZZACHSA-N 1 1 297.330 2.637 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186984225 382067543 /nfs/dbraw/zinc/06/75/43/382067543.db2.gz YSSUISRXMKKGOB-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO COc1cc(C[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000351976447 382102241 /nfs/dbraw/zinc/10/22/41/382102241.db2.gz BFISXSALWYLCQQ-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO COc1cc(C[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000351976447 382102245 /nfs/dbraw/zinc/10/22/45/382102245.db2.gz BFISXSALWYLCQQ-UHFFFAOYSA-N 1 1 276.292 2.828 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301198030 382103445 /nfs/dbraw/zinc/10/34/45/382103445.db2.gz LGEYYPOPZNJRPN-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000357325671 382109449 /nfs/dbraw/zinc/10/94/49/382109449.db2.gz VBGWGCUECWXTRT-UHFFFAOYSA-N 1 1 289.282 2.560 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351976848 382101687 /nfs/dbraw/zinc/10/16/87/382101687.db2.gz CUCNVHYLRKTEHO-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172762 382178481 /nfs/dbraw/zinc/17/84/81/382178481.db2.gz PNZCSBNCCCVCIU-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344172762 382178486 /nfs/dbraw/zinc/17/84/86/382178486.db2.gz PNZCSBNCCCVCIU-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000357457038 382178894 /nfs/dbraw/zinc/17/88/94/382178894.db2.gz UHEXWHFWHZLYAS-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301603617 382180604 /nfs/dbraw/zinc/18/06/04/382180604.db2.gz LDOCEVGJJIKVFV-ZDUSSCGKSA-N 1 1 277.368 2.985 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293466147 382133160 /nfs/dbraw/zinc/13/31/60/382133160.db2.gz QODSMLWZRNTKEB-JLLWLGSASA-N 1 1 291.351 2.570 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293466147 382133164 /nfs/dbraw/zinc/13/31/64/382133164.db2.gz QODSMLWZRNTKEB-JLLWLGSASA-N 1 1 291.351 2.570 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000301327719 382149678 /nfs/dbraw/zinc/14/96/78/382149678.db2.gz BZHKYFMVCLZRPD-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000301352543 382155541 /nfs/dbraw/zinc/15/55/41/382155541.db2.gz KSSFZIUGUWQZQM-UHFFFAOYSA-N 1 1 293.367 2.526 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293525832 382158706 /nfs/dbraw/zinc/15/87/06/382158706.db2.gz WNAKWAXLPYHCRT-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301500455 382173478 /nfs/dbraw/zinc/17/34/78/382173478.db2.gz DLZQPHZTWYOQBG-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO C[C@H](CN1CCCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000187566452 382212510 /nfs/dbraw/zinc/21/25/10/382212510.db2.gz WSLGJLUZKIRSQQ-CQSZACIVSA-N 1 1 291.395 2.949 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187588102 382218552 /nfs/dbraw/zinc/21/85/52/382218552.db2.gz VGVFINBELCPWBT-OAHLLOKOSA-N 1 1 278.352 2.579 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccccc1 ZINC000362647134 382186795 /nfs/dbraw/zinc/18/67/95/382186795.db2.gz CGSPNIGEFBLRKO-GOEBONIOSA-N 1 1 298.346 2.847 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000352325194 382274676 /nfs/dbraw/zinc/27/46/76/382274676.db2.gz OMAGWEMSGVHUGA-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956923 382310070 /nfs/dbraw/zinc/31/00/70/382310070.db2.gz YPEGTKLVGMEJLN-CJNGLKHVSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000377652614 382312990 /nfs/dbraw/zinc/31/29/90/382312990.db2.gz OCVMDUKDDSQEDB-INIZCTEOSA-N 1 1 292.379 2.744 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000352524483 382379873 /nfs/dbraw/zinc/37/98/73/382379873.db2.gz BDIRYEMUKQQCML-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000352540156 382386660 /nfs/dbraw/zinc/38/66/60/382386660.db2.gz HSNFZZVZMUCATK-BETUJISGSA-N 1 1 276.336 2.835 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000352543844 382389663 /nfs/dbraw/zinc/38/96/63/382389663.db2.gz KNRIDSQKALRECB-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352545809 382389825 /nfs/dbraw/zinc/38/98/25/382389825.db2.gz MADUMYKOWQFAMW-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc(C[N@H+](C[C@H](C)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000352545250 382390338 /nfs/dbraw/zinc/39/03/38/382390338.db2.gz HSJYRGPNXSNBQH-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000352558586 382396149 /nfs/dbraw/zinc/39/61/49/382396149.db2.gz ANKYLVFJJNKIEJ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000305228888 382435238 /nfs/dbraw/zinc/43/52/38/382435238.db2.gz XBIKAPYLJYVLTF-CQSZACIVSA-N 1 1 292.379 2.923 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000352667573 382442849 /nfs/dbraw/zinc/44/28/49/382442849.db2.gz LKWGDGOWHLYSJL-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294227871 382468139 /nfs/dbraw/zinc/46/81/39/382468139.db2.gz NZRFQTDMPBEWHD-AWEZNQCLSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000366762918 382549652 /nfs/dbraw/zinc/54/96/52/382549652.db2.gz YQDOSKVAWTUKHW-ZDUSSCGKSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000366762918 382549656 /nfs/dbraw/zinc/54/96/56/382549656.db2.gz YQDOSKVAWTUKHW-ZDUSSCGKSA-N 1 1 284.319 2.588 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353743797 382622699 /nfs/dbraw/zinc/62/26/99/382622699.db2.gz CWTGNXOGNAYFCQ-MRXNPFEDSA-N 1 1 290.363 2.987 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000353751867 382626487 /nfs/dbraw/zinc/62/64/87/382626487.db2.gz ZEFOBXJOVJPYAD-XJKSGUPXSA-N 1 1 291.395 2.899 20 5 CFBDMO CCC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190314336 382661585 /nfs/dbraw/zinc/66/15/85/382661585.db2.gz ADWMJDDUZHRVMM-UHFFFAOYSA-N 1 1 276.336 2.928 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312258 382661716 /nfs/dbraw/zinc/66/17/16/382661716.db2.gz KQEBMTMTFIBJKL-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312258 382661717 /nfs/dbraw/zinc/66/17/17/382661717.db2.gz KQEBMTMTFIBJKL-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000190421870 382667232 /nfs/dbraw/zinc/66/72/32/382667232.db2.gz DGQYORVSVQMMGV-LBPRGKRZSA-N 1 1 296.392 2.659 20 5 CFBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191636786 382701576 /nfs/dbraw/zinc/70/15/76/382701576.db2.gz UIPOYGOVENGKGY-INIZCTEOSA-N 1 1 292.379 2.968 20 5 CFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191636805 382701727 /nfs/dbraw/zinc/70/17/27/382701727.db2.gz UIPOYGOVENGKGY-MRXNPFEDSA-N 1 1 292.379 2.968 20 5 CFBDMO CC(C)c1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000575180804 382730094 /nfs/dbraw/zinc/73/00/94/382730094.db2.gz DDVKAOKKFOVHLZ-RYUDHWBXSA-N 1 1 279.384 2.934 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194065069 382734088 /nfs/dbraw/zinc/73/40/88/382734088.db2.gz AXIFISVXBJPMTF-JTQLQIEISA-N 1 1 279.296 2.735 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628883 382787368 /nfs/dbraw/zinc/78/73/68/382787368.db2.gz RLGYINIOSYPFMM-RCBQFDQVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628883 382787370 /nfs/dbraw/zinc/78/73/70/382787370.db2.gz RLGYINIOSYPFMM-RCBQFDQVSA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1cccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000218835054 382790872 /nfs/dbraw/zinc/79/08/72/382790872.db2.gz DENPQIKDUAMOII-LBPRGKRZSA-N 1 1 275.352 2.799 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227266950 382834725 /nfs/dbraw/zinc/83/47/25/382834725.db2.gz ZXKWBMLDSRBEDV-UHFFFAOYSA-N 1 1 286.763 2.785 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000227549765 382837737 /nfs/dbraw/zinc/83/77/37/382837737.db2.gz HHXBRQZTJYGAOD-UHFFFAOYSA-N 1 1 267.304 2.630 20 5 CFBDMO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000230142691 382855893 /nfs/dbraw/zinc/85/58/93/382855893.db2.gz STRXPERSXJVHOJ-JTQLQIEISA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000230142691 382855894 /nfs/dbraw/zinc/85/58/94/382855894.db2.gz STRXPERSXJVHOJ-JTQLQIEISA-N 1 1 297.786 2.821 20 5 CFBDMO C[N@H+]1CC[C@H](CSc2cccc([N+](=O)[O-])c2)C1 ZINC000337737716 382860106 /nfs/dbraw/zinc/86/01/06/382860106.db2.gz BIONNEPASYVJDV-JTQLQIEISA-N 1 1 252.339 2.639 20 5 CFBDMO C[C@@H]1C[N@@H+](CCSc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000579259364 383000249 /nfs/dbraw/zinc/00/02/49/383000249.db2.gz SEYIPHGOZXQKES-TXEJJXNPSA-N 1 1 296.392 2.796 20 5 CFBDMO C[C@@H]1C[N@H+](CCSc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000579259364 383000253 /nfs/dbraw/zinc/00/02/53/383000253.db2.gz SEYIPHGOZXQKES-TXEJJXNPSA-N 1 1 296.392 2.796 20 5 CFBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245520611 383004424 /nfs/dbraw/zinc/00/44/24/383004424.db2.gz JVJCWSFQLQJTQW-NWDGAFQWSA-N 1 1 294.351 2.705 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 ZINC000245532480 383004666 /nfs/dbraw/zinc/00/46/66/383004666.db2.gz URHFJBCAUGYNAN-CHWSQXEVSA-N 1 1 278.352 2.933 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000245550978 383006269 /nfs/dbraw/zinc/00/62/69/383006269.db2.gz PEDSAHCEQIOEDB-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000245550978 383006271 /nfs/dbraw/zinc/00/62/71/383006271.db2.gz PEDSAHCEQIOEDB-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1cccc2c(NCC[N@@H+]3CC=CCC3)ccnc21 ZINC000338710429 383029429 /nfs/dbraw/zinc/02/94/29/383029429.db2.gz HNSYOROOUWBWFI-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c2ncccc12 ZINC000338709686 383030100 /nfs/dbraw/zinc/03/01/00/383030100.db2.gz FSACYUOBLLIBAE-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(C)(C)[NH3+] ZINC000423289320 383056756 /nfs/dbraw/zinc/05/67/56/383056756.db2.gz WTGZGPSYZJGRQL-NSHDSACASA-N 1 1 297.424 2.792 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924414 383121588 /nfs/dbraw/zinc/12/15/88/383121588.db2.gz QDTSLRRIKLYKLY-WFASDCNBSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924414 383121592 /nfs/dbraw/zinc/12/15/92/383121592.db2.gz QDTSLRRIKLYKLY-WFASDCNBSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924414 383121595 /nfs/dbraw/zinc/12/15/95/383121595.db2.gz QDTSLRRIKLYKLY-WFASDCNBSA-N 1 1 291.395 2.818 20 5 CFBDMO CC[N@@H+](CCC1CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339092808 383146120 /nfs/dbraw/zinc/14/61/20/383146120.db2.gz CTHPBTOFBDJHTQ-UHFFFAOYSA-N 1 1 264.325 2.922 20 5 CFBDMO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423398896 383081951 /nfs/dbraw/zinc/08/19/51/383081951.db2.gz PEAJBEYLERJWTR-SCDSUCTJSA-N 1 1 277.368 2.552 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246798416 383105161 /nfs/dbraw/zinc/10/51/61/383105161.db2.gz ROSHUNWWTLZEIR-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnccn3)C2)cc1 ZINC000518482864 383199236 /nfs/dbraw/zinc/19/92/36/383199236.db2.gz HTWIBWNYEORIQK-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO COc1cc(C[N@@H+](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000566735647 383206367 /nfs/dbraw/zinc/20/63/67/383206367.db2.gz DACMHAZDBIDIEF-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248344131 383226206 /nfs/dbraw/zinc/22/62/06/383226206.db2.gz LENCPTMMABEBQJ-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000248411261 383237886 /nfs/dbraw/zinc/23/78/86/383237886.db2.gz DPRFWMGTJRCRGW-SMDDNHRTSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248414965 383238690 /nfs/dbraw/zinc/23/86/90/383238690.db2.gz NKSYDPBXIYPTRB-GXTWGEPZSA-N 1 1 292.379 2.921 20 5 CFBDMO CCOc1cc(C[N@@H+](C)CC(C)(C)OC)ccc1[N+](=O)[O-] ZINC000567101263 383241317 /nfs/dbraw/zinc/24/13/17/383241317.db2.gz IPDJPQNGAMVDDO-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449492315 383330749 /nfs/dbraw/zinc/33/07/49/383330749.db2.gz IZRGYUVKTFXKER-DOMZBBRYSA-N 1 1 278.352 2.842 20 5 CFBDMO CCn1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000522245227 383333548 /nfs/dbraw/zinc/33/35/48/383333548.db2.gz GLGDASSJYFELNG-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO CCn1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000522245227 383333551 /nfs/dbraw/zinc/33/35/51/383333551.db2.gz GLGDASSJYFELNG-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000567557351 383286699 /nfs/dbraw/zinc/28/66/99/383286699.db2.gz YFDKUFZLLVXHKS-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000567557351 383286707 /nfs/dbraw/zinc/28/67/07/383286707.db2.gz YFDKUFZLLVXHKS-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464695806 383313348 /nfs/dbraw/zinc/31/33/48/383313348.db2.gz WJSGQWGGHARNPM-VHSXEESVSA-N 1 1 282.315 2.973 20 5 CFBDMO C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000340277027 383400239 /nfs/dbraw/zinc/40/02/39/383400239.db2.gz FZCLPVCUFCHGMU-UHFFFAOYSA-N 1 1 298.342 2.900 20 5 CFBDMO CC[N@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411492 383401222 /nfs/dbraw/zinc/40/12/22/383401222.db2.gz SMRMHCZSRJCXEB-HNNXBMFYSA-N 1 1 289.379 2.656 20 5 CFBDMO CC[N@@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411492 383401229 /nfs/dbraw/zinc/40/12/29/383401229.db2.gz SMRMHCZSRJCXEB-HNNXBMFYSA-N 1 1 289.379 2.656 20 5 CFBDMO CC[N@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411493 383401877 /nfs/dbraw/zinc/40/18/77/383401877.db2.gz SMRMHCZSRJCXEB-OAHLLOKOSA-N 1 1 289.379 2.656 20 5 CFBDMO CC[N@@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411493 383401881 /nfs/dbraw/zinc/40/18/81/383401881.db2.gz SMRMHCZSRJCXEB-OAHLLOKOSA-N 1 1 289.379 2.656 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000524619875 383376685 /nfs/dbraw/zinc/37/66/85/383376685.db2.gz MIKORHVDUVQGMA-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252672915 383425607 /nfs/dbraw/zinc/42/56/07/383425607.db2.gz DYTWDWGQAFJCSD-KGLIPLIRSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672946 383426469 /nfs/dbraw/zinc/42/64/69/383426469.db2.gz FLWWBQAAIPFXNP-NEPJUHHUSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@@H+]1CC=CCC1 ZINC000450493743 383436750 /nfs/dbraw/zinc/43/67/50/383436750.db2.gz GEFWKRKKTNAPKH-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC000450548182 383456686 /nfs/dbraw/zinc/45/66/86/383456686.db2.gz QOXZFIRATBMMST-ZDUSSCGKSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000428481979 383482750 /nfs/dbraw/zinc/48/27/50/383482750.db2.gz GINSPOFIUWOAEX-UKRRQHHQSA-N 1 1 278.352 2.639 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000255593887 383484434 /nfs/dbraw/zinc/48/44/34/383484434.db2.gz YMGGRGDQGRHIOK-SMGNDMQFSA-N 1 1 290.363 2.966 20 5 CFBDMO CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000488170153 383502875 /nfs/dbraw/zinc/50/28/75/383502875.db2.gz UTVUUGVVCRKZPH-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261871930 383572619 /nfs/dbraw/zinc/57/26/19/383572619.db2.gz PACSQXDTQSFMCH-INIZCTEOSA-N 1 1 291.395 2.805 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451325953 383591894 /nfs/dbraw/zinc/59/18/94/383591894.db2.gz PIHXVQIFAVEHAL-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000450948880 383562994 /nfs/dbraw/zinc/56/29/94/383562994.db2.gz HXVPZTFKBQKJDP-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO CO[C@@H](C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546739 383641091 /nfs/dbraw/zinc/64/10/91/383641091.db2.gz JOSWFVZGXIPODB-GXTWGEPZSA-N 1 1 278.352 2.809 20 5 CFBDMO CC(C)(O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547138 383641725 /nfs/dbraw/zinc/64/17/25/383641725.db2.gz KGOQZDXXYQSWQF-CQSZACIVSA-N 1 1 292.379 2.935 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)cc1 ZINC000451550492 383643789 /nfs/dbraw/zinc/64/37/89/383643789.db2.gz RYBWBTXELCTDBX-ZFWWWQNUSA-N 1 1 290.363 2.811 20 5 CFBDMO CCOCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551711 383643980 /nfs/dbraw/zinc/64/39/80/383643980.db2.gz URWDNCUBPAZXJE-CQSZACIVSA-N 1 1 278.352 2.811 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC1(C)C ZINC000489503293 383625303 /nfs/dbraw/zinc/62/53/03/383625303.db2.gz XSOXQKFBZYFDMQ-GFCCVEGCSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC1(C)C ZINC000489503293 383625306 /nfs/dbraw/zinc/62/53/06/383625306.db2.gz XSOXQKFBZYFDMQ-GFCCVEGCSA-N 1 1 252.289 2.964 20 5 CFBDMO CCO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451526278 383635041 /nfs/dbraw/zinc/63/50/41/383635041.db2.gz GMUONAHAAKBJKQ-BBRMVZONSA-N 1 1 292.379 2.884 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059014 383824751 /nfs/dbraw/zinc/82/47/51/383824751.db2.gz RZOGMXVYODOCRG-HUUCEWRRSA-N 1 1 278.352 2.720 20 5 CFBDMO CCC[N@H+](C)Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000453292149 383839717 /nfs/dbraw/zinc/83/97/17/383839717.db2.gz ONQZRIDGDBVNLW-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CCC[N@@H+](C)Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000453292149 383839723 /nfs/dbraw/zinc/83/97/23/383839723.db2.gz ONQZRIDGDBVNLW-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000531381596 383858951 /nfs/dbraw/zinc/85/89/51/383858951.db2.gz QQKKNRZMWQFNRY-MCIONIFRSA-N 1 1 292.383 2.692 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000573353874 383916561 /nfs/dbraw/zinc/91/65/61/383916561.db2.gz GFCCPFPJMBUFOF-GFCCVEGCSA-N 1 1 290.367 2.503 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496668 383933331 /nfs/dbraw/zinc/93/33/31/383933331.db2.gz WVWXLOZFYZUSNG-YGRLFVJLSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496668 383933337 /nfs/dbraw/zinc/93/33/37/383933337.db2.gz WVWXLOZFYZUSNG-YGRLFVJLSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532426 384044202 /nfs/dbraw/zinc/04/42/02/384044202.db2.gz HIXLMQHYYJILIT-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532426 384044209 /nfs/dbraw/zinc/04/42/09/384044209.db2.gz HIXLMQHYYJILIT-STQMWFEESA-N 1 1 277.368 2.587 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266042918 384062009 /nfs/dbraw/zinc/06/20/09/384062009.db2.gz WIABJNVFNXYJHL-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO C[C@@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000266286689 384136126 /nfs/dbraw/zinc/13/61/26/384136126.db2.gz VTSSKDUDJUSISX-VXGBXAGGSA-N 1 1 263.341 2.514 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266289130 384137519 /nfs/dbraw/zinc/13/75/19/384137519.db2.gz WDFWJOUYWPZEBQ-MNOVXSKESA-N 1 1 281.331 2.653 20 5 CFBDMO COCCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266757725 384233357 /nfs/dbraw/zinc/23/33/57/384233357.db2.gz SEPGCIFJOUTDMJ-LLVKDONJSA-N 1 1 252.314 2.624 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000267098209 384299398 /nfs/dbraw/zinc/29/93/98/384299398.db2.gz SQQFFXAGFDACEO-GFCCVEGCSA-N 1 1 292.364 2.690 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000362452072 285110586 /nfs/dbraw/zinc/11/05/86/285110586.db2.gz MXTYFZWOKSQEOZ-GOEBONIOSA-N 1 1 290.363 2.638 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC(=O)CC1 ZINC000289396223 197327568 /nfs/dbraw/zinc/32/75/68/197327568.db2.gz ROIGMEWEDOQTPI-UHFFFAOYSA-N 1 1 276.336 2.786 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113780 384535129 /nfs/dbraw/zinc/53/51/29/384535129.db2.gz FSTRRLPIXQCLPL-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000268113780 384535134 /nfs/dbraw/zinc/53/51/34/384535134.db2.gz FSTRRLPIXQCLPL-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000353075427 220303755 /nfs/dbraw/zinc/30/37/55/220303755.db2.gz XTWNAKZQQCTRGX-NSHDSACASA-N 1 1 285.413 2.866 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279385993 384622325 /nfs/dbraw/zinc/62/23/25/384622325.db2.gz TYBPNRXPJBCYBO-NHYWBVRUSA-N 1 1 276.336 2.594 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279385993 384622332 /nfs/dbraw/zinc/62/23/32/384622332.db2.gz TYBPNRXPJBCYBO-NHYWBVRUSA-N 1 1 276.336 2.594 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663341 384713478 /nfs/dbraw/zinc/71/34/78/384713478.db2.gz CTSLCXTYKSXBSY-PWSUYJOCSA-N 1 1 284.381 2.782 20 5 CFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000279663341 384713485 /nfs/dbraw/zinc/71/34/85/384713485.db2.gz CTSLCXTYKSXBSY-PWSUYJOCSA-N 1 1 284.381 2.782 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279776749 384757839 /nfs/dbraw/zinc/75/78/39/384757839.db2.gz NKRYUNBABXBJIN-RISCZKNCSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1occc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687350 384838050 /nfs/dbraw/zinc/83/80/50/384838050.db2.gz TVEMJXUUBMELSD-HNNXBMFYSA-N 1 1 290.319 2.662 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683305 384834156 /nfs/dbraw/zinc/83/41/56/384834156.db2.gz YYPDKYJRFPBQTE-IUODEOHRSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279902328 384805912 /nfs/dbraw/zinc/80/59/12/384805912.db2.gz DMSXMWPVJZUIPW-IUODEOHRSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[N@@H+](CCOC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270678931 385188483 /nfs/dbraw/zinc/18/84/83/385188483.db2.gz CDTMFVZFCICVDA-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO CCC(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000280814939 385166705 /nfs/dbraw/zinc/16/67/05/385166705.db2.gz XKBCBGIWWQKDGC-UHFFFAOYSA-N 1 1 291.351 2.694 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000271120311 285159139 /nfs/dbraw/zinc/15/91/39/285159139.db2.gz JJQQAJIBJSZXMM-RKIWFNSJSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000271120311 285159147 /nfs/dbraw/zinc/15/91/47/285159147.db2.gz JJQQAJIBJSZXMM-RKIWFNSJSA-N 1 1 288.347 2.861 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000289070521 197226990 /nfs/dbraw/zinc/22/69/90/197226990.db2.gz NKTUXUYTEDHFAM-NSHDSACASA-N 1 1 280.372 2.709 20 5 CFBDMO CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000282359305 385292925 /nfs/dbraw/zinc/29/29/25/385292925.db2.gz NCWRSKDKABAHEJ-DOMZBBRYSA-N 1 1 278.352 2.637 20 5 CFBDMO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[N@H+]1C ZINC000282372992 385295434 /nfs/dbraw/zinc/29/54/34/385295434.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000283152616 385440957 /nfs/dbraw/zinc/44/09/57/385440957.db2.gz XQCBSBJKIOYLKV-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000272044234 385434234 /nfs/dbraw/zinc/43/42/34/385434234.db2.gz PDTBOFUFIQAEEU-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CCCC1)CC2 ZINC000408149238 285184149 /nfs/dbraw/zinc/18/41/49/285184149.db2.gz PUXIPVLBHMOKHL-UHFFFAOYSA-N 1 1 261.325 2.538 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272623675 385578701 /nfs/dbraw/zinc/57/87/01/385578701.db2.gz YVDTVOSWCVQGBU-RYUDHWBXSA-N 1 1 284.381 2.639 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426459375 533219491 /nfs/dbraw/zinc/21/94/91/533219491.db2.gz KKNHXJFPPDBXOI-RISCZKNCSA-N 1 1 276.336 2.978 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281659759 195326244 /nfs/dbraw/zinc/32/62/44/195326244.db2.gz KSBSPGYOVCWPRY-KOLCDFICSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281659759 195326246 /nfs/dbraw/zinc/32/62/46/195326246.db2.gz KSBSPGYOVCWPRY-KOLCDFICSA-N 1 1 270.354 2.656 20 5 CFBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281768543 195373017 /nfs/dbraw/zinc/37/30/17/195373017.db2.gz LZNFFKBNAWALDF-UHFFFAOYSA-N 1 1 290.319 2.669 20 5 CFBDMO C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422920625 533379441 /nfs/dbraw/zinc/37/94/41/533379441.db2.gz MJEOXGKTCVNMEE-CJNGLKHVSA-N 1 1 291.395 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000342011537 130198482 /nfs/dbraw/zinc/19/84/82/130198482.db2.gz GJCQUADFRVQBQY-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000355361376 130290942 /nfs/dbraw/zinc/29/09/42/130290942.db2.gz HFLHMUTVHWVORW-UHFFFAOYSA-N 1 1 278.352 2.673 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000192186704 130389987 /nfs/dbraw/zinc/38/99/87/130389987.db2.gz PZNBFQDOYMWPKY-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648031 130849229 /nfs/dbraw/zinc/84/92/29/130849229.db2.gz QQCJDLGIBDIHKT-SECBINFHSA-N 1 1 284.747 2.539 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000183348860 393519560 /nfs/dbraw/zinc/51/95/60/393519560.db2.gz IJBQJDQSCOVNJA-NWDGAFQWSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000183348860 393519564 /nfs/dbraw/zinc/51/95/64/393519564.db2.gz IJBQJDQSCOVNJA-NWDGAFQWSA-N 1 1 264.325 2.512 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814160 393749639 /nfs/dbraw/zinc/74/96/39/393749639.db2.gz WLDVQEIVDINTTL-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959969 393785571 /nfs/dbraw/zinc/78/55/71/393785571.db2.gz JYKQSUUPYDPFJV-RWMBFGLXSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959969 393785575 /nfs/dbraw/zinc/78/55/75/393785575.db2.gz JYKQSUUPYDPFJV-RWMBFGLXSA-N 1 1 277.368 2.728 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCCOC ZINC000418133288 394016784 /nfs/dbraw/zinc/01/67/84/394016784.db2.gz KHIHZWZECOLVEL-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352662197 394017239 /nfs/dbraw/zinc/01/72/39/394017239.db2.gz XJSCNFQLEVVXKC-CQDKDKBSSA-N 1 1 278.352 2.809 20 5 CFBDMO COCCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000418140530 394019722 /nfs/dbraw/zinc/01/97/22/394019722.db2.gz VQWNNTHYSXIVSK-UHFFFAOYSA-N 1 1 258.343 2.515 20 5 CFBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430215235 393968866 /nfs/dbraw/zinc/96/88/66/393968866.db2.gz CFMREVKWTUJMCO-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO CC(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265514179 393973873 /nfs/dbraw/zinc/97/38/73/393973873.db2.gz LAFFHUWAWFAZDB-UHFFFAOYSA-N 1 1 298.774 2.564 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000349972907 393974849 /nfs/dbraw/zinc/97/48/49/393974849.db2.gz UQRXIEPAHWTLLD-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430283761 393979688 /nfs/dbraw/zinc/97/96/88/393979688.db2.gz KNLAZPGHRJBHSX-GFCCVEGCSA-N 1 1 276.336 2.872 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833090 394047670 /nfs/dbraw/zinc/04/76/70/394047670.db2.gz MIBGABZQDBNOPJ-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[NH+](C)C(C)(C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228940 394060077 /nfs/dbraw/zinc/06/00/77/394060077.db2.gz JYCSYSCNCZITTK-HNNXBMFYSA-N 1 1 291.395 2.902 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000355693412 394069524 /nfs/dbraw/zinc/06/95/24/394069524.db2.gz XAKXACWRYOOXJM-AWEZNQCLSA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCC2CC2)C2CC2)cc1 ZINC000130591755 394114260 /nfs/dbraw/zinc/11/42/60/394114260.db2.gz QWCLBGZISGTTNY-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO CC1(C)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444612431 394145304 /nfs/dbraw/zinc/14/53/04/394145304.db2.gz RYNFWPJJPQFKDW-UHFFFAOYSA-N 1 1 274.324 2.846 20 5 CFBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000420995135 394149828 /nfs/dbraw/zinc/14/98/28/394149828.db2.gz DDXHKVGOAPVJQX-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000290637095 394232704 /nfs/dbraw/zinc/23/27/04/394232704.db2.gz HRAQZAVOCMEKFB-SECBINFHSA-N 1 1 286.763 2.784 20 5 CFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290777104 394233134 /nfs/dbraw/zinc/23/31/34/394233134.db2.gz MKNIZGHAHRRKQO-LSDHHAIUSA-N 1 1 290.363 2.749 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449419094 394276281 /nfs/dbraw/zinc/27/62/81/394276281.db2.gz GVIUQDZZKQULHS-RUCLMCIISA-N 1 1 290.363 2.701 20 5 CFBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635643 394282996 /nfs/dbraw/zinc/28/29/96/394282996.db2.gz UZYZIUQVBWUVMU-GJZGRUSLSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153587129 394286679 /nfs/dbraw/zinc/28/66/79/394286679.db2.gz ICOVQOLZVOISJN-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO CC(C)C[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450687850 394317996 /nfs/dbraw/zinc/31/79/96/394317996.db2.gz BLJLCAKDIVVQMB-NSHDSACASA-N 1 1 263.341 2.783 20 5 CFBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000156717049 394337952 /nfs/dbraw/zinc/33/79/52/394337952.db2.gz PEJSHZAPYJCRSC-GFCCVEGCSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194482 394364469 /nfs/dbraw/zinc/36/44/69/394364469.db2.gz JGWASPWJAHRFJS-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308640 394369701 /nfs/dbraw/zinc/36/97/01/394369701.db2.gz UJIRTFZIOFBGBM-MBNYWOFBSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000166308640 394369703 /nfs/dbraw/zinc/36/97/03/394369703.db2.gz UJIRTFZIOFBGBM-MBNYWOFBSA-N 1 1 289.379 2.871 20 5 CFBDMO COc1cc(C[NH+]2C3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000546620074 394833469 /nfs/dbraw/zinc/83/34/69/394833469.db2.gz DAMBWWGGZNLTFJ-UHFFFAOYSA-N 1 1 280.299 2.869 20 5 CFBDMO CC1(C)CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000547833707 394895161 /nfs/dbraw/zinc/89/51/61/394895161.db2.gz WFGZHFHURJMXMX-ZDUSSCGKSA-N 1 1 290.363 2.911 20 5 CFBDMO Cc1cccc(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000548114276 394912121 /nfs/dbraw/zinc/91/21/21/394912121.db2.gz HVRBAEKVUYUMNG-UHFFFAOYSA-N 1 1 273.292 2.789 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000608886377 395113738 /nfs/dbraw/zinc/11/37/38/395113738.db2.gz CZPUFZNUXBDOCX-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000307761976 397645516 /nfs/dbraw/zinc/64/55/16/397645516.db2.gz BSKLYUPHHDTADQ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000307761976 397645518 /nfs/dbraw/zinc/64/55/18/397645518.db2.gz BSKLYUPHHDTADQ-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000297711109 292294928 /nfs/dbraw/zinc/29/49/28/292294928.db2.gz BJFHXHKFAIIMHO-CYBMUJFWSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000297711109 292294929 /nfs/dbraw/zinc/29/49/29/292294929.db2.gz BJFHXHKFAIIMHO-CYBMUJFWSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C)CC1 ZINC000297711109 292294930 /nfs/dbraw/zinc/29/49/30/292294930.db2.gz BJFHXHKFAIIMHO-CYBMUJFWSA-N 1 1 277.368 2.602 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339618594 292296345 /nfs/dbraw/zinc/29/63/45/292296345.db2.gz HBAOWAMQMWTZIL-MCIONIFRSA-N 1 1 291.395 2.989 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)[C@H]1CCOC1 ZINC000361238962 156069692 /nfs/dbraw/zinc/06/96/92/156069692.db2.gz WLFDDXJYCOMJLO-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)[C@H]1CCOC1 ZINC000361238962 156069696 /nfs/dbraw/zinc/06/96/96/156069696.db2.gz WLFDDXJYCOMJLO-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CC1CCC2(CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000363139228 156152999 /nfs/dbraw/zinc/15/29/99/156152999.db2.gz MGRIRRQEHIRAPK-UHFFFAOYSA-N 1 1 292.383 2.731 20 5 CFBDMO Cc1c(C[N@H+]2CCOCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000363890105 156202651 /nfs/dbraw/zinc/20/26/51/156202651.db2.gz VKLXPHHGYAUMLD-UHFFFAOYSA-N 1 1 290.363 2.906 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367065974 156275397 /nfs/dbraw/zinc/27/53/97/156275397.db2.gz HQEROKHYJGYWKN-INIZCTEOSA-N 1 1 290.363 2.640 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCOCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000373816495 157034233 /nfs/dbraw/zinc/03/42/33/157034233.db2.gz UIEQMMGXEORQLA-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1cc(C[N@H+]2CCOCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000373816495 157034235 /nfs/dbraw/zinc/03/42/35/157034235.db2.gz UIEQMMGXEORQLA-GFCCVEGCSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374400082 157108368 /nfs/dbraw/zinc/10/83/68/157108368.db2.gz OPKHIXLLMFLMIG-RYUDHWBXSA-N 1 1 294.326 2.592 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1F ZINC000374906477 157171262 /nfs/dbraw/zinc/17/12/62/157171262.db2.gz AMDRULNSVFXMLD-IUODEOHRSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375243597 157211198 /nfs/dbraw/zinc/21/11/98/157211198.db2.gz ZJKMTPRRWYSDTN-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC12CCOCC2 ZINC000376463354 157358528 /nfs/dbraw/zinc/35/85/28/157358528.db2.gz LUVBACPRXQPRKZ-HWKANZROSA-N 1 1 288.347 2.863 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346175787 162340690 /nfs/dbraw/zinc/34/06/90/162340690.db2.gz HYFSEGKQAFDKGM-CHWSQXEVSA-N 1 1 277.368 2.509 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000346209976 162350759 /nfs/dbraw/zinc/35/07/59/162350759.db2.gz ONKOEVYCVLIFKG-MNOVXSKESA-N 1 1 283.397 2.571 20 5 CFBDMO Cc1cn[nH]c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352830245 163246126 /nfs/dbraw/zinc/24/61/26/163246126.db2.gz CMZRHCVFVWQQBT-UHFFFAOYSA-N 1 1 274.324 2.651 20 5 CFBDMO Cc1c[nH]nc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352830245 163246127 /nfs/dbraw/zinc/24/61/27/163246127.db2.gz CMZRHCVFVWQQBT-UHFFFAOYSA-N 1 1 274.324 2.651 20 5 CFBDMO Cn1ccnc1[C@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353383796 163355782 /nfs/dbraw/zinc/35/57/82/163355782.db2.gz GKWYNGPMCYYSIZ-CQSZACIVSA-N 1 1 286.335 2.560 20 5 CFBDMO C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392961 287030953 /nfs/dbraw/zinc/03/09/53/287030953.db2.gz OOUBJYBNERESBF-VXGBXAGGSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392961 287030955 /nfs/dbraw/zinc/03/09/55/287030955.db2.gz OOUBJYBNERESBF-VXGBXAGGSA-N 1 1 277.368 2.728 20 5 CFBDMO CC(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000020200978 171065054 /nfs/dbraw/zinc/06/50/54/171065054.db2.gz LVQZKSLCHWHEMP-INIZCTEOSA-N 1 1 291.395 2.805 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cs1 ZINC000284846530 196143346 /nfs/dbraw/zinc/14/33/46/196143346.db2.gz RIYUBQDNOYANAS-NEPJUHHUSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cs1 ZINC000284846530 196143348 /nfs/dbraw/zinc/14/33/48/196143348.db2.gz RIYUBQDNOYANAS-NEPJUHHUSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284932228 196160216 /nfs/dbraw/zinc/16/02/16/196160216.db2.gz WGGACUIERALFNF-HZPDHXFCSA-N 1 1 290.363 2.781 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000284944082 196162419 /nfs/dbraw/zinc/16/24/19/196162419.db2.gz WSSWLZUPOLDUOJ-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000035692068 172360495 /nfs/dbraw/zinc/36/04/95/172360495.db2.gz VXPAGKIXSMXJBO-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000285402938 196274012 /nfs/dbraw/zinc/27/40/12/196274012.db2.gz UCVCADXWIKVEPV-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000285402938 196274014 /nfs/dbraw/zinc/27/40/14/196274014.db2.gz UCVCADXWIKVEPV-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[C@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000038028739 174018775 /nfs/dbraw/zinc/01/87/75/174018775.db2.gz ODUZZSNGFBRPRV-CYBMUJFWSA-N 1 1 277.368 2.559 20 5 CFBDMO C[N@@H+](CCNCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000071376808 176141967 /nfs/dbraw/zinc/14/19/67/176141967.db2.gz DAOSNEIUGPBZCS-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000071376808 176141969 /nfs/dbraw/zinc/14/19/69/176141969.db2.gz DAOSNEIUGPBZCS-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093232585 263309945 /nfs/dbraw/zinc/30/99/45/263309945.db2.gz IUSAZAULDHPZAW-NEPJUHHUSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000518972127 265263335 /nfs/dbraw/zinc/26/33/35/265263335.db2.gz NMWQUTMZRXEMJG-KYOSRNDESA-N 1 1 276.336 2.767 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000396575123 270315414 /nfs/dbraw/zinc/31/54/14/270315414.db2.gz CERITAGTTZYFOW-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240144 270327804 /nfs/dbraw/zinc/32/78/04/270327804.db2.gz MGDIPSHUEWQEKP-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240144 270327806 /nfs/dbraw/zinc/32/78/06/270327806.db2.gz MGDIPSHUEWQEKP-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619683 270464202 /nfs/dbraw/zinc/46/42/02/270464202.db2.gz DCWGEOYAMKSWQB-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000827720310 782041924 /nfs/dbraw/zinc/04/19/24/782041924.db2.gz CAGPNZQLSVCNQP-TZMCWYRMSA-N 1 1 289.335 2.550 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000148565232 274395072 /nfs/dbraw/zinc/39/50/72/274395072.db2.gz ADALXPRBADQAAS-SCZZXKLOSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000364599596 275035305 /nfs/dbraw/zinc/03/53/05/275035305.db2.gz AKCOIEUABMQBRO-CYBMUJFWSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+]([C@H]3CCOC3)C2)cc1 ZINC000331534850 275037287 /nfs/dbraw/zinc/03/72/87/275037287.db2.gz XPVRBIMKIIDJMW-ZFWWWQNUSA-N 1 1 276.336 2.563 20 5 CFBDMO CC(C)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000343207418 276032923 /nfs/dbraw/zinc/03/29/23/276032923.db2.gz PZIAKTVGXKJRPO-CYBMUJFWSA-N 1 1 281.331 2.510 20 5 CFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291063071 276079054 /nfs/dbraw/zinc/07/90/54/276079054.db2.gz KHPOHAVSLCEFTA-BUUCAEBMSA-N 1 1 278.352 2.965 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000267531092 276234147 /nfs/dbraw/zinc/23/41/47/276234147.db2.gz KOSGTASIUKMGCJ-OLZOCXBDSA-N 1 1 275.352 2.658 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193086 278079029 /nfs/dbraw/zinc/07/90/29/278079029.db2.gz MFZFQBAQWOADNH-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363797820 279025550 /nfs/dbraw/zinc/02/55/50/279025550.db2.gz VVSLRDDKPFZIIQ-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000420319803 281022807 /nfs/dbraw/zinc/02/28/07/281022807.db2.gz POASBYLIXRTGCZ-AVGNSLFASA-N 1 1 277.368 2.633 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420314343 281022849 /nfs/dbraw/zinc/02/28/49/281022849.db2.gz VOZSHEFNIRAPBG-YXAMBPQSSA-N 1 1 289.379 2.633 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252920952 281078919 /nfs/dbraw/zinc/07/89/19/281078919.db2.gz GLFBKCASYKFCHF-TZMCWYRMSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278928 281210166 /nfs/dbraw/zinc/21/01/66/281210166.db2.gz ZCTSJYQGSFEYRE-ZJUUUORDSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278928 281210167 /nfs/dbraw/zinc/21/01/67/281210167.db2.gz ZCTSJYQGSFEYRE-ZJUUUORDSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000430239389 281232575 /nfs/dbraw/zinc/23/25/75/281232575.db2.gz MAFHEFIHTFJTIV-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000430239389 281232577 /nfs/dbraw/zinc/23/25/77/281232577.db2.gz MAFHEFIHTFJTIV-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000519564316 281308876 /nfs/dbraw/zinc/30/88/76/281308876.db2.gz WJVCEARTPRKKGH-SDDRHHMPSA-N 1 1 263.341 2.515 20 5 CFBDMO CCc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc(C)[nH+]1 ZINC000553143426 281871545 /nfs/dbraw/zinc/87/15/45/281871545.db2.gz KBKBGTJNXQFZOK-UHFFFAOYSA-N 1 1 298.346 2.818 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000563082030 290101742 /nfs/dbraw/zinc/10/17/42/290101742.db2.gz UEKLKRZBIASWNL-LBPRGKRZSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000563082030 290101743 /nfs/dbraw/zinc/10/17/43/290101743.db2.gz UEKLKRZBIASWNL-LBPRGKRZSA-N 1 1 276.336 2.738 20 5 CFBDMO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416690 290146314 /nfs/dbraw/zinc/14/63/14/290146314.db2.gz INIXRJAGOCMBHY-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO CN1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416690 290146317 /nfs/dbraw/zinc/14/63/17/290146317.db2.gz INIXRJAGOCMBHY-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO COc1ccncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416258 290146332 /nfs/dbraw/zinc/14/63/32/290146332.db2.gz HOKUVCJQDPOOGC-AWEZNQCLSA-N 1 1 299.330 2.776 20 5 CFBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564329994 290203762 /nfs/dbraw/zinc/20/37/62/290203762.db2.gz IRAYVICMHMMELZ-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000564365304 290206136 /nfs/dbraw/zinc/20/61/36/290206136.db2.gz XYFASZTVZIPWNY-AWEZNQCLSA-N 1 1 291.395 2.867 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565539321 290308294 /nfs/dbraw/zinc/30/82/94/290308294.db2.gz ZYBWDYBKZDMZTP-OAHLLOKOSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301988759 301337075 /nfs/dbraw/zinc/33/70/75/301337075.db2.gz WJKYPJAQKUAMHU-CZUORRHYSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn(C)n1 ZINC000575072398 322717386 /nfs/dbraw/zinc/71/73/86/322717386.db2.gz ZSQIEWOCYHCABK-QMTHXVAHSA-N 1 1 286.335 2.666 20 5 CFBDMO CC(C)c1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000575180803 322720960 /nfs/dbraw/zinc/72/09/60/322720960.db2.gz DDVKAOKKFOVHLZ-NWDGAFQWSA-N 1 1 279.384 2.934 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000581301999 325108707 /nfs/dbraw/zinc/10/87/07/325108707.db2.gz OOEKEKYVPUIXCG-LLVKDONJSA-N 1 1 291.351 2.572 20 5 CFBDMO CC(F)(F)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581707399 325144079 /nfs/dbraw/zinc/14/40/79/325144079.db2.gz VEZXATAUDDPPQE-UHFFFAOYSA-N 1 1 270.279 2.998 20 5 CFBDMO CC(F)(F)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581707399 325144081 /nfs/dbraw/zinc/14/40/81/325144081.db2.gz VEZXATAUDDPPQE-UHFFFAOYSA-N 1 1 270.279 2.998 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000581877768 325155822 /nfs/dbraw/zinc/15/58/22/325155822.db2.gz FVYDAWACCALRDV-CQSZACIVSA-N 1 1 290.363 2.783 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557180 325215646 /nfs/dbraw/zinc/21/56/46/325215646.db2.gz VFKMTQNIQUAKEG-CQSZACIVSA-N 1 1 277.368 2.514 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000583082156 325258905 /nfs/dbraw/zinc/25/89/05/325258905.db2.gz HXNRMTQVNKDGAO-ZBFHGGJFSA-N 1 1 290.363 2.986 20 5 CFBDMO CCn1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000583273273 325274611 /nfs/dbraw/zinc/27/46/11/325274611.db2.gz LKYLHMMCNHRCRF-AWEZNQCLSA-N 1 1 286.335 2.588 20 5 CFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000055901394 521041103 /nfs/dbraw/zinc/04/11/03/521041103.db2.gz AFJHHPTXGQLOFZ-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ccccc1[N+](=O)[O-] ZINC000080677959 521610342 /nfs/dbraw/zinc/61/03/42/521610342.db2.gz HFOVZLFAMSOFEG-UHFFFAOYSA-N 1 1 251.330 2.739 20 5 CFBDMO C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000414855017 533788369 /nfs/dbraw/zinc/78/83/69/533788369.db2.gz MRAXQHZIJQBUMZ-KSLFURFDSA-N 1 1 289.379 2.586 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000426525979 533823610 /nfs/dbraw/zinc/82/36/10/533823610.db2.gz SWYHZUTVVMQOAS-OLZOCXBDSA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1ccc(C[NH2+]C[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000414832667 534066834 /nfs/dbraw/zinc/06/68/34/534066834.db2.gz OOBCBIIGKLRJOF-HNNXBMFYSA-N 1 1 285.347 2.693 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652956 519836045 /nfs/dbraw/zinc/83/60/45/519836045.db2.gz HCRIOXQCPUBKSU-GXTWGEPZSA-N 1 1 292.379 2.778 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081537255 520132160 /nfs/dbraw/zinc/13/21/60/520132160.db2.gz MUDXCOACYIEVFK-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072859482 520249649 /nfs/dbraw/zinc/24/96/49/520249649.db2.gz RUVNSTIUJYISPE-LBPRGKRZSA-N 1 1 295.358 2.508 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361239649 520291601 /nfs/dbraw/zinc/29/16/01/520291601.db2.gz WSDQYZKQGFCVFH-VSKVDJIOSA-N 1 1 276.336 2.719 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359111407 521659745 /nfs/dbraw/zinc/65/97/45/521659745.db2.gz VOOZNGUZTOYHHF-LBPRGKRZSA-N 1 1 278.356 2.503 20 5 CFBDMO CCc1nc(N(C)Cc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000339970201 522238403 /nfs/dbraw/zinc/23/84/03/522238403.db2.gz BDVCZDXLBKVOPN-UHFFFAOYSA-N 1 1 286.335 2.892 20 5 CFBDMO CC[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274751 522861726 /nfs/dbraw/zinc/86/17/26/522861726.db2.gz DGDOPIIGZJVSSU-HZPDHXFCSA-N 1 1 291.395 2.976 20 5 CFBDMO CCc1nocc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000339371185 522948416 /nfs/dbraw/zinc/94/84/16/522948416.db2.gz JQDOHVOGBSUXAN-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159456188 523231361 /nfs/dbraw/zinc/23/13/61/523231361.db2.gz XMLKUEXZBUIOMF-FZMZJTMJSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cccc(NCCNc2nccc(C)c2[N+](=O)[O-])[nH+]1 ZINC000360280411 524677671 /nfs/dbraw/zinc/67/76/71/524677671.db2.gz VRHWQEFAVGQVGV-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO Cc1cccc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000218852581 524681410 /nfs/dbraw/zinc/68/14/10/524681410.db2.gz CBPSWUCLVGENPX-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000158238105 525268879 /nfs/dbraw/zinc/26/88/79/525268879.db2.gz KBDCWSIVRVCAAZ-PWSUYJOCSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703815 525352711 /nfs/dbraw/zinc/35/27/11/525352711.db2.gz BBLFBEZZRZLULC-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703815 525352717 /nfs/dbraw/zinc/35/27/17/525352717.db2.gz BBLFBEZZRZLULC-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000338646890 525450378 /nfs/dbraw/zinc/45/03/78/525450378.db2.gz MOEQSLCBCYIMJZ-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)cccc1[N+](=O)[O-] ZINC000334787895 525709104 /nfs/dbraw/zinc/70/91/04/525709104.db2.gz IXZVDZOCLLEDOX-RYUDHWBXSA-N 1 1 264.350 2.593 20 5 CFBDMO O=[N+]([O-])c1ccc2ccnc(NCC[N@@H+]3CC=CCC3)c2c1 ZINC000413272144 534884826 /nfs/dbraw/zinc/88/48/26/534884826.db2.gz TWMFFCOZELGQGA-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168536963 525940149 /nfs/dbraw/zinc/94/01/49/525940149.db2.gz NVVBGZKZJLJBEZ-NEPJUHHUSA-N 1 1 265.357 2.504 20 5 CFBDMO COc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000037680670 526025878 /nfs/dbraw/zinc/02/58/78/526025878.db2.gz CVYPDPWZGAMEEK-UHFFFAOYSA-N 1 1 278.333 2.955 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000067446457 526085396 /nfs/dbraw/zinc/08/53/96/526085396.db2.gz FSGRXURXMOBMDD-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)C ZINC000339254532 526146414 /nfs/dbraw/zinc/14/64/14/526146414.db2.gz NVVZMJJLWSMWBV-LLVKDONJSA-N 1 1 293.367 2.900 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccncc1)CC2 ZINC000088607305 527378478 /nfs/dbraw/zinc/37/84/78/527378478.db2.gz IGOUBABAHIFUOX-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305234631 527401342 /nfs/dbraw/zinc/40/13/42/527401342.db2.gz NCUTXJZSZZQVGS-KRWDZBQOSA-N 1 1 298.342 2.518 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000364328645 527417613 /nfs/dbraw/zinc/41/76/13/527417613.db2.gz OJGOLGIXCMXMAY-KGLIPLIRSA-N 1 1 290.367 2.785 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815351 527980821 /nfs/dbraw/zinc/98/08/21/527980821.db2.gz FCGMYJIEEZLBCM-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCN(CC)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815351 527980826 /nfs/dbraw/zinc/98/08/26/527980826.db2.gz FCGMYJIEEZLBCM-CYBMUJFWSA-N 1 1 279.384 2.977 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851513 528308163 /nfs/dbraw/zinc/30/81/63/528308163.db2.gz OZLIHBOXGPRSDI-DYLGSBMWSA-N 1 1 277.368 2.571 20 5 CFBDMO CC[NH2+]CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847523 528336076 /nfs/dbraw/zinc/33/60/76/528336076.db2.gz OWAVEXIBXCIJES-ZFWWWQNUSA-N 1 1 291.395 2.505 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270055 528517544 /nfs/dbraw/zinc/51/75/44/528517544.db2.gz WKERBAJYKDCYDQ-WCQYABFASA-N 1 1 265.357 2.619 20 5 CFBDMO CCCC[C@@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811092 528818087 /nfs/dbraw/zinc/81/80/87/528818087.db2.gz IVBHJWSICJPSKC-OWNNVSBGSA-N 1 1 277.368 2.715 20 5 CFBDMO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000116279095 528939336 /nfs/dbraw/zinc/93/93/36/528939336.db2.gz SQZUJNVUUJKPHW-JTQLQIEISA-N 1 1 286.759 2.839 20 5 CFBDMO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422842960 529203274 /nfs/dbraw/zinc/20/32/74/529203274.db2.gz ZWOZNQVDXAQHNC-UKRRQHHQSA-N 1 1 277.368 2.778 20 5 CFBDMO CC(C)c1ccc(C[NH+]2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000459593845 535371088 /nfs/dbraw/zinc/37/10/88/535371088.db2.gz PNMYHTWUAAIDTR-UHFFFAOYSA-N 1 1 278.352 2.532 20 5 CFBDMO Cc1c(C[NH+]2CC3(CC(F)C3)C2)cccc1[N+](=O)[O-] ZINC000753863176 574052390 /nfs/dbraw/zinc/05/23/90/574052390.db2.gz VKQNQYKOIHEZJV-UHFFFAOYSA-N 1 1 264.300 2.837 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209743 574112681 /nfs/dbraw/zinc/11/26/81/574112681.db2.gz YBMWFLIMGONSBW-SNVBAGLBSA-N 1 1 292.364 2.711 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755922755 574198295 /nfs/dbraw/zinc/19/82/95/574198295.db2.gz JFEGDIOQBJKDLW-GFCCVEGCSA-N 1 1 288.351 2.880 20 5 CFBDMO CCCC[N@@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749940661 574317450 /nfs/dbraw/zinc/31/74/50/574317450.db2.gz MEYOZWHHIWBJBJ-UHFFFAOYSA-N 1 1 291.355 2.727 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@@H]1C ZINC000934297534 617990408 /nfs/dbraw/zinc/99/04/08/617990408.db2.gz CCLXETOPTJITDB-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000892101939 617949749 /nfs/dbraw/zinc/94/97/49/617949749.db2.gz OYEFVHXQSJBENV-NXEZZACHSA-N 1 1 280.324 2.539 20 5 CFBDMO C[C@@H]1CSCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000934303327 617993675 /nfs/dbraw/zinc/99/36/75/617993675.db2.gz LPXINFJWLXIRSL-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000934303327 617993677 /nfs/dbraw/zinc/99/36/77/617993677.db2.gz LPXINFJWLXIRSL-SECBINFHSA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235284 618176283 /nfs/dbraw/zinc/17/62/83/618176283.db2.gz JYKQSUUPYDPFJV-XQQFMLRXSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235284 618176285 /nfs/dbraw/zinc/17/62/85/618176285.db2.gz JYKQSUUPYDPFJV-XQQFMLRXSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000090794978 618195335 /nfs/dbraw/zinc/19/53/35/618195335.db2.gz NROUNMRJLWEAQR-ZJUUUORDSA-N 1 1 267.304 2.629 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[C@@H](C)[NH+](C)C ZINC000895292518 618514939 /nfs/dbraw/zinc/51/49/39/618514939.db2.gz CXNBLTOJWWELGH-QLKUMGTLSA-N 1 1 291.395 2.928 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000930562579 618865213 /nfs/dbraw/zinc/86/52/13/618865213.db2.gz ZCKKMROTOOWTBD-GFCCVEGCSA-N 1 1 286.784 2.783 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000930562579 618865215 /nfs/dbraw/zinc/86/52/15/618865215.db2.gz ZCKKMROTOOWTBD-GFCCVEGCSA-N 1 1 286.784 2.783 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000093097809 618979315 /nfs/dbraw/zinc/97/93/15/618979315.db2.gz NAGIBFJFZIRTAL-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093097809 618979316 /nfs/dbraw/zinc/97/93/16/618979316.db2.gz NAGIBFJFZIRTAL-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049011279 619047738 /nfs/dbraw/zinc/04/77/38/619047738.db2.gz HCZXWERGONJPMH-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049011279 619047741 /nfs/dbraw/zinc/04/77/41/619047741.db2.gz HCZXWERGONJPMH-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCC1(CC)C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894819242 619472892 /nfs/dbraw/zinc/47/28/92/619472892.db2.gz JICCEOYWMDBCSD-UHFFFAOYSA-N 1 1 294.351 2.931 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880300547 619474708 /nfs/dbraw/zinc/47/47/08/619474708.db2.gz GUHDMXXEUUIOSF-LBPRGKRZSA-N 1 1 252.289 2.695 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737281 619597302 /nfs/dbraw/zinc/59/73/02/619597302.db2.gz PCAPUGFVMMWNJK-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737245 619597567 /nfs/dbraw/zinc/59/75/67/619597567.db2.gz OEHUZGJBEYEHME-HZMBPMFUSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000895738709 619598503 /nfs/dbraw/zinc/59/85/03/619598503.db2.gz YQTZZPAPAPMRPH-GWCFXTLKSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000895738710 619598532 /nfs/dbraw/zinc/59/85/32/619598532.db2.gz YQTZZPAPAPMRPH-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO CC(C)c1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1F ZINC000895987374 619649569 /nfs/dbraw/zinc/64/95/69/619649569.db2.gz DDUKIZWMWYUIDW-UHFFFAOYSA-N 1 1 293.302 2.561 20 5 CFBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])c(C)n2)[nH+]c1 ZINC000896456319 619742025 /nfs/dbraw/zinc/74/20/25/619742025.db2.gz SMGBWZUXUZXLPB-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000923887070 620425510 /nfs/dbraw/zinc/42/55/10/620425510.db2.gz CUNLTZWSOPFBKQ-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000923887070 620425512 /nfs/dbraw/zinc/42/55/12/620425512.db2.gz CUNLTZWSOPFBKQ-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432726 621078360 /nfs/dbraw/zinc/07/83/60/621078360.db2.gz XAMDMSRMMSPFIP-IPYPFGDCSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000902432728 621078516 /nfs/dbraw/zinc/07/85/16/621078516.db2.gz XAMDMSRMMSPFIP-NFAWXSAZSA-N 1 1 291.395 2.819 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000902650382 621143424 /nfs/dbraw/zinc/14/34/24/621143424.db2.gz ONRMZVHKDSCFEW-FZMZJTMJSA-N 1 1 286.335 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4CCC[C@@H]43)c2c1 ZINC000902649871 621143577 /nfs/dbraw/zinc/14/35/77/621143577.db2.gz GVXJCGUROCLQEV-FZMZJTMJSA-N 1 1 286.335 2.776 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903288730 621319472 /nfs/dbraw/zinc/31/94/72/621319472.db2.gz NXZGUIUNGVLBSU-GXFFZTMASA-N 1 1 272.308 2.587 20 5 CFBDMO CO[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000821342148 622899297 /nfs/dbraw/zinc/89/92/97/622899297.db2.gz KZRIWRRVDCTDEQ-STQMWFEESA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000226818377 623090238 /nfs/dbraw/zinc/09/02/38/623090238.db2.gz XBCVHRMXTRQPEI-CYBMUJFWSA-N 1 1 269.304 2.767 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156663 623265461 /nfs/dbraw/zinc/26/54/61/623265461.db2.gz RDSLBJCXQUYKKC-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388370 623345743 /nfs/dbraw/zinc/34/57/43/623345743.db2.gz ZJBQFVPEWHSJDR-DGCLKSJQSA-N 1 1 266.345 2.649 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761086292 623708562 /nfs/dbraw/zinc/70/85/62/623708562.db2.gz NMTUZZKSWVETPK-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761086292 623708565 /nfs/dbraw/zinc/70/85/65/623708565.db2.gz NMTUZZKSWVETPK-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])cc1F ZINC000915664543 624092887 /nfs/dbraw/zinc/09/28/87/624092887.db2.gz LRQBXYKVSGGGLK-LLVKDONJSA-N 1 1 282.315 2.987 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193725730 624095616 /nfs/dbraw/zinc/09/56/16/624095616.db2.gz QHMFXEGULDSVEP-VIFPVBQESA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263945 624942446 /nfs/dbraw/zinc/94/24/46/624942446.db2.gz AQLIZVHVBJIWLS-IUODEOHRSA-N 1 1 286.335 2.627 20 5 CFBDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000921561996 625989522 /nfs/dbraw/zinc/98/95/22/625989522.db2.gz FRHDEHBTIHBQDD-UHFFFAOYSA-N 1 1 294.742 2.824 20 5 CFBDMO C[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000922540845 626306291 /nfs/dbraw/zinc/30/62/91/626306291.db2.gz LYVWCVNWAOHIHL-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO Cc1ncoc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922542655 626306735 /nfs/dbraw/zinc/30/67/35/626306735.db2.gz WUOLBKGBFKRSSR-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000922542332 626306919 /nfs/dbraw/zinc/30/69/19/626306919.db2.gz VCAMEFORLVAVMG-LLVKDONJSA-N 1 1 274.324 2.786 20 5 CFBDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068371 626482965 /nfs/dbraw/zinc/48/29/65/626482965.db2.gz WTSRELBTOMNMOK-SNVBAGLBSA-N 1 1 269.370 2.563 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCCCCO)C2 ZINC000757167224 626546117 /nfs/dbraw/zinc/54/61/17/626546117.db2.gz CDVIJWUJAOERCV-UHFFFAOYSA-N 1 1 278.352 2.506 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669290 626551624 /nfs/dbraw/zinc/55/16/24/626551624.db2.gz NPVKDCWFPNFDMC-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669290 626551625 /nfs/dbraw/zinc/55/16/25/626551625.db2.gz NPVKDCWFPNFDMC-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669356 626551682 /nfs/dbraw/zinc/55/16/82/626551682.db2.gz OVRVSJVCGLYOCC-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669356 626551683 /nfs/dbraw/zinc/55/16/83/626551683.db2.gz OVRVSJVCGLYOCC-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675460 626551817 /nfs/dbraw/zinc/55/18/17/626551817.db2.gz PJAVSFMAWWIPKH-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675460 626551818 /nfs/dbraw/zinc/55/18/18/626551818.db2.gz PJAVSFMAWWIPKH-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000765640994 627152279 /nfs/dbraw/zinc/15/22/79/627152279.db2.gz IRQBBOHXSFYCIS-VXGBXAGGSA-N 1 1 263.341 2.514 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC(F)F)C1CC1 ZINC000851860702 634562536 /nfs/dbraw/zinc/56/25/36/634562536.db2.gz KTMWMBUAXKGUNP-UHFFFAOYSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC(F)F)C1CC1 ZINC000851860702 634562539 /nfs/dbraw/zinc/56/25/39/634562539.db2.gz KTMWMBUAXKGUNP-UHFFFAOYSA-N 1 1 286.278 2.798 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770275 627370183 /nfs/dbraw/zinc/37/01/83/627370183.db2.gz HLBSRYVHICTYHN-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459445 627605804 /nfs/dbraw/zinc/60/58/04/627605804.db2.gz KHMRGLCBTWKWDW-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459423 627605955 /nfs/dbraw/zinc/60/59/55/627605955.db2.gz JYIMWWCIQBNBIR-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO C[N@H+](Cc1ccsc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272254 628125149 /nfs/dbraw/zinc/12/51/49/628125149.db2.gz SDFCGLDFAKXSQP-AWEZNQCLSA-N 1 1 292.360 2.822 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273941 628125235 /nfs/dbraw/zinc/12/52/35/628125235.db2.gz FLSFAECKGYWHPV-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000776578669 628160707 /nfs/dbraw/zinc/16/07/07/628160707.db2.gz HMBDZHKFHSCDFL-OAHLLOKOSA-N 1 1 290.363 2.749 20 5 CFBDMO CC1(C)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583010 628161460 /nfs/dbraw/zinc/16/14/60/628161460.db2.gz YLBDSEOLUGMPIB-CYBMUJFWSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591257 628162108 /nfs/dbraw/zinc/16/21/08/628162108.db2.gz IKQBBZKGMVVVOZ-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO CC(C)(C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000805612634 628323856 /nfs/dbraw/zinc/32/38/56/628323856.db2.gz VTVZOYRWTJAECD-UHFFFAOYSA-N 1 1 292.335 2.512 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584257 628562047 /nfs/dbraw/zinc/56/20/47/628562047.db2.gz PFATYVNSKWUBNY-RISCZKNCSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000781584257 628562048 /nfs/dbraw/zinc/56/20/48/628562048.db2.gz PFATYVNSKWUBNY-RISCZKNCSA-N 1 1 278.356 2.569 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981953 628594747 /nfs/dbraw/zinc/59/47/47/628594747.db2.gz LZMMMDPLUJRYOK-GDBMZVCRSA-N 1 1 292.379 2.996 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783563518 628720798 /nfs/dbraw/zinc/72/07/98/628720798.db2.gz XUKREOBTXRXZAO-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000784007098 628762098 /nfs/dbraw/zinc/76/20/98/628762098.db2.gz IUIJRHHQTUNATO-SNVBAGLBSA-N 1 1 280.372 2.734 20 5 CFBDMO Cc1nn(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000784007098 628762101 /nfs/dbraw/zinc/76/21/01/628762101.db2.gz IUIJRHHQTUNATO-SNVBAGLBSA-N 1 1 280.372 2.734 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ncccc1O ZINC000793255335 629515528 /nfs/dbraw/zinc/51/55/28/629515528.db2.gz HCXHTKICANCFOV-UHFFFAOYSA-N 1 1 293.710 2.639 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533453 634772805 /nfs/dbraw/zinc/77/28/05/634772805.db2.gz UWVUEALCOSQIJN-DOMZBBRYSA-N 1 1 296.342 2.700 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718362 631270505 /nfs/dbraw/zinc/27/05/05/631270505.db2.gz SZSQJLXDSALPFZ-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000842167184 631559335 /nfs/dbraw/zinc/55/93/35/631559335.db2.gz SDUHQEMMJANQNJ-BLTAXRJOSA-N 1 1 278.352 2.605 20 5 CFBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000811821881 631628295 /nfs/dbraw/zinc/62/82/95/631628295.db2.gz UEZWBYGCQXPMHU-HUUCEWRRSA-N 1 1 290.363 2.749 20 5 CFBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000812781035 631773232 /nfs/dbraw/zinc/77/32/32/631773232.db2.gz YETWCBMEGHTCDG-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000812781035 631773238 /nfs/dbraw/zinc/77/32/38/631773238.db2.gz YETWCBMEGHTCDG-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000812908207 631805993 /nfs/dbraw/zinc/80/59/93/631805993.db2.gz HCQBGHSHIWYYFG-ZDUSSCGKSA-N 1 1 296.367 2.721 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471956 632224792 /nfs/dbraw/zinc/22/47/92/632224792.db2.gz UNYOBVGCJXRXRY-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471956 632224795 /nfs/dbraw/zinc/22/47/95/632224795.db2.gz UNYOBVGCJXRXRY-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628051 632300927 /nfs/dbraw/zinc/30/09/27/632300927.db2.gz PWYRJGQJEDDHAW-RYUDHWBXSA-N 1 1 294.399 2.556 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628051 632300931 /nfs/dbraw/zinc/30/09/31/632300931.db2.gz PWYRJGQJEDDHAW-RYUDHWBXSA-N 1 1 294.399 2.556 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660717 632507643 /nfs/dbraw/zinc/50/76/43/632507643.db2.gz MZSCHVWNQZOWOL-GFCCVEGCSA-N 1 1 297.786 2.774 20 5 CFBDMO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000817291039 632596815 /nfs/dbraw/zinc/59/68/15/632596815.db2.gz MEPRXOKNTPQFSY-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000848507081 633268087 /nfs/dbraw/zinc/26/80/87/633268087.db2.gz UCDKKKFEPDEQGB-CYBMUJFWSA-N 1 1 278.356 2.794 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(F)n1 ZINC000848535999 633281518 /nfs/dbraw/zinc/28/15/18/633281518.db2.gz MOHIXUBETZZRIH-CYBMUJFWSA-N 1 1 287.294 2.906 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850368836 633958184 /nfs/dbraw/zinc/95/81/84/633958184.db2.gz FISYXUBYCKAOHA-GDBMZVCRSA-N 1 1 284.315 2.863 20 5 CFBDMO CC(C)CC(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853660066 635064899 /nfs/dbraw/zinc/06/48/99/635064899.db2.gz RKBVBXAMDUJFLC-UHFFFAOYSA-N 1 1 269.276 2.778 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000157127188 650213794 /nfs/dbraw/zinc/21/37/94/650213794.db2.gz TVZVLCADFDACID-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857857489 636035925 /nfs/dbraw/zinc/03/59/25/636035925.db2.gz VAQQIUUBFNHTJM-CYBMUJFWSA-N 1 1 286.335 2.528 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858781225 636344961 /nfs/dbraw/zinc/34/49/61/636344961.db2.gz QSZIUEJWSMZDFS-CYBMUJFWSA-N 1 1 290.367 2.606 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000865925287 638659943 /nfs/dbraw/zinc/65/99/43/638659943.db2.gz IFEYICKEEQCNBY-GFCCVEGCSA-N 1 1 263.341 2.515 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)c(Cl)c1 ZINC000865936715 638666472 /nfs/dbraw/zinc/66/64/72/638666472.db2.gz FYNILKYYJUISGE-UHFFFAOYSA-N 1 1 281.743 2.533 20 5 CFBDMO Cc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000866181805 638764761 /nfs/dbraw/zinc/76/47/61/638764761.db2.gz MWAGPZMIWVVLJL-UHFFFAOYSA-N 1 1 272.308 2.922 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000866194806 638767205 /nfs/dbraw/zinc/76/72/05/638767205.db2.gz KHTINCPZSFDVES-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000866194806 638767207 /nfs/dbraw/zinc/76/72/07/638767207.db2.gz KHTINCPZSFDVES-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO Cc1ccnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866195104 638768029 /nfs/dbraw/zinc/76/80/29/638768029.db2.gz NDDVGZLXWZWYEE-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866195104 638768030 /nfs/dbraw/zinc/76/80/30/638768030.db2.gz NDDVGZLXWZWYEE-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866704696 638868104 /nfs/dbraw/zinc/86/81/04/638868104.db2.gz WTZDPGJPBOYKQN-INIZCTEOSA-N 1 1 291.395 2.792 20 5 CFBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000871764453 641447100 /nfs/dbraw/zinc/44/71/00/641447100.db2.gz JRQAOMMCNNWPSV-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO Cc1ccc(CO[NH+]=C(N)C2CCC2)cc1[N+](=O)[O-] ZINC000871766860 641449922 /nfs/dbraw/zinc/44/99/22/641449922.db2.gz DSNKJZIKKKIGKE-UHFFFAOYSA-N 1 1 263.297 2.702 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025941 641556502 /nfs/dbraw/zinc/55/65/02/641556502.db2.gz WBBGXIZRNZPQOG-RYUDHWBXSA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@H]([NH2+]CCOC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872064358 641596777 /nfs/dbraw/zinc/59/67/77/641596777.db2.gz GEKLMFJOZBSPBM-ZETCQYMHSA-N 1 1 296.220 2.921 20 5 CFBDMO C[C@@H]([NH2+]CCOCC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872065373 641597858 /nfs/dbraw/zinc/59/78/58/641597858.db2.gz ZOVPEBRVMXUSSA-MRVPVSSYSA-N 1 1 292.257 2.666 20 5 CFBDMO C[C@H](NCC[N@H+]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069731 641601259 /nfs/dbraw/zinc/60/12/59/641601259.db2.gz UBOKHLFYFNTZEX-LBPRGKRZSA-N 1 1 293.342 2.646 20 5 CFBDMO C[C@H](NCC[N@@H+]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069731 641601261 /nfs/dbraw/zinc/60/12/61/641601261.db2.gz UBOKHLFYFNTZEX-LBPRGKRZSA-N 1 1 293.342 2.646 20 5 CFBDMO Cc1nn(C[N@H+](C)C[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818144 641946039 /nfs/dbraw/zinc/94/60/39/641946039.db2.gz GZJGSMVCAUKJKR-SNVBAGLBSA-N 1 1 282.388 2.980 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020043 641986524 /nfs/dbraw/zinc/98/65/24/641986524.db2.gz BZGBSDVIEYDORC-CQSZACIVSA-N 1 1 291.395 2.725 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029532 641989406 /nfs/dbraw/zinc/98/94/06/641989406.db2.gz JUEABOHPZQOXLY-AWEZNQCLSA-N 1 1 291.395 2.725 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000876751417 642993787 /nfs/dbraw/zinc/99/37/87/642993787.db2.gz YPAOCOQGXIHKOK-TZMCWYRMSA-N 1 1 292.379 2.947 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000877461254 643281762 /nfs/dbraw/zinc/28/17/62/643281762.db2.gz CMFOXZFZDXXFLE-HNNXBMFYSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000877630989 643414884 /nfs/dbraw/zinc/41/48/84/643414884.db2.gz MBULPJOUPBJDON-BBRMVZONSA-N 1 1 290.363 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000877638583 643423824 /nfs/dbraw/zinc/42/38/24/643423824.db2.gz ZQOFYVHHTPYDRX-UONOGXRCSA-N 1 1 290.363 2.680 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879317870 644223021 /nfs/dbraw/zinc/22/30/21/644223021.db2.gz MUQCIZYWHKUVEU-BXUZGUMPSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879317870 644223024 /nfs/dbraw/zinc/22/30/24/644223024.db2.gz MUQCIZYWHKUVEU-BXUZGUMPSA-N 1 1 294.351 2.603 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318285 644223361 /nfs/dbraw/zinc/22/33/61/644223361.db2.gz SKGWNGFQCKAUQH-AAEUAGOBSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319533 644223907 /nfs/dbraw/zinc/22/39/07/644223907.db2.gz WVKOSPILLGKECX-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879555638 644316366 /nfs/dbraw/zinc/31/63/66/644316366.db2.gz AILIJIOMTKVYMT-CMPLNLGQSA-N 1 1 296.367 2.919 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616668 644350495 /nfs/dbraw/zinc/35/04/95/644350495.db2.gz IDQNGAGWRAWAKN-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880109127 644535464 /nfs/dbraw/zinc/53/54/64/644535464.db2.gz QSQIOTIELJOWAN-SNVBAGLBSA-N 1 1 290.298 2.683 20 5 CFBDMO Cc1c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000880132060 644542288 /nfs/dbraw/zinc/54/22/88/644542288.db2.gz MZRYENAEDFGYHO-HOTGVXAUSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132060 644542293 /nfs/dbraw/zinc/54/22/93/644542293.db2.gz MZRYENAEDFGYHO-HOTGVXAUSA-N 1 1 289.379 2.572 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000880132060 644542297 /nfs/dbraw/zinc/54/22/97/644542297.db2.gz MZRYENAEDFGYHO-HOTGVXAUSA-N 1 1 289.379 2.572 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880144916 644553389 /nfs/dbraw/zinc/55/33/89/644553389.db2.gz FZSWFVXFBZTLOO-NEPJUHHUSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])cc1F ZINC000880299203 644639065 /nfs/dbraw/zinc/63/90/65/644639065.db2.gz PYFVDJITLAMLBY-VIFPVBQESA-N 1 1 286.278 2.534 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])cc1F ZINC000880299203 644639070 /nfs/dbraw/zinc/63/90/70/644639070.db2.gz PYFVDJITLAMLBY-VIFPVBQESA-N 1 1 286.278 2.534 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774309 650963227 /nfs/dbraw/zinc/96/32/27/650963227.db2.gz UCMRCGXHGZFAQV-VIFPVBQESA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252191583 650999765 /nfs/dbraw/zinc/99/97/65/650999765.db2.gz RROUQRDLOSBSDY-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](CF)C3)c2c1 ZINC000882838208 645474106 /nfs/dbraw/zinc/47/41/06/645474106.db2.gz APPQGZVHPXADIM-SNVBAGLBSA-N 1 1 275.283 2.939 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000882959162 645529198 /nfs/dbraw/zinc/52/91/98/645529198.db2.gz XBDWXQGNBPKDHZ-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000882959329 645530249 /nfs/dbraw/zinc/53/02/49/645530249.db2.gz COERUVGGRLEFJT-ZDUSSCGKSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000882961055 645531597 /nfs/dbraw/zinc/53/15/97/645531597.db2.gz DCAPTQRXTFJBNQ-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO CC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234292 646495103 /nfs/dbraw/zinc/49/51/03/646495103.db2.gz OABFEIYMXBTJEA-UHFFFAOYSA-N 1 1 262.309 2.538 20 5 CFBDMO CC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234292 646495105 /nfs/dbraw/zinc/49/51/05/646495105.db2.gz OABFEIYMXBTJEA-UHFFFAOYSA-N 1 1 262.309 2.538 20 5 CFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000885967355 646788141 /nfs/dbraw/zinc/78/81/41/646788141.db2.gz MRJPCXBVGULWOU-NSHDSACASA-N 1 1 251.330 2.856 20 5 CFBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027780 646827064 /nfs/dbraw/zinc/82/70/64/646827064.db2.gz ILOQECQYJJLJGR-WFASDCNBSA-N 1 1 293.367 2.625 20 5 CFBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027780 646827066 /nfs/dbraw/zinc/82/70/66/646827066.db2.gz ILOQECQYJJLJGR-WFASDCNBSA-N 1 1 293.367 2.625 20 5 CFBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105129 646874513 /nfs/dbraw/zinc/87/45/13/646874513.db2.gz SNXYZRQGOGGNMN-NSHDSACASA-N 1 1 269.370 2.563 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133875 646888461 /nfs/dbraw/zinc/88/84/61/646888461.db2.gz CZUNODJYDGRYPA-NSHDSACASA-N 1 1 263.341 2.858 20 5 CFBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000886168716 646904958 /nfs/dbraw/zinc/90/49/58/646904958.db2.gz XOSWJOLFYOZZFZ-OCCSQVGLSA-N 1 1 293.367 2.627 20 5 CFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000886213750 646923700 /nfs/dbraw/zinc/92/37/00/646923700.db2.gz ZWGPKGXWBOVXQD-UHFFFAOYSA-N 1 1 251.330 2.858 20 5 CFBDMO CSC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215108 646923898 /nfs/dbraw/zinc/92/38/98/646923898.db2.gz DKSBWVTUDLGKLN-LLVKDONJSA-N 1 1 281.381 2.565 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000886280419 646949953 /nfs/dbraw/zinc/94/99/53/646949953.db2.gz DQZOBVBNSVVYIF-LLVKDONJSA-N 1 1 267.304 2.561 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886555499 647045189 /nfs/dbraw/zinc/04/51/89/647045189.db2.gz UUWCIDHJRRKKMD-WCFLWFBJSA-N 1 1 278.377 2.951 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818618 647151187 /nfs/dbraw/zinc/15/11/87/647151187.db2.gz HLKFLFXGNRDCAA-UKRRQHHQSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cs1 ZINC000886832043 647155408 /nfs/dbraw/zinc/15/54/08/647155408.db2.gz ABCLUBPUNFWRQY-NEPJUHHUSA-N 1 1 282.365 2.657 20 5 CFBDMO Cc1c(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000887731973 647402091 /nfs/dbraw/zinc/40/20/91/647402091.db2.gz BEJGJBURFRDBJE-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO CC(C)[N@@H+](CCOC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338063 649033813 /nfs/dbraw/zinc/03/38/13/649033813.db2.gz OXIQHNAXOJYDLU-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000929760274 649113843 /nfs/dbraw/zinc/11/38/43/649113843.db2.gz QRQIFFZFEHSSAB-ZYHUDNBSSA-N 1 1 252.314 2.638 20 5 CFBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC[N+](=O)[O-])o1 ZINC000929760274 649113848 /nfs/dbraw/zinc/11/38/48/649113848.db2.gz QRQIFFZFEHSSAB-ZYHUDNBSSA-N 1 1 252.314 2.638 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000929820305 649129903 /nfs/dbraw/zinc/12/99/03/649129903.db2.gz HNPTUXXVLWARMI-CVEARBPZSA-N 1 1 292.379 2.631 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000929881915 649143975 /nfs/dbraw/zinc/14/39/75/649143975.db2.gz IFIKSYWCDKSISW-ZDUSSCGKSA-N 1 1 273.336 2.624 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000930353017 649236805 /nfs/dbraw/zinc/23/68/05/649236805.db2.gz DLOIKRAGADOEDM-QDMKHBRRSA-N 1 1 260.337 2.674 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000930449844 649250039 /nfs/dbraw/zinc/25/00/39/649250039.db2.gz GLQSWSIIENYTPQ-ZNMIVQPWSA-N 1 1 260.337 2.531 20 5 CFBDMO Cc1nc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000930553736 649272186 /nfs/dbraw/zinc/27/21/86/649272186.db2.gz DMZULQDRCITUGL-UHFFFAOYSA-N 1 1 288.351 2.960 20 5 CFBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930665161 649301463 /nfs/dbraw/zinc/30/14/63/649301463.db2.gz ZFQQAXHBJCDTSZ-ZDUSSCGKSA-N 1 1 252.289 2.548 20 5 CFBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930665161 649301465 /nfs/dbraw/zinc/30/14/65/649301465.db2.gz ZFQQAXHBJCDTSZ-ZDUSSCGKSA-N 1 1 252.289 2.548 20 5 CFBDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC[N+](=O)[O-] ZINC000931555992 649453666 /nfs/dbraw/zinc/45/36/66/649453666.db2.gz YXAXFJGDGLRAPR-LBPRGKRZSA-N 1 1 266.316 2.670 20 5 CFBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932169278 649557735 /nfs/dbraw/zinc/55/77/35/649557735.db2.gz PPHYJCDEJLAYEW-CYBMUJFWSA-N 1 1 293.367 2.769 20 5 CFBDMO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932271230 649572149 /nfs/dbraw/zinc/57/21/49/649572149.db2.gz YHOUPXDOJGHBLQ-HNNXBMFYSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932271230 649572150 /nfs/dbraw/zinc/57/21/50/649572150.db2.gz YHOUPXDOJGHBLQ-HNNXBMFYSA-N 1 1 286.335 2.665 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000934109527 649750385 /nfs/dbraw/zinc/75/03/85/649750385.db2.gz 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Cc1noc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595440737 349626758 /nfs/dbraw/zinc/62/67/58/349626758.db2.gz GQGAVAFWZHNEKK-VXGBXAGGSA-N 1 1 297.355 2.575 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595520666 349650032 /nfs/dbraw/zinc/65/00/32/349650032.db2.gz RSQSLLKEHHAKOM-JTQLQIEISA-N 1 1 292.314 2.801 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595521994 349650149 /nfs/dbraw/zinc/65/01/49/349650149.db2.gz HLBQFYNHMIMGAK-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1noc(C[N@H+](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595494405 349641847 /nfs/dbraw/zinc/64/18/47/349641847.db2.gz BHXJNECLXSFDDI-UHFFFAOYSA-N 1 1 289.282 2.901 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536769 349654162 /nfs/dbraw/zinc/65/41/62/349654162.db2.gz VHJUYSQSJCNPED-ZDUSSCGKSA-N 1 1 277.368 2.511 20 5 CFBDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000125708521 187197282 /nfs/dbraw/zinc/19/72/82/187197282.db2.gz PEKAUNKIEWYRFU-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670152 349694937 /nfs/dbraw/zinc/69/49/37/349694937.db2.gz AGDBEWCOWWZNSY-CZUORRHYSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008698 187210678 /nfs/dbraw/zinc/21/06/78/187210678.db2.gz FOIWZAUNJGAJOK-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752096 349722341 /nfs/dbraw/zinc/72/23/41/349722341.db2.gz SDSQWSZASAWDCX-LRDDRELGSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595701182 349709520 /nfs/dbraw/zinc/70/95/20/349709520.db2.gz RAVDKSSEIXLWGK-TZMCWYRMSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595703507 349710205 /nfs/dbraw/zinc/71/02/05/349710205.db2.gz SXSHECXXOZKTHR-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756876 349725602 /nfs/dbraw/zinc/72/56/02/349725602.db2.gz HCPZQKALWOXYNU-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779510 349730886 /nfs/dbraw/zinc/73/08/86/349730886.db2.gz BGZYRACFPXYDNE-NEPJUHHUSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596092459 349792662 /nfs/dbraw/zinc/79/26/62/349792662.db2.gz WCWHSSVIGFNPDP-SECBINFHSA-N 1 1 267.354 2.613 20 5 CFBDMO CNC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105316 349795703 /nfs/dbraw/zinc/79/57/03/349795703.db2.gz KCDCBAGIJPPXPH-KCQAQPDRSA-N 1 1 291.395 2.504 20 5 CFBDMO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105316 349795707 /nfs/dbraw/zinc/79/57/07/349795707.db2.gz KCDCBAGIJPPXPH-KCQAQPDRSA-N 1 1 291.395 2.504 20 5 CFBDMO COc1cc(NC[C@H]2CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596112251 349797117 /nfs/dbraw/zinc/79/71/17/349797117.db2.gz LDMLHPXFEOVFHL-SECBINFHSA-N 1 1 299.758 2.620 20 5 CFBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596118771 349799042 /nfs/dbraw/zinc/79/90/42/349799042.db2.gz FFKGSIPINUMJCE-SNVBAGLBSA-N 1 1 269.370 2.718 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126569723 187248832 /nfs/dbraw/zinc/24/88/32/187248832.db2.gz ZKKPUDZWIDDVLL-DDQSDDEPSA-N 1 1 288.347 2.596 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413120788 529794169 /nfs/dbraw/zinc/79/41/69/529794169.db2.gz SBQUSOLWRGZGGE-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596255731 349842839 /nfs/dbraw/zinc/84/28/39/349842839.db2.gz RVVAWZUOTHZUQR-JTQLQIEISA-N 1 1 295.408 2.885 20 5 CFBDMO Cc1cnc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309310 349858918 /nfs/dbraw/zinc/85/89/18/349858918.db2.gz YJINQEJFCYRJLD-GFCCVEGCSA-N 1 1 292.383 2.831 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596308857 349859262 /nfs/dbraw/zinc/85/92/62/349859262.db2.gz WYMGUIWWQGOMAG-NSHDSACASA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1ccnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337143 349869173 /nfs/dbraw/zinc/86/91/73/349869173.db2.gz UVYSOUMEHRREBQ-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO C[N@@H+](CCCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000413348988 529884209 /nfs/dbraw/zinc/88/42/09/529884209.db2.gz QBQWSAOJQMSPJJ-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000413431011 530060905 /nfs/dbraw/zinc/06/09/05/530060905.db2.gz AHNNHWVJFFDGLX-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000273268632 192094049 /nfs/dbraw/zinc/09/40/49/192094049.db2.gz JJBBCAFSVDMUAQ-NWDGAFQWSA-N 1 1 298.408 2.885 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000273268632 192094050 /nfs/dbraw/zinc/09/40/50/192094050.db2.gz JJBBCAFSVDMUAQ-NWDGAFQWSA-N 1 1 298.408 2.885 20 5 CFBDMO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000031582586 346295347 /nfs/dbraw/zinc/29/53/47/346295347.db2.gz MZKKOFGHNUUGTP-UHFFFAOYSA-N 1 1 293.367 2.560 20 5 CFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000048023029 346464882 /nfs/dbraw/zinc/46/48/82/346464882.db2.gz MMSWXUXXBBXGNK-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000051854313 346507408 /nfs/dbraw/zinc/50/74/08/346507408.db2.gz NDLCLFUAJSSNIK-ZDUSSCGKSA-N 1 1 290.363 2.904 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060452647 346666341 /nfs/dbraw/zinc/66/63/41/346666341.db2.gz RFVJUOJBKOOQGS-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCCC[C@H]1C ZINC000076744665 347151223 /nfs/dbraw/zinc/15/12/23/347151223.db2.gz VCVMYVBXAYTRJQ-NEPJUHHUSA-N 1 1 278.356 2.665 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726475 347508507 /nfs/dbraw/zinc/50/85/07/347508507.db2.gz WVAJVUVPLFUNRV-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000088725673 347508756 /nfs/dbraw/zinc/50/87/56/347508756.db2.gz MUOGJYFWUNOAPT-UHFFFAOYSA-N 1 1 274.324 2.910 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000091477771 347589109 /nfs/dbraw/zinc/58/91/09/347589109.db2.gz HPFYRMKOPCFTNG-LBPRGKRZSA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000091484281 347590697 /nfs/dbraw/zinc/59/06/97/347590697.db2.gz OKHPIOWYHBZYJW-RISCZKNCSA-N 1 1 263.341 2.514 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094659412 347696433 /nfs/dbraw/zinc/69/64/33/347696433.db2.gz WVZVBJUSDDUOTI-GFCCVEGCSA-N 1 1 275.352 2.799 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000153741985 347974416 /nfs/dbraw/zinc/97/44/16/347974416.db2.gz SZUBGQSIPWHMOV-LLVKDONJSA-N 1 1 296.758 2.539 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000158664810 348007982 /nfs/dbraw/zinc/00/79/82/348007982.db2.gz JPJHBOGYOPAHPM-NSHDSACASA-N 1 1 261.325 2.552 20 5 CFBDMO C[C@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000169244268 348050266 /nfs/dbraw/zinc/05/02/66/348050266.db2.gz RWPBBKSCRGFFQI-MRXNPFEDSA-N 1 1 286.331 2.592 20 5 CFBDMO C[C@@H]1CSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000172594160 348100058 /nfs/dbraw/zinc/10/00/58/348100058.db2.gz BGNLHMDWNTWBKH-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000223224552 348174394 /nfs/dbraw/zinc/17/43/94/348174394.db2.gz MHCUYRJFFGMMJT-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305850066 348382610 /nfs/dbraw/zinc/38/26/10/348382610.db2.gz UQEXRALXYDOHME-ABAIWWIYSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000311603706 348413980 /nfs/dbraw/zinc/41/39/80/348413980.db2.gz OSKNNDVAZOLEQE-MRVPVSSYSA-N 1 1 284.747 2.538 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000413052492 233011953 /nfs/dbraw/zinc/01/19/53/233011953.db2.gz HSHZLAKIKWEKQE-GHMZBOCLSA-N 1 1 296.346 2.804 20 5 CFBDMO C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404414444 348591224 /nfs/dbraw/zinc/59/12/24/348591224.db2.gz FIDVPGMXFVWUHJ-WFASDCNBSA-N 1 1 277.368 2.544 20 5 CFBDMO C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404414440 348591351 /nfs/dbraw/zinc/59/13/51/348591351.db2.gz FIDVPGMXFVWUHJ-IUODEOHRSA-N 1 1 277.368 2.544 20 5 CFBDMO C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404414442 348591550 /nfs/dbraw/zinc/59/15/50/348591550.db2.gz FIDVPGMXFVWUHJ-SWLSCSKDSA-N 1 1 277.368 2.544 20 5 CFBDMO CSC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000584805712 348717856 /nfs/dbraw/zinc/71/78/56/348717856.db2.gz DZHVBIBBCZFDDU-UHFFFAOYSA-N 1 1 278.377 2.849 20 5 CFBDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CC1 ZINC000589500088 348836078 /nfs/dbraw/zinc/83/60/78/348836078.db2.gz RTEWLSRPYCNWEL-UHFFFAOYSA-N 1 1 292.335 2.613 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000589571642 348838908 /nfs/dbraw/zinc/83/89/08/348838908.db2.gz BIUFLUOZPIXIMB-SECBINFHSA-N 1 1 257.359 2.799 20 5 CFBDMO Cc1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584235 348839663 /nfs/dbraw/zinc/83/96/63/348839663.db2.gz LAWSBIQZFOANQY-RYUDHWBXSA-N 1 1 275.352 2.940 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(Cn3c[nH+]c4c3CCCC4)nc2c1 ZINC000590746914 348941810 /nfs/dbraw/zinc/94/18/10/348941810.db2.gz YTGVMARDYPFNES-UHFFFAOYSA-N 1 1 297.318 2.595 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591275637 349006480 /nfs/dbraw/zinc/00/64/80/349006480.db2.gz NSLQQEMVQUVTBG-HIFRSBDPSA-N 1 1 291.395 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000591578354 349031645 /nfs/dbraw/zinc/03/16/45/349031645.db2.gz VQQMGEPITTZOQX-XJKSGUPXSA-N 1 1 289.379 2.704 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592521266 349132586 /nfs/dbraw/zinc/13/25/86/349132586.db2.gz ZDXSQAPHQSKFHW-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592521266 349132588 /nfs/dbraw/zinc/13/25/88/349132588.db2.gz ZDXSQAPHQSKFHW-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592521266 349132592 /nfs/dbraw/zinc/13/25/92/349132592.db2.gz ZDXSQAPHQSKFHW-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO Cc1nnsc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593021300 349189100 /nfs/dbraw/zinc/18/91/00/349189100.db2.gz UJOCWGKGJGDVFO-UHFFFAOYSA-N 1 1 292.364 2.780 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CCO ZINC000593110740 349211176 /nfs/dbraw/zinc/21/11/76/349211176.db2.gz ZVFWPWAUAJCENS-LBPRGKRZSA-N 1 1 296.367 2.585 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114451 349211850 /nfs/dbraw/zinc/21/18/50/349211850.db2.gz BPNPCCKFAVIBTR-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114451 349211854 /nfs/dbraw/zinc/21/18/54/349211854.db2.gz BPNPCCKFAVIBTR-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593056951 349195815 /nfs/dbraw/zinc/19/58/15/349195815.db2.gz BUZMWZWPUQPZMG-UKRRQHHQSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593056951 349195818 /nfs/dbraw/zinc/19/58/18/349195818.db2.gz BUZMWZWPUQPZMG-UKRRQHHQSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593069343 349201299 /nfs/dbraw/zinc/20/12/99/349201299.db2.gz QSHDJDNOTBGAHW-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593069343 349201303 /nfs/dbraw/zinc/20/13/03/349201303.db2.gz QSHDJDNOTBGAHW-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)CCO ZINC000593693821 349310462 /nfs/dbraw/zinc/31/04/62/349310462.db2.gz FHIACMHWICFYNY-SUIFULHWSA-N 1 1 278.352 2.701 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000597197371 350052449 /nfs/dbraw/zinc/05/24/49/350052449.db2.gz WRTPVXJYDOSYGJ-IYBDPMFKSA-N 1 1 290.363 2.762 20 5 CFBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000598998278 350356839 /nfs/dbraw/zinc/35/68/39/350356839.db2.gz DIISGZOTNLNSGG-INIZCTEOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598999487 350357350 /nfs/dbraw/zinc/35/73/50/350357350.db2.gz ODKAMCXMYGSZTE-MRXNPFEDSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598999487 350357354 /nfs/dbraw/zinc/35/73/54/350357354.db2.gz ODKAMCXMYGSZTE-MRXNPFEDSA-N 1 1 289.379 2.701 20 5 CFBDMO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071824 350370817 /nfs/dbraw/zinc/37/08/17/350370817.db2.gz UKTBSNGFTDWCMY-KBPBESRZSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(C)COC1 ZINC000599571460 350458024 /nfs/dbraw/zinc/45/80/24/350458024.db2.gz HXGOUHFWWFNCPV-LLVKDONJSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2C2CC2)c(F)c1 ZINC000600611554 350580486 /nfs/dbraw/zinc/58/04/86/350580486.db2.gz QHKYBWXMYJGCKO-UHFFFAOYSA-N 1 1 261.256 2.856 20 5 CFBDMO Cc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000601080055 350661521 /nfs/dbraw/zinc/66/15/21/350661521.db2.gz HFKVCLVIEJRMCI-UHFFFAOYSA-N 1 1 267.235 2.735 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000601173852 350688780 /nfs/dbraw/zinc/68/87/80/350688780.db2.gz KIZRXWLBOXAUCA-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000601174613 350689718 /nfs/dbraw/zinc/68/97/18/350689718.db2.gz XUKIVLAUOUPHQD-QWRGUYRKSA-N 1 1 287.344 2.837 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111254795 186379051 /nfs/dbraw/zinc/37/90/51/186379051.db2.gz YCOBZIXLARGLKK-LBPRGKRZSA-N 1 1 293.367 2.536 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000111254399 186379664 /nfs/dbraw/zinc/37/96/64/186379664.db2.gz MWBGMJBKUUINCE-LLVKDONJSA-N 1 1 293.367 2.820 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483880 350901948 /nfs/dbraw/zinc/90/19/48/350901948.db2.gz JMQMJBICVFJHQN-LBPRGKRZSA-N 1 1 280.372 2.586 20 5 CFBDMO C[N@@H+](CCC[C@H]1CCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000602659741 350964893 /nfs/dbraw/zinc/96/48/93/350964893.db2.gz WDIVHEYLRXCWDV-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000602778147 351021143 /nfs/dbraw/zinc/02/11/43/351021143.db2.gz FLVLVOWXCUOCGW-CYBMUJFWSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000602777984 351021724 /nfs/dbraw/zinc/02/17/24/351021724.db2.gz AGOFVEDTMYCXTP-RYUDHWBXSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c(C)s1 ZINC000602797912 351029048 /nfs/dbraw/zinc/02/90/48/351029048.db2.gz CYPYIHGNUGXWTB-SECBINFHSA-N 1 1 294.380 2.857 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000602808712 351033667 /nfs/dbraw/zinc/03/36/67/351033667.db2.gz YXCUGTPNCGBZBY-YUTCNCBUSA-N 1 1 292.383 2.610 20 5 CFBDMO C[NH+]1CCC2(CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000602875850 351055477 /nfs/dbraw/zinc/05/54/77/351055477.db2.gz BANAHWZNGIIQMW-UHFFFAOYSA-N 1 1 295.408 2.574 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602881659 351057008 /nfs/dbraw/zinc/05/70/08/351057008.db2.gz RKPMQWMMDDRDOH-OAHLLOKOSA-N 1 1 286.335 2.698 20 5 CFBDMO Cn1cc(C2=CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000602890265 351059748 /nfs/dbraw/zinc/05/97/48/351059748.db2.gz ZTEUQDQBANSWSX-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859908 351187231 /nfs/dbraw/zinc/18/72/31/351187231.db2.gz JATWQMJHUDDSAG-CYBMUJFWSA-N 1 1 292.383 2.914 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609540589 351506341 /nfs/dbraw/zinc/50/63/41/351506341.db2.gz IXWLARQKSRIDOS-GFCCVEGCSA-N 1 1 266.341 2.952 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609595613 351510837 /nfs/dbraw/zinc/51/08/37/351510837.db2.gz VXFWZSMTXKTJTN-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000610662306 351589117 /nfs/dbraw/zinc/58/91/17/351589117.db2.gz HNDBJLGYUQXFCL-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000610662306 351589121 /nfs/dbraw/zinc/58/91/21/351589121.db2.gz HNDBJLGYUQXFCL-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)[NH+](C)C ZINC000610810977 351610809 /nfs/dbraw/zinc/61/08/09/351610809.db2.gz HEYIBERWKQUYFA-RYUDHWBXSA-N 1 1 265.357 2.504 20 5 CFBDMO COCC1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000611178880 351647515 /nfs/dbraw/zinc/64/75/15/351647515.db2.gz RDJHTFAFYIRFEQ-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO CCC[N@@H+](CC)CCNc1sccc1[N+](=O)[O-] ZINC000611412663 351686130 /nfs/dbraw/zinc/68/61/30/351686130.db2.gz BLIKPGCQNHITGU-UHFFFAOYSA-N 1 1 257.359 2.800 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612134140 351778741 /nfs/dbraw/zinc/77/87/41/351778741.db2.gz KZJPOAUJUNTUCE-RKLWJJNISA-N 1 1 290.363 2.667 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123144457 187073872 /nfs/dbraw/zinc/07/38/72/187073872.db2.gz ZQYOUIVFTDJKQP-TZMCWYRMSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144457 187073873 /nfs/dbraw/zinc/07/38/73/187073873.db2.gz ZQYOUIVFTDJKQP-TZMCWYRMSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123144457 187073874 /nfs/dbraw/zinc/07/38/74/187073874.db2.gz ZQYOUIVFTDJKQP-TZMCWYRMSA-N 1 1 277.368 2.509 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C(C)(C)COC)ccc1[N+](=O)[O-] ZINC000292086631 198158478 /nfs/dbraw/zinc/15/84/78/198158478.db2.gz GHXPZWQMKONHBW-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ncn1 ZINC000618572323 352814952 /nfs/dbraw/zinc/81/49/52/352814952.db2.gz TYINSGSZPBPMAG-MRXNPFEDSA-N 1 1 298.346 2.860 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCn1ccnc1 ZINC000271627066 191248776 /nfs/dbraw/zinc/24/87/76/191248776.db2.gz GCODGUVITNKKJY-CYBMUJFWSA-N 1 1 288.351 2.874 20 5 CFBDMO CC(C)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000619431130 353022515 /nfs/dbraw/zinc/02/25/15/353022515.db2.gz IXKYCGBDOMNMTK-UHFFFAOYSA-N 1 1 252.289 2.822 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2CCOCC2)C2CC2)c1 ZINC000153257409 188073231 /nfs/dbraw/zinc/07/32/31/188073231.db2.gz QCQQADMYAWUXPC-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO CCOCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153290507 188074494 /nfs/dbraw/zinc/07/44/94/188074494.db2.gz RDXKWQNRXRZDIM-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO COCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153312947 188076106 /nfs/dbraw/zinc/07/61/06/188076106.db2.gz UCSKKYKMRRIVNG-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292345671 198252767 /nfs/dbraw/zinc/25/27/67/198252767.db2.gz HCSFXMFQRUVGNW-LLVKDONJSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292345671 198252768 /nfs/dbraw/zinc/25/27/68/198252768.db2.gz HCSFXMFQRUVGNW-LLVKDONJSA-N 1 1 250.298 2.588 20 5 CFBDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154265269 188132411 /nfs/dbraw/zinc/13/24/11/188132411.db2.gz OWFIKCBRSTYPMH-CQSZACIVSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158700985 188390370 /nfs/dbraw/zinc/39/03/70/188390370.db2.gz VOBWUBBOMYSOKE-UHFFFAOYSA-N 1 1 288.351 2.836 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387783 /nfs/dbraw/zinc/38/77/83/188387783.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 1 1 289.379 2.511 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174416880 188897845 /nfs/dbraw/zinc/89/78/45/188897845.db2.gz GYCGYYVDALVCSP-JTQLQIEISA-N 1 1 288.307 2.629 20 5 CFBDMO CCC1(C)C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000297428757 200187120 /nfs/dbraw/zinc/18/71/20/200187120.db2.gz OIDGLPJHPGQZBT-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180853417 189279879 /nfs/dbraw/zinc/27/98/79/189279879.db2.gz NKSYDPBXIYPTRB-OCCSQVGLSA-N 1 1 292.379 2.921 20 5 CFBDMO COc1cc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301522699 201045212 /nfs/dbraw/zinc/04/52/12/201045212.db2.gz LZBJWPXGDAXPIM-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000183295169 189353971 /nfs/dbraw/zinc/35/39/71/189353971.db2.gz CGIPJHIPBCESJW-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301765633 201183548 /nfs/dbraw/zinc/18/35/48/201183548.db2.gz CXGQABZQBSIEPL-CYBMUJFWSA-N 1 1 292.383 2.912 20 5 CFBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000425424769 239056463 /nfs/dbraw/zinc/05/64/63/239056463.db2.gz SRTQJAXASVMDGF-INIZCTEOSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000301988555 201287999 /nfs/dbraw/zinc/28/79/99/201287999.db2.gz LPKFKKJKCDVSEQ-WFASDCNBSA-N 1 1 277.368 2.761 20 5 CFBDMO C[N@@H+](CCNc1sccc1[N+](=O)[O-])C1CCCC1 ZINC000301988423 201289503 /nfs/dbraw/zinc/28/95/03/201289503.db2.gz LKZATNQZNZLPCU-UHFFFAOYSA-N 1 1 269.370 2.943 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302013152 201299329 /nfs/dbraw/zinc/29/93/29/201299329.db2.gz ZUIQHKXUORSULR-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1sccc1[N+](=O)[O-] ZINC000302018506 201301500 /nfs/dbraw/zinc/30/15/00/201301500.db2.gz MRYSVPIDVWPJQB-NSHDSACASA-N 1 1 283.397 2.967 20 5 CFBDMO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000302006790 201295399 /nfs/dbraw/zinc/29/53/99/201295399.db2.gz WAXIPIGIWDFVHL-MRVPVSSYSA-N 1 1 255.343 2.551 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426526519 239236228 /nfs/dbraw/zinc/23/62/28/239236228.db2.gz TXBRJPSYSBQSSZ-DOMZBBRYSA-N 1 1 276.336 2.848 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1CCOCC1)CC2 ZINC000432815800 240050912 /nfs/dbraw/zinc/05/09/12/240050912.db2.gz KHNHIMSHUVQKSL-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433309659 240140880 /nfs/dbraw/zinc/14/08/80/240140880.db2.gz BYGOGNLWBAQYAS-UHFFFAOYSA-N 1 1 298.302 2.868 20 5 CFBDMO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]CC1 ZINC000435613486 240333533 /nfs/dbraw/zinc/33/35/33/240333533.db2.gz KDQWEVOZVJTRPU-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275851878 193147336 /nfs/dbraw/zinc/14/73/36/193147336.db2.gz LGTJKSQAAHDYJN-AULYBMBSSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000444681840 241167019 /nfs/dbraw/zinc/16/70/19/241167019.db2.gz XEDWRSDGBDAABV-YGRLFVJLSA-N 1 1 286.335 2.846 20 5 CFBDMO C=Cn1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000446814210 241327532 /nfs/dbraw/zinc/32/75/32/241327532.db2.gz JUNISIHGUUYSRP-NSHDSACASA-N 1 1 272.308 2.743 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492089 241971756 /nfs/dbraw/zinc/97/17/56/241971756.db2.gz BFCLWBCHFMXSDO-SWLSCSKDSA-N 1 1 278.352 2.760 20 5 CFBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449562968 242035675 /nfs/dbraw/zinc/03/56/75/242035675.db2.gz PRPHIBYWTXOZOE-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756405 242138973 /nfs/dbraw/zinc/13/89/73/242138973.db2.gz BATKRUHIYIVWNF-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000450274379 242334864 /nfs/dbraw/zinc/33/48/64/242334864.db2.gz GVYGYESQIWOBAU-LLVKDONJSA-N 1 1 298.346 2.792 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452115704 243050964 /nfs/dbraw/zinc/05/09/64/243050964.db2.gz FSPXFQXYYNRRTJ-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000330607083 203030597 /nfs/dbraw/zinc/03/05/97/203030597.db2.gz JHFNVFPYZQZIJV-ZDUSSCGKSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851237 203312179 /nfs/dbraw/zinc/31/21/79/203312179.db2.gz NOGMSIMIRRSEMC-ZYHUDNBSSA-N 1 1 284.381 2.639 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276260185 193261615 /nfs/dbraw/zinc/26/16/15/193261615.db2.gz AYTUHGYXAVCASG-ZDUSSCGKSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000037140923 372654144 /nfs/dbraw/zinc/65/41/44/372654144.db2.gz UBEWGNJONKWHBA-LBPRGKRZSA-N 1 1 289.379 2.872 20 5 CFBDMO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644167 372682106 /nfs/dbraw/zinc/68/21/06/372682106.db2.gz BXRCZWCDZJGMDY-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644167 372682111 /nfs/dbraw/zinc/68/21/11/372682111.db2.gz BXRCZWCDZJGMDY-CJNGLKHVSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000040771672 372787051 /nfs/dbraw/zinc/78/70/51/372787051.db2.gz QXMLXARUQISFMJ-CQSZACIVSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1ncc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000047258852 373084366 /nfs/dbraw/zinc/08/43/66/373084366.db2.gz DYNRMAXRKADCOO-UHFFFAOYSA-N 1 1 277.349 2.992 20 5 CFBDMO Cc1ncc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000047258852 373084379 /nfs/dbraw/zinc/08/43/79/373084379.db2.gz DYNRMAXRKADCOO-UHFFFAOYSA-N 1 1 277.349 2.992 20 5 CFBDMO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000048326870 373162926 /nfs/dbraw/zinc/16/29/26/373162926.db2.gz GMXQRQRJARSNIR-UHFFFAOYSA-N 1 1 288.351 2.836 20 5 CFBDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442608 373297397 /nfs/dbraw/zinc/29/73/97/373297397.db2.gz HOKWWNKCJMUMBW-NSHDSACASA-N 1 1 279.340 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000049963279 373337165 /nfs/dbraw/zinc/33/71/65/373337165.db2.gz BYKORVPFYIWVKA-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000050015660 373339623 /nfs/dbraw/zinc/33/96/23/373339623.db2.gz LKQSGHQXWAXRPH-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)C2CCCCC2)cc1 ZINC000050106543 373354813 /nfs/dbraw/zinc/35/48/13/373354813.db2.gz SUJCGQXLSOENNV-UHFFFAOYSA-N 1 1 292.379 2.764 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054127928 373500069 /nfs/dbraw/zinc/50/00/69/373500069.db2.gz SFBNMRWAOBEYBO-UHFFFAOYSA-N 1 1 291.273 2.977 20 5 CFBDMO CC(C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065961034 373906775 /nfs/dbraw/zinc/90/67/75/373906775.db2.gz MMUCRAMKXVXANC-UHFFFAOYSA-N 1 1 252.314 2.561 20 5 CFBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913497 374042221 /nfs/dbraw/zinc/04/22/21/374042221.db2.gz YYEUFSQFFPKSGW-VIFPVBQESA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913501 374042383 /nfs/dbraw/zinc/04/23/83/374042383.db2.gz YYEUFSQFFPKSGW-SECBINFHSA-N 1 1 267.304 2.629 20 5 CFBDMO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171027 374137568 /nfs/dbraw/zinc/13/75/68/374137568.db2.gz HMZGWGASYFMYBO-NSHDSACASA-N 1 1 297.786 2.809 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000071950782 374232163 /nfs/dbraw/zinc/23/21/63/374232163.db2.gz ZYVMTPFDNXVUEC-LLVKDONJSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897490 374300324 /nfs/dbraw/zinc/30/03/24/374300324.db2.gz LUVPBRJZQUJQQK-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072897490 374300329 /nfs/dbraw/zinc/30/03/29/374300329.db2.gz LUVPBRJZQUJQQK-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000076073617 374531100 /nfs/dbraw/zinc/53/11/00/374531100.db2.gz WGHWYHWTWLLYGE-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000076073617 374531108 /nfs/dbraw/zinc/53/11/08/374531108.db2.gz WGHWYHWTWLLYGE-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000076117827 374534484 /nfs/dbraw/zinc/53/44/84/374534484.db2.gz ZWYMPJAFUAEXQB-SNVBAGLBSA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644133 375281578 /nfs/dbraw/zinc/28/15/78/375281578.db2.gz HDPXGXJRXNUJBQ-UKRRQHHQSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644133 375281584 /nfs/dbraw/zinc/28/15/84/375281584.db2.gz HDPXGXJRXNUJBQ-UKRRQHHQSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644133 375281590 /nfs/dbraw/zinc/28/15/90/375281590.db2.gz HDPXGXJRXNUJBQ-UKRRQHHQSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774147 375377943 /nfs/dbraw/zinc/37/79/43/375377943.db2.gz SRHUTQJZRMMGGE-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000512280455 247211302 /nfs/dbraw/zinc/21/13/02/247211302.db2.gz HWOPLHYUMGWFIM-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000112411621 375917979 /nfs/dbraw/zinc/91/79/79/375917979.db2.gz APXDYKUVEOBMLE-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO COC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000113508337 376020663 /nfs/dbraw/zinc/02/06/63/376020663.db2.gz GVOOAHYTTLELEY-UHFFFAOYSA-N 1 1 298.314 2.507 20 5 CFBDMO COC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000113508337 376020669 /nfs/dbraw/zinc/02/06/69/376020669.db2.gz GVOOAHYTTLELEY-UHFFFAOYSA-N 1 1 298.314 2.507 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000118416255 376296069 /nfs/dbraw/zinc/29/60/69/376296069.db2.gz VVKMAGBASLSQKH-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000118416255 376296072 /nfs/dbraw/zinc/29/60/72/376296072.db2.gz VVKMAGBASLSQKH-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccccc1[N+](=O)[O-] ZINC000120242175 376576297 /nfs/dbraw/zinc/57/62/97/376576297.db2.gz AKDBFBINAFLDFH-UHFFFAOYSA-N 1 1 274.324 2.626 20 5 CFBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900367 376720102 /nfs/dbraw/zinc/72/01/02/376720102.db2.gz YFUBGVMOICRPAW-TZMCWYRMSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000121759572 376900545 /nfs/dbraw/zinc/90/05/45/376900545.db2.gz ARLMGLWONTVUCR-DTWKUNHWSA-N 1 1 297.305 2.910 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125387822 377150611 /nfs/dbraw/zinc/15/06/11/377150611.db2.gz BMEZGTGZQZLEAC-OSRDXIQISA-N 1 1 289.379 2.715 20 5 CFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126085619 377211061 /nfs/dbraw/zinc/21/10/61/377211061.db2.gz JNIREYMJEFOLLH-UHFFFAOYSA-N 1 1 294.351 2.758 20 5 CFBDMO COCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130396302 377548959 /nfs/dbraw/zinc/54/89/59/377548959.db2.gz JDHVXVZGRFBJEY-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000133504205 377935515 /nfs/dbraw/zinc/93/55/15/377935515.db2.gz QVBCCFYTFRGXFT-RKDXNWHRSA-N 1 1 296.758 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOCC2CC2)C2CC2)c1 ZINC000153279180 378484466 /nfs/dbraw/zinc/48/44/66/378484466.db2.gz GDNOKZNRLUZKQY-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO CC[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089203 378631837 /nfs/dbraw/zinc/63/18/37/378631837.db2.gz UNRTZRYDVKGHOW-DOMZBBRYSA-N 1 1 291.395 2.723 20 5 CFBDMO CCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089203 378631860 /nfs/dbraw/zinc/63/18/60/378631860.db2.gz UNRTZRYDVKGHOW-DOMZBBRYSA-N 1 1 291.395 2.723 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000330804255 378597912 /nfs/dbraw/zinc/59/79/12/378597912.db2.gz BMTFYNAXDRQEFT-CQSZACIVSA-N 1 1 278.352 2.986 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331270799 378660893 /nfs/dbraw/zinc/66/08/93/378660893.db2.gz ATQRGEROYZSITG-GHJWDPDVSA-N 1 1 292.379 2.885 20 5 CFBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285158 378663775 /nfs/dbraw/zinc/66/37/75/378663775.db2.gz GEYJEYKXTFPWLJ-NWDGAFQWSA-N 1 1 280.372 2.729 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000332202918 378735446 /nfs/dbraw/zinc/73/54/46/378735446.db2.gz CVPJBBGKXHBWKF-AWEZNQCLSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332065678 378724053 /nfs/dbraw/zinc/72/40/53/378724053.db2.gz RUULZDQKRWEZKO-CYBMUJFWSA-N 1 1 292.335 2.836 20 5 CFBDMO CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000168716946 379095155 /nfs/dbraw/zinc/09/51/55/379095155.db2.gz IZGGDPYRYOIBHS-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO CCC[C@@H](N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730512 379096133 /nfs/dbraw/zinc/09/61/33/379096133.db2.gz YCZZKACNIIIGEV-SWLSCSKDSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000171057423 379218968 /nfs/dbraw/zinc/21/89/68/379218968.db2.gz CEKXEBOZFIUZRW-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO COc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000172590126 379600956 /nfs/dbraw/zinc/60/09/56/379600956.db2.gz AGIRGJOPOTXJTQ-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc(C[N@H+]2CCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000172590126 379600965 /nfs/dbraw/zinc/60/09/65/379600965.db2.gz AGIRGJOPOTXJTQ-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000175106577 379997592 /nfs/dbraw/zinc/99/75/92/379997592.db2.gz ZDOMTBQZESZRST-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCO1 ZINC000175106099 379997863 /nfs/dbraw/zinc/99/78/63/379997863.db2.gz MDDQMCVGQFJOFJ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000175106099 379997869 /nfs/dbraw/zinc/99/78/69/379997869.db2.gz MDDQMCVGQFJOFJ-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176247483 380200959 /nfs/dbraw/zinc/20/09/59/380200959.db2.gz LHUATRUMTWEIPQ-CYBMUJFWSA-N 1 1 294.399 2.940 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452113542 383746164 /nfs/dbraw/zinc/74/61/64/383746164.db2.gz ILZYICOETZLZAL-OAHLLOKOSA-N 1 1 291.395 2.818 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000452112256 383746429 /nfs/dbraw/zinc/74/64/29/383746429.db2.gz FOYFYIKDKVSPKD-GFCCVEGCSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000336813947 380674718 /nfs/dbraw/zinc/67/47/18/380674718.db2.gz VXVHELCZLLSGSB-VIFPVBQESA-N 1 1 267.304 2.629 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353804509 380865988 /nfs/dbraw/zinc/86/59/88/380865988.db2.gz MWIZKKLLGNDBNN-KBPBESRZSA-N 1 1 291.395 2.818 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000353775329 380845118 /nfs/dbraw/zinc/84/51/18/380845118.db2.gz METAGXFWVHLTRP-LBPRGKRZSA-N 1 1 266.341 2.840 20 5 CFBDMO CO[C@H](C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000353783460 380850124 /nfs/dbraw/zinc/85/01/24/380850124.db2.gz XGPOHJLTJRFHIS-SNVBAGLBSA-N 1 1 272.370 2.902 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)cs1 ZINC000353996649 381008944 /nfs/dbraw/zinc/00/89/44/381008944.db2.gz PCOJYLVYKLYGEY-NSHDSACASA-N 1 1 282.365 2.536 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000289568036 381048631 /nfs/dbraw/zinc/04/86/31/381048631.db2.gz SIADVUZGVIKFJC-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO COC[C@@H]1CC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354057593 381050432 /nfs/dbraw/zinc/05/04/32/381050432.db2.gz XCGPFBUKUXDCIS-ZDUSSCGKSA-N 1 1 278.352 2.939 20 5 CFBDMO COC[C@@H]1CC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354057593 381050444 /nfs/dbraw/zinc/05/04/44/381050444.db2.gz XCGPFBUKUXDCIS-ZDUSSCGKSA-N 1 1 278.352 2.939 20 5 CFBDMO COC[C@@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347365060 381100212 /nfs/dbraw/zinc/10/02/12/381100212.db2.gz SMLLKLNJHIEKPF-YQCJOKCJSA-N 1 1 278.352 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000368790558 381134124 /nfs/dbraw/zinc/13/41/24/381134124.db2.gz HQPHYQYSRREGLI-MRXNPFEDSA-N 1 1 290.363 2.986 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354354980 381220562 /nfs/dbraw/zinc/22/05/62/381220562.db2.gz SHIBQLXPVDFYIN-QWHCGFSZSA-N 1 1 277.368 2.904 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnns2)cc1[N+](=O)[O-] ZINC000290069066 381286875 /nfs/dbraw/zinc/28/68/75/381286875.db2.gz PWYKAZYGESAMPJ-VIFPVBQESA-N 1 1 278.337 2.606 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)OC)C(C)C ZINC000354458625 381284820 /nfs/dbraw/zinc/28/48/20/381284820.db2.gz QIFUSAPFDIUPED-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369669648 381310848 /nfs/dbraw/zinc/31/08/48/381310848.db2.gz COSSYPXFXMTNBP-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO CCn1ccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296484156 381417488 /nfs/dbraw/zinc/41/74/88/381417488.db2.gz OKCSZSLCZCSGCG-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342566474 381399444 /nfs/dbraw/zinc/39/94/44/381399444.db2.gz IHHXGMHXWVAOKD-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC(=O)c1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000359479402 381427160 /nfs/dbraw/zinc/42/71/60/381427160.db2.gz DUIOWCRAAOCWAH-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCO1 ZINC000342606896 381429567 /nfs/dbraw/zinc/42/95/67/381429567.db2.gz QMMBGSOVYIRONZ-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000354744992 381432646 /nfs/dbraw/zinc/43/26/46/381432646.db2.gz IVVDUSHQMJCNGF-IVOILVROSA-N 1 1 290.363 2.845 20 5 CFBDMO CN(C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000348321355 381507163 /nfs/dbraw/zinc/50/71/63/381507163.db2.gz MRKPJQNAMDVAGX-QGZVFWFLSA-N 1 1 299.374 2.835 20 5 CFBDMO CC(C)[N@@H+](CCC[C@@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354897042 381512731 /nfs/dbraw/zinc/51/27/31/381512731.db2.gz RBXYSXLCUXKILG-CYBMUJFWSA-N 1 1 280.368 2.966 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000342708283 381490856 /nfs/dbraw/zinc/49/08/56/381490856.db2.gz URVFRHHPXOCKKG-OAHLLOKOSA-N 1 1 277.368 2.509 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000342708282 381490928 /nfs/dbraw/zinc/49/09/28/381490928.db2.gz URVFRHHPXOCKKG-HNNXBMFYSA-N 1 1 277.368 2.509 20 5 CFBDMO CC(=O)c1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000342837385 381577706 /nfs/dbraw/zinc/57/77/06/381577706.db2.gz XOSJRZKLDYORCC-HZMBPMFUSA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cs1 ZINC000355106808 381614785 /nfs/dbraw/zinc/61/47/85/381614785.db2.gz IOEHTXKMESESHT-RYUDHWBXSA-N 1 1 282.365 2.657 20 5 CFBDMO Cc1cccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000348553150 381633140 /nfs/dbraw/zinc/63/31/40/381633140.db2.gz NRAPFSXXGKUAQK-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355203323 381673786 /nfs/dbraw/zinc/67/37/86/381673786.db2.gz DUDNOLFIRJESDV-HIFRSBDPSA-N 1 1 290.363 2.843 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000291119065 381673307 /nfs/dbraw/zinc/67/33/07/381673307.db2.gz MAOQHQVKHCQJBU-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348712071 381678930 /nfs/dbraw/zinc/67/89/30/381678930.db2.gz HIKUVLWMIOXEGE-LLBKUYECSA-N 1 1 278.352 2.701 20 5 CFBDMO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000291197277 381704193 /nfs/dbraw/zinc/70/41/93/381704193.db2.gz MQBHNRLWCIQTLF-UHFFFAOYSA-N 1 1 296.277 2.556 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000291290506 381736760 /nfs/dbraw/zinc/73/67/60/381736760.db2.gz PPBPMHQNMSKEPR-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000291290506 381736764 /nfs/dbraw/zinc/73/67/64/381736764.db2.gz PPBPMHQNMSKEPR-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O ZINC000360027932 381737263 /nfs/dbraw/zinc/73/72/63/381737263.db2.gz PKBKDJULOQMXNY-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(C)n1 ZINC000298786528 381748449 /nfs/dbraw/zinc/74/84/49/381748449.db2.gz KFXQTZZYMBPJEO-UHFFFAOYSA-N 1 1 288.307 2.622 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000343500303 381754271 /nfs/dbraw/zinc/75/42/71/381754271.db2.gz WAISSRWQADGNDT-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000372337851 381792303 /nfs/dbraw/zinc/79/23/03/381792303.db2.gz GAWHELMVDYOODA-NSHDSACASA-N 1 1 264.300 2.966 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208804 381794684 /nfs/dbraw/zinc/79/46/84/381794684.db2.gz TVCQBWKKKIQGTP-CJNGLKHVSA-N 1 1 289.379 2.683 20 5 CFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292244325 381796977 /nfs/dbraw/zinc/79/69/77/381796977.db2.gz JRZAGWZOEANPIT-CQSZACIVSA-N 1 1 295.770 2.780 20 5 CFBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291849684 381778126 /nfs/dbraw/zinc/77/81/26/381778126.db2.gz OYRVFPJRTISUOP-HNNXBMFYSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292447375 381805752 /nfs/dbraw/zinc/80/57/52/381805752.db2.gz YWDRWSIGFJWXDT-CYBMUJFWSA-N 1 1 289.379 2.905 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000343669136 381879009 /nfs/dbraw/zinc/87/90/09/381879009.db2.gz CCKMPEXQFNJUSW-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343621097 381849191 /nfs/dbraw/zinc/84/91/91/381849191.db2.gz JVPZZIQEWVVLLJ-UHFFFAOYSA-N 1 1 279.340 2.655 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210499 381849680 /nfs/dbraw/zinc/84/96/80/381849680.db2.gz FHNDVKFLCSDKPN-UWVGGRQHSA-N 1 1 283.759 2.777 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC23CCC3)c1 ZINC000373100221 381926445 /nfs/dbraw/zinc/92/64/45/381926445.db2.gz QQUBRYJESOMIER-CQSZACIVSA-N 1 1 276.336 2.647 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292993585 381941204 /nfs/dbraw/zinc/94/12/04/381941204.db2.gz MKOAQVMJOGYWBW-NEPJUHHUSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299623172 382007664 /nfs/dbraw/zinc/00/76/64/382007664.db2.gz JTUXSLDNUCFKFF-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299623172 382007665 /nfs/dbraw/zinc/00/76/65/382007665.db2.gz JTUXSLDNUCFKFF-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO CC[C@H]([NH2+]Cc1snnc1C)c1cccc([N+](=O)[O-])c1 ZINC000293291513 382066459 /nfs/dbraw/zinc/06/64/59/382066459.db2.gz DHPUYNZJKJSMLW-LBPRGKRZSA-N 1 1 292.364 2.996 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000293181847 382020962 /nfs/dbraw/zinc/02/09/62/382020962.db2.gz PSBJKAATZWELBS-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000293181847 382020969 /nfs/dbraw/zinc/02/09/69/382020969.db2.gz PSBJKAATZWELBS-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929418 382024723 /nfs/dbraw/zinc/02/47/23/382024723.db2.gz QMNDMINPYUPYOX-IAQYHMDHSA-N 1 1 277.368 2.586 20 5 CFBDMO Cc1ccnc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301265827 382128808 /nfs/dbraw/zinc/12/88/08/382128808.db2.gz GMCWOJKMBBMVTD-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000344026846 382076526 /nfs/dbraw/zinc/07/65/26/382076526.db2.gz JECPEFRCYLQKLL-CQSZACIVSA-N 1 1 260.337 2.869 20 5 CFBDMO COC1(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000293357635 382092150 /nfs/dbraw/zinc/09/21/50/382092150.db2.gz DXBBYVYETQIETF-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301269987 382130035 /nfs/dbraw/zinc/13/00/35/382130035.db2.gz HKXKXEUMEJVNGY-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122978 382141817 /nfs/dbraw/zinc/14/18/17/382141817.db2.gz FZBZUPMOAFXPJF-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344122978 382141823 /nfs/dbraw/zinc/14/18/23/382141823.db2.gz FZBZUPMOAFXPJF-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301375011 382161174 /nfs/dbraw/zinc/16/11/74/382161174.db2.gz VLQRFKGIDNHZDP-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CCOCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357549020 382221126 /nfs/dbraw/zinc/22/11/26/382221126.db2.gz CTQGXUNDGLNXHX-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO COCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000187616442 382225939 /nfs/dbraw/zinc/22/59/39/382225939.db2.gz ZCTNNZDPAXJLII-UHFFFAOYSA-N 1 1 276.336 2.682 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419331668 382289899 /nfs/dbraw/zinc/28/98/99/382289899.db2.gz JNZUHRJJHFLOLW-KGLIPLIRSA-N 1 1 294.399 2.938 20 5 CFBDMO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293775851 382273480 /nfs/dbraw/zinc/27/34/80/382273480.db2.gz YWIQJBZRQWVJOR-FZBZROKSSA-N 1 1 289.379 2.632 20 5 CFBDMO C[C@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187935161 382303371 /nfs/dbraw/zinc/30/33/71/382303371.db2.gz QRBXNSWTVLPHEL-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO COCCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000419377102 382304876 /nfs/dbraw/zinc/30/48/76/382304876.db2.gz AWNZCMRCCOXDAN-UHFFFAOYSA-N 1 1 293.323 2.594 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC000364326667 382307946 /nfs/dbraw/zinc/30/79/46/382307946.db2.gz HIHWFCDYDPOMPH-GFCCVEGCSA-N 1 1 292.364 2.690 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975609 382313525 /nfs/dbraw/zinc/31/35/25/382313525.db2.gz CDDFJQVFYHWNGE-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO CCOc1cc(N2CC[C@H]([N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000302792863 382320608 /nfs/dbraw/zinc/32/06/08/382320608.db2.gz ZKAXFPRGJZTEKZ-ZDUSSCGKSA-N 1 1 293.367 2.524 20 5 CFBDMO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352421295 382322276 /nfs/dbraw/zinc/32/22/76/382322276.db2.gz KGMQVWAOWLXOMT-SDBXPKJASA-N 1 1 286.278 2.530 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346199424 382336261 /nfs/dbraw/zinc/33/62/61/382336261.db2.gz VRFKTNVCAKDOSS-CHWSQXEVSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000419353594 382295381 /nfs/dbraw/zinc/29/53/81/382295381.db2.gz LLXLUMGIHCZXSE-MXWKQRLJSA-N 1 1 288.351 2.947 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092510 382374956 /nfs/dbraw/zinc/37/49/56/382374956.db2.gz CKXBJTMUZNXMOM-NEPJUHHUSA-N 1 1 284.381 2.782 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092510 382374961 /nfs/dbraw/zinc/37/49/61/382374961.db2.gz CKXBJTMUZNXMOM-NEPJUHHUSA-N 1 1 284.381 2.782 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000352524482 382380271 /nfs/dbraw/zinc/38/02/71/382380271.db2.gz BDIRYEMUKQQCML-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352539900 382386753 /nfs/dbraw/zinc/38/67/53/382386753.db2.gz DTRYSSLTEJSWAO-SNVBAGLBSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541420 382388006 /nfs/dbraw/zinc/38/80/06/382388006.db2.gz XOHDDQRSXJFKAR-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541421 382388943 /nfs/dbraw/zinc/38/89/43/382388943.db2.gz XOHDDQRSXJFKAR-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000352545836 382389756 /nfs/dbraw/zinc/38/97/56/382389756.db2.gz MFPOLWFWZJKDIV-TXEJJXNPSA-N 1 1 276.336 2.691 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000352617478 382418841 /nfs/dbraw/zinc/41/88/41/382418841.db2.gz DFXOQWCCNOFHCB-WFASDCNBSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1ccc(C[NH2+]C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000308627834 382482039 /nfs/dbraw/zinc/48/20/39/382482039.db2.gz JVYUBCICQRJVOP-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785647 382496864 /nfs/dbraw/zinc/49/68/64/382496864.db2.gz AEBUGERSXYYPMP-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000353749346 382625523 /nfs/dbraw/zinc/62/55/23/382625523.db2.gz FPZZVXDOQITPLK-INIZCTEOSA-N 1 1 290.363 2.987 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000353751907 382625920 /nfs/dbraw/zinc/62/59/20/382625920.db2.gz QMBYZCDWUSASIM-MRXNPFEDSA-N 1 1 290.363 2.987 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190211195 382657081 /nfs/dbraw/zinc/65/70/81/382657081.db2.gz UOXPRZJEHVHHID-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO C[C@H]1CSCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000190443302 382668404 /nfs/dbraw/zinc/66/84/04/382668404.db2.gz PNSGVCJJFBVBRH-SNVBAGLBSA-N 1 1 284.356 2.919 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000190443302 382668406 /nfs/dbraw/zinc/66/84/06/382668406.db2.gz PNSGVCJJFBVBRH-SNVBAGLBSA-N 1 1 284.356 2.919 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192502862 382709616 /nfs/dbraw/zinc/70/96/16/382709616.db2.gz HTFUEQVFBOIXLU-LLVKDONJSA-N 1 1 298.412 2.831 20 5 CFBDMO CC[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748427 382711797 /nfs/dbraw/zinc/71/17/97/382711797.db2.gz LYICMXQMOPFWBE-OAHLLOKOSA-N 1 1 277.368 2.514 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748427 382711798 /nfs/dbraw/zinc/71/17/98/382711798.db2.gz LYICMXQMOPFWBE-OAHLLOKOSA-N 1 1 277.368 2.514 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510644 382768622 /nfs/dbraw/zinc/76/86/22/382768622.db2.gz VYUAEDDOEACNJI-VHSXEESVSA-N 1 1 284.385 2.584 20 5 CFBDMO Cc1c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317712 382846522 /nfs/dbraw/zinc/84/65/22/382846522.db2.gz IPXFBSXSZPMZRJ-SLEUVZQESA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317712 382846529 /nfs/dbraw/zinc/84/65/29/382846529.db2.gz IPXFBSXSZPMZRJ-SLEUVZQESA-N 1 1 291.395 2.722 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227378666 382836609 /nfs/dbraw/zinc/83/66/09/382836609.db2.gz WEQJSGLLYOPVIN-GOEBONIOSA-N 1 1 290.363 2.722 20 5 CFBDMO CC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000441253451 382904233 /nfs/dbraw/zinc/90/42/33/382904233.db2.gz XKOIZEGLZVADGX-UHFFFAOYSA-N 1 1 276.336 2.596 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000577301155 382854944 /nfs/dbraw/zinc/85/49/44/382854944.db2.gz UVHCCZSDSBPXAI-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681678 382854994 /nfs/dbraw/zinc/85/49/94/382854994.db2.gz IBBSYKXXTRCZGE-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000231789423 382867204 /nfs/dbraw/zinc/86/72/04/382867204.db2.gz PPAMARORYRBMJZ-LBPRGKRZSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000444255241 382972837 /nfs/dbraw/zinc/97/28/37/382972837.db2.gz YTUDLCTUNWWSMW-UHFFFAOYSA-N 1 1 291.351 2.716 20 5 CFBDMO C[C@H]1C[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772556 382980155 /nfs/dbraw/zinc/98/01/55/382980155.db2.gz FZCFHMIGMHPTRC-QWHCGFSZSA-N 1 1 290.363 2.768 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000338346672 382998086 /nfs/dbraw/zinc/99/80/86/382998086.db2.gz DZOXLMHAGMTFLG-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245453699 383001750 /nfs/dbraw/zinc/00/17/50/383001750.db2.gz RKIFOORPZXFPHG-PWSUYJOCSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1c(NC(=O)C[N@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000608886440 383133761 /nfs/dbraw/zinc/13/37/61/383133761.db2.gz WTTMADZSOYABLT-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246682682 383092257 /nfs/dbraw/zinc/09/22/57/383092257.db2.gz MPKYGRLYYOCZCI-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339004485 383116877 /nfs/dbraw/zinc/11/68/77/383116877.db2.gz XIMMZWWQXUFPRE-NWDGAFQWSA-N 1 1 278.356 2.665 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000566572383 383190475 /nfs/dbraw/zinc/19/04/75/383190475.db2.gz SGDMDJJWRGIBLL-LLVKDONJSA-N 1 1 281.356 2.746 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2F)c(F)c1 ZINC000339588538 383256202 /nfs/dbraw/zinc/25/62/02/383256202.db2.gz APXOHOYKPUXTLX-ZYHUDNBSSA-N 1 1 256.252 2.714 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449419095 383278616 /nfs/dbraw/zinc/27/86/16/383278616.db2.gz GVIUQDZZKQULHS-SJKUQHEZSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248414967 383239262 /nfs/dbraw/zinc/23/92/62/383239262.db2.gz NKSYDPBXIYPTRB-JSGCOSHPSA-N 1 1 292.379 2.921 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]n1)CCCC2 ZINC000567096052 383240265 /nfs/dbraw/zinc/24/02/65/383240265.db2.gz VOGUBOWKAUYIRJ-HNNXBMFYSA-N 1 1 286.335 2.875 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449492057 383330000 /nfs/dbraw/zinc/33/00/00/383330000.db2.gz BDZCITVGLOLTFV-MOCUHTECSA-N 1 1 290.363 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000449502395 383339443 /nfs/dbraw/zinc/33/94/43/383339443.db2.gz RPISLRUQEYBISS-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000449502395 383339448 /nfs/dbraw/zinc/33/94/48/383339448.db2.gz RPISLRUQEYBISS-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000449502395 383339452 /nfs/dbraw/zinc/33/94/52/383339452.db2.gz RPISLRUQEYBISS-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449506687 383342281 /nfs/dbraw/zinc/34/22/81/383342281.db2.gz ZKIJESWVNZDLCR-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000567994900 383342604 /nfs/dbraw/zinc/34/26/04/383342604.db2.gz XUYXITOYSQJFEZ-GOEBONIOSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827252 383346236 /nfs/dbraw/zinc/34/62/36/383346236.db2.gz UWUSYFFMJCWPCL-NOZJJQNGSA-N 1 1 279.315 2.629 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000252442949 383408089 /nfs/dbraw/zinc/40/80/89/383408089.db2.gz FFMVUJCESNRCKQ-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000252442949 383408096 /nfs/dbraw/zinc/40/80/96/383408096.db2.gz FFMVUJCESNRCKQ-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635645 383358593 /nfs/dbraw/zinc/35/85/93/383358593.db2.gz UZYZIUQVBWUVMU-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630798 383358654 /nfs/dbraw/zinc/35/86/54/383358654.db2.gz JEIYXTKIYBFMQV-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000524596682 383376144 /nfs/dbraw/zinc/37/61/44/383376144.db2.gz PEWPTYVWWHOPMX-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250989374 383383565 /nfs/dbraw/zinc/38/35/65/383383565.db2.gz XFYKKZPZUHGPLQ-STQMWFEESA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649367 383423102 /nfs/dbraw/zinc/42/31/02/383423102.db2.gz WWAYETPSKNTSPB-CFVMTHIKSA-N 1 1 289.379 2.872 20 5 CFBDMO CCc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000450547393 383455526 /nfs/dbraw/zinc/45/55/26/383455526.db2.gz CPQMYACYLXWSFQ-JTQLQIEISA-N 1 1 286.335 2.851 20 5 CFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089987 383465648 /nfs/dbraw/zinc/46/56/48/383465648.db2.gz RTZAVWHNVVQNSY-FRRDWIJNSA-N 1 1 292.383 2.768 20 5 CFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000255523901 383483163 /nfs/dbraw/zinc/48/31/63/383483163.db2.gz RMMQENRXQHOVTA-XQRVVYSFSA-N 1 1 284.319 2.530 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000255523901 383483167 /nfs/dbraw/zinc/48/31/67/383483167.db2.gz RMMQENRXQHOVTA-XQRVVYSFSA-N 1 1 284.319 2.530 20 5 CFBDMO Cc1c(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488002913 383486739 /nfs/dbraw/zinc/48/67/39/383486739.db2.gz CPCYBONKWXKFCT-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000488170154 383502412 /nfs/dbraw/zinc/50/24/12/383502412.db2.gz UTVUUGVVCRKZPH-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO Cc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000569504430 383506909 /nfs/dbraw/zinc/50/69/09/383506909.db2.gz VCAMEFORLVAVMG-NSHDSACASA-N 1 1 274.324 2.786 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000450951221 383564405 /nfs/dbraw/zinc/56/44/05/383564405.db2.gz FNMNDRKPWFXJNB-ZDUSSCGKSA-N 1 1 292.383 2.526 20 5 CFBDMO CO[C@H](C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546741 383641340 /nfs/dbraw/zinc/64/13/40/383641340.db2.gz JOSWFVZGXIPODB-OCCSQVGLSA-N 1 1 278.352 2.809 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451547937 383642548 /nfs/dbraw/zinc/64/25/48/383642548.db2.gz RGFKYOFQLRMYGA-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451547937 383642551 /nfs/dbraw/zinc/64/25/51/383642551.db2.gz RGFKYOFQLRMYGA-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551775 383644081 /nfs/dbraw/zinc/64/40/81/383644081.db2.gz VGSOQOUKQVNKSM-DZGCQCFKSA-N 1 1 278.352 2.545 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncccn3)C2)cc1 ZINC000451553625 383645496 /nfs/dbraw/zinc/64/54/96/383645496.db2.gz YEYSDTNBHAEXHP-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC000451553625 383645498 /nfs/dbraw/zinc/64/54/98/383645498.db2.gz YEYSDTNBHAEXHP-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO CC(C)[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553594 383645564 /nfs/dbraw/zinc/64/55/64/383645564.db2.gz YAXNKQKNHVDFRL-HOCLYGCPSA-N 1 1 292.379 2.791 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC1(C)C ZINC000489450314 383620539 /nfs/dbraw/zinc/62/05/39/383620539.db2.gz WBFVXYDGSZDOAM-CYBMUJFWSA-N 1 1 292.335 2.692 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC1(C)C ZINC000489450314 383620544 /nfs/dbraw/zinc/62/05/44/383620544.db2.gz WBFVXYDGSZDOAM-CYBMUJFWSA-N 1 1 292.335 2.692 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CC)C1 ZINC000453604206 383871804 /nfs/dbraw/zinc/87/18/04/383871804.db2.gz MRDBPVROSLBEOJ-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496664 383932909 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COC[C@@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347365058 285204060 /nfs/dbraw/zinc/20/40/60/285204060.db2.gz SMLLKLNJHIEKPF-LLBKUYECSA-N 1 1 278.352 2.965 20 5 CFBDMO CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276841251 386056139 /nfs/dbraw/zinc/05/61/39/386056139.db2.gz CJXJPPKKRXPOBE-UHFFFAOYSA-N 1 1 252.314 2.835 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276892584 386072298 /nfs/dbraw/zinc/07/22/98/386072298.db2.gz GOVCYQUIKTUPPR-LLVKDONJSA-N 1 1 299.330 2.815 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281663043 195326853 /nfs/dbraw/zinc/32/68/53/195326853.db2.gz KWNGHULUEOHIDH-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281703271 195345222 /nfs/dbraw/zinc/34/52/22/195345222.db2.gz NXYDVMWNEWCJFD-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000360048066 130581567 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CC[N@H+]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000178869974 393449236 /nfs/dbraw/zinc/44/92/36/393449236.db2.gz CIWANCHFTVEKIT-SECBINFHSA-N 1 1 285.294 2.769 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000178869968 393449308 /nfs/dbraw/zinc/44/93/08/393449308.db2.gz CIWANCHFTVEKIT-VIFPVBQESA-N 1 1 285.294 2.769 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301702120 393476147 /nfs/dbraw/zinc/47/61/47/393476147.db2.gz GMZRIGUYJJNEDJ-BBRMVZONSA-N 1 1 289.379 2.824 20 5 CFBDMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562989 393532045 /nfs/dbraw/zinc/53/20/45/393532045.db2.gz QFDCGKMTYCNFNR-LLVKDONJSA-N 1 1 292.364 2.557 20 5 CFBDMO CC1(C)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000077382734 393698140 /nfs/dbraw/zinc/69/81/40/393698140.db2.gz WAMDQTMWZXOSFD-UHFFFAOYSA-N 1 1 292.335 2.836 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CC=C(C)CC2)n1 ZINC000339975594 393835038 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290.363 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289689790 276133664 /nfs/dbraw/zinc/13/36/64/276133664.db2.gz IBPZCYFVCLHUJA-GJZGRUSLSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000301592818 276234289 /nfs/dbraw/zinc/23/42/89/276234289.db2.gz UNOPGEFLWGNGDP-OLZOCXBDSA-N 1 1 293.342 2.797 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000129165660 277070133 /nfs/dbraw/zinc/07/01/33/277070133.db2.gz FONZXADCSPTZQT-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292928650 277072835 /nfs/dbraw/zinc/07/28/35/277072835.db2.gz ZBZTVLXHJBDGPD-OAHLLOKOSA-N 1 1 293.342 2.656 20 5 CFBDMO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271635051 277539735 /nfs/dbraw/zinc/53/97/35/277539735.db2.gz PZMGRLUSFWJUIF-NEPJUHHUSA-N 1 1 293.367 2.501 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553819 278170738 /nfs/dbraw/zinc/17/07/38/278170738.db2.gz ZFKNFRKANAZMAK-NEPJUHHUSA-N 1 1 265.357 2.586 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628728 278274800 /nfs/dbraw/zinc/27/48/00/278274800.db2.gz RLGYINIOSYPFMM-MAZHCROVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628728 278274802 /nfs/dbraw/zinc/27/48/02/278274802.db2.gz RLGYINIOSYPFMM-MAZHCROVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536035 278279385 /nfs/dbraw/zinc/27/93/85/278279385.db2.gz YXXQFPZEUDVEQK-XHDPSFHLSA-N 1 1 277.368 2.763 20 5 CFBDMO C[C@H]1SCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118415784 280090766 /nfs/dbraw/zinc/09/07/66/280090766.db2.gz AMDOJGITLYVHAJ-WDEREUQCSA-N 1 1 266.366 2.921 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000339362176 281013643 /nfs/dbraw/zinc/01/36/43/281013643.db2.gz NXRRQJHWTSLZOK-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO Cc1c(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249541876 281062076 /nfs/dbraw/zinc/06/20/76/281062076.db2.gz FELNTLFELRUDSY-MLGOLLRUSA-N 1 1 292.379 2.886 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1O ZINC000252928673 281078751 /nfs/dbraw/zinc/07/87/51/281078751.db2.gz RAUWWFKPNOXFIF-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763224 281209496 /nfs/dbraw/zinc/20/94/96/281209496.db2.gz WQPNUKZWCWETQE-QWRGUYRKSA-N 1 1 298.770 2.699 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459454998 281265338 /nfs/dbraw/zinc/26/53/38/281265338.db2.gz DRJGRZMFZKDGOB-TXEJJXNPSA-N 1 1 295.358 2.648 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000515477755 281293975 /nfs/dbraw/zinc/29/39/75/281293975.db2.gz CNPVDOYURCAACH-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnccn2)cc1[N+](=O)[O-] ZINC000560604732 282036338 /nfs/dbraw/zinc/03/63/38/282036338.db2.gz ULASWJMENGCGHD-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000154760168 289903342 /nfs/dbraw/zinc/90/33/42/289903342.db2.gz LYPWHKQQJAUASQ-UHFFFAOYSA-N 1 1 287.319 2.510 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC1CCOCC1)C2 ZINC000562409957 290041460 /nfs/dbraw/zinc/04/14/60/290041460.db2.gz SQGIXUNZNQYRDL-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000563082029 290101445 /nfs/dbraw/zinc/10/14/45/290101445.db2.gz UEKLKRZBIASWNL-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000563082029 290101448 /nfs/dbraw/zinc/10/14/48/290101448.db2.gz UEKLKRZBIASWNL-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473012 290251588 /nfs/dbraw/zinc/25/15/88/290251588.db2.gz QTZLMXSNAADVME-WXYCVUISSA-N 1 1 289.379 2.715 20 5 CFBDMO Cc1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000565218812 290283888 /nfs/dbraw/zinc/28/38/88/290283888.db2.gz PEANHDCIYHCQQQ-ZDUSSCGKSA-N 1 1 273.292 2.668 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000166261496 322386103 /nfs/dbraw/zinc/38/61/03/322386103.db2.gz ZQFFMRFGHYXOFA-LRDDRELGSA-N 1 1 291.395 2.894 20 5 CFBDMO COC[C@@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189667501 324031681 /nfs/dbraw/zinc/03/16/81/324031681.db2.gz UZYMMTBRESSLEM-LBPRGKRZSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000583082155 325258845 /nfs/dbraw/zinc/25/88/45/325258845.db2.gz HXNRMTQVNKDGAO-HOCLYGCPSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000583844877 325314052 /nfs/dbraw/zinc/31/40/52/325314052.db2.gz JRAUWGCJDFSKIT-RYUDHWBXSA-N 1 1 275.352 2.940 20 5 CFBDMO CCCC[N@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000068853280 520535661 /nfs/dbraw/zinc/53/56/61/520535661.db2.gz XMXALRWLALNDFL-UHFFFAOYSA-N 1 1 284.331 2.982 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000068853280 520535670 /nfs/dbraw/zinc/53/56/70/520535670.db2.gz XMXALRWLALNDFL-UHFFFAOYSA-N 1 1 284.331 2.982 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156634097 521085096 /nfs/dbraw/zinc/08/50/96/521085096.db2.gz SNRYKIUEUZQDIJ-CYBMUJFWSA-N 1 1 279.384 2.976 20 5 CFBDMO CCN(CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156634097 521085110 /nfs/dbraw/zinc/08/51/10/521085110.db2.gz SNRYKIUEUZQDIJ-CYBMUJFWSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422949626 533976225 /nfs/dbraw/zinc/97/62/25/533976225.db2.gz UPZRVUZDZAPPMU-OBJOEFQTSA-N 1 1 277.368 2.634 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054128366 519627411 /nfs/dbraw/zinc/62/74/11/519627411.db2.gz PHULOYGSINOJLE-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361239647 520291678 /nfs/dbraw/zinc/29/16/78/520291678.db2.gz WSDQYZKQGFCVFH-DYLGSBMWSA-N 1 1 276.336 2.719 20 5 CFBDMO CC1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000174258133 520378656 /nfs/dbraw/zinc/37/86/56/520378656.db2.gz XZGUUPVJGXSFBI-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CC[N@@H+](CCNc1cc(OC)ccc1[N+](=O)[O-])C(C)C ZINC000338661487 521083595 /nfs/dbraw/zinc/08/35/95/521083595.db2.gz HTLRZWJSGOEQRY-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000300240635 522762196 /nfs/dbraw/zinc/76/21/96/522762196.db2.gz UGUBWVORUOPONX-NXEZZACHSA-N 1 1 297.330 2.637 20 5 CFBDMO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553779 522909085 /nfs/dbraw/zinc/90/90/85/522909085.db2.gz SQGNKSXFXSSMNP-SWLSCSKDSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072260 523281506 /nfs/dbraw/zinc/28/15/06/523281506.db2.gz DNPJZYIHTVJSNT-AWEZNQCLSA-N 1 1 280.393 2.965 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072037 523444723 /nfs/dbraw/zinc/44/47/23/523444723.db2.gz UASJQHLMKYSAIU-CQSZACIVSA-N 1 1 296.392 2.801 20 5 CFBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000076676159 523727946 /nfs/dbraw/zinc/72/79/46/523727946.db2.gz MZKSEODLSNWSOY-UHFFFAOYSA-N 1 1 296.367 2.578 20 5 CFBDMO Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000300420239 534748463 /nfs/dbraw/zinc/74/84/63/534748463.db2.gz AHQKVFVJXOFFIB-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO COc1ccc(Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000070423111 524261556 /nfs/dbraw/zinc/26/15/56/524261556.db2.gz NRVKVMWDTCVMGW-UHFFFAOYSA-N 1 1 275.308 2.972 20 5 CFBDMO Cc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000227535113 524699422 /nfs/dbraw/zinc/69/94/22/524699422.db2.gz ARJKSNAJKJEUCD-QWHCGFSZSA-N 1 1 275.352 2.942 20 5 CFBDMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000311764474 525272942 /nfs/dbraw/zinc/27/29/42/525272942.db2.gz GKCJQRSDJATNEH-JTQLQIEISA-N 1 1 267.304 2.548 20 5 CFBDMO Cc1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159608906 525315288 /nfs/dbraw/zinc/31/52/88/525315288.db2.gz OAHFZFAQZKEBOT-NWDGAFQWSA-N 1 1 275.352 2.940 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172954093 525460672 /nfs/dbraw/zinc/46/06/72/525460672.db2.gz YQRQSRQCHHHNDN-BETUJISGSA-N 1 1 276.336 2.691 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C ZINC000339251450 526160607 /nfs/dbraw/zinc/16/06/07/526160607.db2.gz AGABYXLCLWSEIK-LLVKDONJSA-N 1 1 293.367 2.900 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134571 536473617 /nfs/dbraw/zinc/47/36/17/536473617.db2.gz PCAFIPUUGWFIAR-QWHCGFSZSA-N 1 1 295.408 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000227378213 527348496 /nfs/dbraw/zinc/34/84/96/527348496.db2.gz YLSGSGQUKNXFTN-GOEBONIOSA-N 1 1 290.363 2.722 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154430213 527362377 /nfs/dbraw/zinc/36/23/77/527362377.db2.gz QKZJZAWXNUTYTQ-SBJJXXPASA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000367551487 527386747 /nfs/dbraw/zinc/38/67/47/527386747.db2.gz KCDLMTRGJRTFEA-CQSZACIVSA-N 1 1 286.335 2.528 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000246297262 527394805 /nfs/dbraw/zinc/39/48/05/527394805.db2.gz PKWAUEJNXGRJNX-HOTGVXAUSA-N 1 1 290.363 2.893 20 5 CFBDMO CC[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413083418 527801552 /nfs/dbraw/zinc/80/15/52/527801552.db2.gz JVJINGHXLUPUQV-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CCC[C@H](NCCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423201272 528219880 /nfs/dbraw/zinc/21/98/80/528219880.db2.gz OHNQKHSQAUHQAC-AWEZNQCLSA-N 1 1 265.357 2.635 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413312824 528353959 /nfs/dbraw/zinc/35/39/59/528353959.db2.gz QSXGIINZZVPGJM-SNVBAGLBSA-N 1 1 284.335 2.661 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000098135138 528942396 /nfs/dbraw/zinc/94/23/96/528942396.db2.gz FTUUERVNXOVFPY-OAHLLOKOSA-N 1 1 278.352 2.984 20 5 CFBDMO CCC[C@@H](NCCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423201273 529007016 /nfs/dbraw/zinc/00/70/16/529007016.db2.gz OHNQKHSQAUHQAC-CQSZACIVSA-N 1 1 265.357 2.635 20 5 CFBDMO CCn1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414208875 529172771 /nfs/dbraw/zinc/17/27/71/529172771.db2.gz MJIUNFKQDTXOPG-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449785926 535243040 /nfs/dbraw/zinc/24/30/40/535243040.db2.gz JYBLRBOZOVYYOI-AWEZNQCLSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)c1ccc(C[NH+]2CC(C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000459616118 535371371 /nfs/dbraw/zinc/37/13/71/535371371.db2.gz YKRSFWKPZWJFRF-UHFFFAOYSA-N 1 1 292.379 2.921 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C/C(Cl)=C\Cl)CC2 ZINC000754213488 574082763 /nfs/dbraw/zinc/08/27/63/574082763.db2.gz OXQJWBWHRPWDKQ-RUDMXATFSA-N 1 1 288.134 2.667 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C/C(Cl)=C\Cl)CC2 ZINC000754213488 574082764 /nfs/dbraw/zinc/08/27/64/574082764.db2.gz OXQJWBWHRPWDKQ-RUDMXATFSA-N 1 1 288.134 2.667 20 5 CFBDMO C[N@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209742 574112699 /nfs/dbraw/zinc/11/26/99/574112699.db2.gz YBMWFLIMGONSBW-JTQLQIEISA-N 1 1 292.364 2.711 20 5 CFBDMO CC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000738056820 574157168 /nfs/dbraw/zinc/15/71/68/574157168.db2.gz ZQBRLWFRUJEYJY-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756902195 574272230 /nfs/dbraw/zinc/27/22/30/574272230.db2.gz QVYHSHYUIZPHLB-BXUZGUMPSA-N 1 1 294.326 2.735 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000740887912 574272868 /nfs/dbraw/zinc/27/28/68/574272868.db2.gz HTPHYAQSZATSRF-NSHDSACASA-N 1 1 284.331 2.979 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673243 574304752 /nfs/dbraw/zinc/30/47/52/574304752.db2.gz SWUFIPUGCCVUDB-RISCZKNCSA-N 1 1 280.368 2.995 20 5 CFBDMO Cc1ccccc1[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725780559 574307249 /nfs/dbraw/zinc/30/72/49/574307249.db2.gz VNMWAFXEKGCAFL-ZDUSSCGKSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1ccccc1[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725780559 574307251 /nfs/dbraw/zinc/30/72/51/574307251.db2.gz VNMWAFXEKGCAFL-ZDUSSCGKSA-N 1 1 286.335 2.547 20 5 CFBDMO COc1ccc(CNc2ccc(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000742396156 574327848 /nfs/dbraw/zinc/32/78/48/574327848.db2.gz KGDJNXNBFOANEC-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934303838 617993259 /nfs/dbraw/zinc/99/32/59/617993259.db2.gz OPWHZYROPIWLAI-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO Cc1c(C[N@@H+](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000050107053 618080140 /nfs/dbraw/zinc/08/01/40/618080140.db2.gz HSJJXVMSRYXOKZ-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121251084 617608989 /nfs/dbraw/zinc/60/89/89/617608989.db2.gz WHOAVTNTFUQTGM-GFCCVEGCSA-N 1 1 288.351 2.942 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000097507033 617688225 /nfs/dbraw/zinc/68/82/25/617688225.db2.gz KFQIFVQQSNJSAL-CYBMUJFWSA-N 1 1 278.356 2.794 20 5 CFBDMO C[C@@H]([NH3+])C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000261968454 617754766 /nfs/dbraw/zinc/75/47/66/617754766.db2.gz QBQAOBXVVJCPNU-SNVBAGLBSA-N 1 1 297.786 2.807 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000891821734 617769317 /nfs/dbraw/zinc/76/93/17/617769317.db2.gz LPXVCACXSLDOQM-NSHDSACASA-N 1 1 294.351 2.931 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804678685 617799692 /nfs/dbraw/zinc/79/96/92/617799692.db2.gz PCQPOCFSXYYKSG-AWEZNQCLSA-N 1 1 292.383 2.709 20 5 CFBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000812781036 617897589 /nfs/dbraw/zinc/89/75/89/617897589.db2.gz YETWCBMEGHTCDG-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000812781036 617897595 /nfs/dbraw/zinc/89/75/95/617897595.db2.gz YETWCBMEGHTCDG-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000892101942 617950006 /nfs/dbraw/zinc/95/00/06/617950006.db2.gz OYEFVHXQSJBENV-ZJUUUORDSA-N 1 1 280.324 2.539 20 5 CFBDMO C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351053 618375553 /nfs/dbraw/zinc/37/55/53/618375553.db2.gz RROUQRDLOSBSDY-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO CC[C@H](CO)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641088 618903557 /nfs/dbraw/zinc/90/35/57/618903557.db2.gz VTMCTDDQHHHUCM-UONOGXRCSA-N 1 1 278.352 2.545 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055858 619316788 /nfs/dbraw/zinc/31/67/88/619316788.db2.gz NQZCZUHRISYCPJ-NWDGAFQWSA-N 1 1 266.345 2.649 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](CF)C1 ZINC000895575367 619558475 /nfs/dbraw/zinc/55/84/75/619558475.db2.gz SEVTXLFDFGYPTN-FHMRSRPSSA-N 1 1 264.300 2.899 20 5 CFBDMO C[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000895668229 619581845 /nfs/dbraw/zinc/58/18/45/619581845.db2.gz ZKHGWPUQMFXLEL-SNVBAGLBSA-N 1 1 287.323 2.624 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000895739217 619593669 /nfs/dbraw/zinc/59/36/69/619593669.db2.gz YAPPFXZPYLHMFF-CMPLNLGQSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000895741051 619593885 /nfs/dbraw/zinc/59/38/85/619593885.db2.gz XMTZXNBUBLGQQF-MFKMUULPSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895736318 619597349 /nfs/dbraw/zinc/59/73/49/619597349.db2.gz KUKUCAIMEBWSTN-ZYHUDNBSSA-N 1 1 286.335 2.648 20 5 CFBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000896914407 619884683 /nfs/dbraw/zinc/88/46/83/619884683.db2.gz DYGJSGGRXWOZHG-YGRLFVJLSA-N 1 1 295.770 2.636 20 5 CFBDMO Cc1c[nH]nc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463758 620177105 /nfs/dbraw/zinc/17/71/05/620177105.db2.gz ILQPNDQXDQIDJM-JTQLQIEISA-N 1 1 274.324 2.520 20 5 CFBDMO C[N@H+]1CCN(c2ccsc2[N+](=O)[O-])CCC1(C)C ZINC000866109115 620378455 /nfs/dbraw/zinc/37/84/55/620378455.db2.gz CMASQWXQHBPVBT-UHFFFAOYSA-N 1 1 269.370 2.577 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000923892063 620445448 /nfs/dbraw/zinc/44/54/48/620445448.db2.gz MDMJIJCCFDNZNR-LLVKDONJSA-N 1 1 298.364 2.572 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000923892063 620445450 /nfs/dbraw/zinc/44/54/50/620445450.db2.gz MDMJIJCCFDNZNR-LLVKDONJSA-N 1 1 298.364 2.572 20 5 CFBDMO Cn1c[nH+]cc1CCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000902422775 621074339 /nfs/dbraw/zinc/07/43/39/621074339.db2.gz FOPYOXXUIIIPNO-UHFFFAOYSA-N 1 1 297.261 2.618 20 5 CFBDMO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccccc1[N+](=O)[O-] ZINC000902430070 621076770 /nfs/dbraw/zinc/07/67/70/621076770.db2.gz OAXLHTRSNKDHGR-VHDGCEQUSA-N 1 1 291.395 2.948 20 5 CFBDMO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000902674274 621145916 /nfs/dbraw/zinc/14/59/16/621145916.db2.gz PLANOZDVSXWPKF-OLZOCXBDSA-N 1 1 292.383 2.876 20 5 CFBDMO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000172350392 623277898 /nfs/dbraw/zinc/27/78/98/623277898.db2.gz NBRKGMRXSPDCFK-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO CC1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000173437150 623349264 /nfs/dbraw/zinc/34/92/64/623349264.db2.gz CLJNOEZERBKDDD-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153273678 623911626 /nfs/dbraw/zinc/91/16/26/623911626.db2.gz NZDVJZJNJWEBTQ-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153273678 623911627 /nfs/dbraw/zinc/91/16/27/623911627.db2.gz NZDVJZJNJWEBTQ-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO CC(C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288141 623913658 /nfs/dbraw/zinc/91/36/58/623913658.db2.gz QNOMBIZBUZEYAW-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288141 623913663 /nfs/dbraw/zinc/91/36/63/623913663.db2.gz QNOMBIZBUZEYAW-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO CCC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828105420 624174567 /nfs/dbraw/zinc/17/45/67/624174567.db2.gz BZQXTENWVCDGEK-LBPRGKRZSA-N 1 1 286.759 2.841 20 5 CFBDMO CCC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828105420 624174570 /nfs/dbraw/zinc/17/45/70/624174570.db2.gz BZQXTENWVCDGEK-LBPRGKRZSA-N 1 1 286.759 2.841 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOc1ccccc1[N+](=O)[O-] ZINC000916475293 624248605 /nfs/dbraw/zinc/24/86/05/624248605.db2.gz ZSXBEAIIWMMJBX-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCCCC1 ZINC000174837707 624318716 /nfs/dbraw/zinc/31/87/16/624318716.db2.gz ONLKFRHEHUMTQU-UHFFFAOYSA-N 1 1 280.372 2.836 20 5 CFBDMO COc1ccc(OCC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000917931653 624397167 /nfs/dbraw/zinc/39/71/67/624397167.db2.gz PHVXVABLJZNAQC-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO CC(C)CC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000068961122 625041201 /nfs/dbraw/zinc/04/12/01/625041201.db2.gz ZBSRMLQSWZGKGS-UHFFFAOYSA-N 1 1 276.340 2.880 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000831533717 625044475 /nfs/dbraw/zinc/04/44/75/625044475.db2.gz KBTDBPHPFYNCIR-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO [NH3+]CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171164 625279581 /nfs/dbraw/zinc/27/95/81/625279581.db2.gz PKGODBUSCRUNMU-LLVKDONJSA-N 1 1 297.786 2.809 20 5 CFBDMO COC(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000851735729 634500386 /nfs/dbraw/zinc/50/03/86/634500386.db2.gz IXGRQCBQVMJIMA-UHFFFAOYSA-N 1 1 296.367 2.814 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cncc(O)c1 ZINC000922975255 626435780 /nfs/dbraw/zinc/43/57/80/626435780.db2.gz CLFJUIKPQBTPNI-UHFFFAOYSA-N 1 1 287.319 2.602 20 5 CFBDMO CC[N@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000929378109 626464397 /nfs/dbraw/zinc/46/43/97/626464397.db2.gz BCYQRTPXLZMLBH-UHFFFAOYSA-N 1 1 287.157 2.548 20 5 CFBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000929378109 626464398 /nfs/dbraw/zinc/46/43/98/626464398.db2.gz BCYQRTPXLZMLBH-UHFFFAOYSA-N 1 1 287.157 2.548 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923496423 626476437 /nfs/dbraw/zinc/47/64/37/626476437.db2.gz IDZHDERHMCPFTB-GHMZBOCLSA-N 1 1 297.786 2.665 20 5 CFBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C[NH3+] ZINC000923499742 626477378 /nfs/dbraw/zinc/47/73/78/626477378.db2.gz SXNIDBYBPLCHAZ-QWRGUYRKSA-N 1 1 297.786 2.665 20 5 CFBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839497110 626538069 /nfs/dbraw/zinc/53/80/69/626538069.db2.gz UWBABBPENIASTK-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839512161 626538414 /nfs/dbraw/zinc/53/84/14/626538414.db2.gz JMLRIXWNJQFDCQ-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659017 626549844 /nfs/dbraw/zinc/54/98/44/626549844.db2.gz UQUOHEVZJOFJQX-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000839681126 626552173 /nfs/dbraw/zinc/55/21/73/626552173.db2.gz PRAPFYAEZMXEQL-ZBFHGGJFSA-N 1 1 290.363 2.750 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000763334110 626981055 /nfs/dbraw/zinc/98/10/55/626981055.db2.gz UXHUGKWEQSDLJC-LBPRGKRZSA-N 1 1 286.335 2.634 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765049316 627115604 /nfs/dbraw/zinc/11/56/04/627115604.db2.gz OSVGYUYWIMMXJW-JTQLQIEISA-N 1 1 274.324 2.695 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636525 627151901 /nfs/dbraw/zinc/15/19/01/627151901.db2.gz QJYNRDNLKWNCPN-WDEREUQCSA-N 1 1 281.331 2.653 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000765640991 627152649 /nfs/dbraw/zinc/15/26/49/627152649.db2.gz IRQBBOHXSFYCIS-NEPJUHHUSA-N 1 1 263.341 2.514 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768773759 627371378 /nfs/dbraw/zinc/37/13/78/627371378.db2.gz PTIONFZKFNKIOV-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO CO[C@H]1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018525 634628715 /nfs/dbraw/zinc/62/87/15/634628715.db2.gz NYGATSRJYOYWAK-HIFRSBDPSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1occc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276894 628125224 /nfs/dbraw/zinc/12/52/24/628125224.db2.gz LPZUQHGXOFWPBL-HNNXBMFYSA-N 1 1 290.319 2.662 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579689 628160600 /nfs/dbraw/zinc/16/06/00/628160600.db2.gz NYCVVALYKNKHKS-BDJLRTHQSA-N 1 1 290.363 2.891 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000776581899 628160607 /nfs/dbraw/zinc/16/06/07/628160607.db2.gz OMYRTFKQOSOZPC-GJZGRUSLSA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591585 628163049 /nfs/dbraw/zinc/16/30/49/628163049.db2.gz KRCBKFSUVDPVKI-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593205 628163335 /nfs/dbraw/zinc/16/33/35/628163335.db2.gz RMIGFXSXUSYWPL-CYBMUJFWSA-N 1 1 266.341 2.749 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000778954475 628341257 /nfs/dbraw/zinc/34/12/57/628341257.db2.gz WZOJUKLBZRPWKB-QWHCGFSZSA-N 1 1 277.368 2.600 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588818 628562522 /nfs/dbraw/zinc/56/25/22/628562522.db2.gz XIUYLZIFMLJSAQ-XHDPSFHLSA-N 1 1 292.383 2.878 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O ZINC000783558558 628720115 /nfs/dbraw/zinc/72/01/15/628720115.db2.gz DHXBJLBMWLKECL-JTQLQIEISA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659057 628731622 /nfs/dbraw/zinc/73/16/22/628731622.db2.gz FYLYMOQUIXPDID-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679755 628733905 /nfs/dbraw/zinc/73/39/05/628733905.db2.gz RCKRELRKARCBKF-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000784384753 628812903 /nfs/dbraw/zinc/81/29/03/628812903.db2.gz DTISXGDEUGOJEM-XJKSGUPXSA-N 1 1 290.363 2.916 20 5 CFBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000785736763 628909505 /nfs/dbraw/zinc/90/95/05/628909505.db2.gz XKWOCWSECROTQS-RYUDHWBXSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801428 629101206 /nfs/dbraw/zinc/10/12/06/629101206.db2.gz ABFKLWCDSCCSRM-SECBINFHSA-N 1 1 290.298 2.562 20 5 CFBDMO C[C@@H](O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000789329333 629147397 /nfs/dbraw/zinc/14/73/97/629147397.db2.gz FDGUXWOOPURTRX-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H](O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000789329333 629147401 /nfs/dbraw/zinc/14/74/01/629147401.db2.gz FDGUXWOOPURTRX-SNVBAGLBSA-N 1 1 286.759 2.841 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290486 634712367 /nfs/dbraw/zinc/71/23/67/634712367.db2.gz JILHGKKEBCEYFJ-BXUZGUMPSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290488 634712462 /nfs/dbraw/zinc/71/24/62/634712462.db2.gz JILHGKKEBCEYFJ-RISCZKNCSA-N 1 1 266.341 2.749 20 5 CFBDMO CC(C)CC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789587606 629169337 /nfs/dbraw/zinc/16/93/37/629169337.db2.gz HQVZRKWIHIKVMJ-UHFFFAOYSA-N 1 1 296.283 2.548 20 5 CFBDMO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000791052326 629284395 /nfs/dbraw/zinc/28/43/95/629284395.db2.gz MCIXOFIDELXYHK-ZFWWWQNUSA-N 1 1 262.353 2.779 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793258611 629516259 /nfs/dbraw/zinc/51/62/59/629516259.db2.gz LDTWLCFMZDSRFV-JTQLQIEISA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cccnc2F)cc1[N+](=O)[O-] ZINC000793281901 629519350 /nfs/dbraw/zinc/51/93/50/629519350.db2.gz SDLZMASJUFWKMF-UHFFFAOYSA-N 1 1 275.283 2.727 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CCO ZINC000852461036 634749981 /nfs/dbraw/zinc/74/99/81/634749981.db2.gz FMZRVAJPEMXSTR-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO CC[C@@H]1CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000793822565 629599296 /nfs/dbraw/zinc/59/92/96/629599296.db2.gz YMMWHMJOFJENLT-CQSZACIVSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@H]1CC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000793822565 629599297 /nfs/dbraw/zinc/59/92/97/629599297.db2.gz YMMWHMJOFJENLT-CQSZACIVSA-N 1 1 286.335 2.900 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534985 634773277 /nfs/dbraw/zinc/77/32/77/634773277.db2.gz SPYHJHQZXRPQHO-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000852533699 634773512 /nfs/dbraw/zinc/77/35/12/634773512.db2.gz XJIAJNSVLYIIEM-SWLSCSKDSA-N 1 1 296.342 2.700 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633948 634794417 /nfs/dbraw/zinc/79/44/17/634794417.db2.gz DPBUTWLXEKKWMW-NXEZZACHSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633948 634794422 /nfs/dbraw/zinc/79/44/22/634794422.db2.gz DPBUTWLXEKKWMW-NXEZZACHSA-N 1 1 250.273 2.576 20 5 CFBDMO C[N@@H+](CCCCCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000801601647 630461760 /nfs/dbraw/zinc/46/17/60/630461760.db2.gz JKQTUVMWRYZRLJ-UHFFFAOYSA-N 1 1 280.368 2.622 20 5 CFBDMO CC[N@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000804572434 630756979 /nfs/dbraw/zinc/75/69/79/630756979.db2.gz BSGVIZXHPXBKKG-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718357 631270379 /nfs/dbraw/zinc/27/03/79/631270379.db2.gz SZSQJLXDSALPFZ-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO NC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000841086178 631334622 /nfs/dbraw/zinc/33/46/22/631334622.db2.gz FOTYGFMCCCFPIO-CYBMUJFWSA-N 1 1 297.786 2.855 20 5 CFBDMO CCn1cncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841867331 631484794 /nfs/dbraw/zinc/48/47/94/631484794.db2.gz KTXTYBKKZUUDBE-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO [NH3+]CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843113625 631838620 /nfs/dbraw/zinc/83/86/20/631838620.db2.gz ZOKOGERWIZTVNH-NSHDSACASA-N 1 1 297.786 2.809 20 5 CFBDMO C[C@@H]([NH2+]C1CC1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219028 631900862 /nfs/dbraw/zinc/90/08/62/631900862.db2.gz PUPZULTZOVDUPU-ZCFIWIBFSA-N 1 1 280.309 2.519 20 5 CFBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251966 632045304 /nfs/dbraw/zinc/04/53/04/632045304.db2.gz YOMXLYMXQSXIQU-HUUCEWRRSA-N 1 1 292.379 2.995 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477034 633263441 /nfs/dbraw/zinc/26/34/41/633263441.db2.gz NCGIUNVKOYPIQW-GFCCVEGCSA-N 1 1 286.335 2.758 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000853555310 635035938 /nfs/dbraw/zinc/03/59/38/635035938.db2.gz VLSCONFVHKUHFQ-CQSZACIVSA-N 1 1 292.383 2.959 20 5 CFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000853687291 635074900 /nfs/dbraw/zinc/07/49/00/635074900.db2.gz SFSSZKLDYDBBIC-NSHDSACASA-N 1 1 281.331 2.654 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000853906015 635157007 /nfs/dbraw/zinc/15/70/07/635157007.db2.gz JDSNABAJZBAEQK-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(F)c1 ZINC000859296145 636534450 /nfs/dbraw/zinc/53/44/50/636534450.db2.gz CEPXXMNQBBRQHJ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CCCC[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077432883 650424342 /nfs/dbraw/zinc/42/43/42/650424342.db2.gz LWXLSQQKRYPKOE-UHFFFAOYSA-N 1 1 289.339 2.543 20 5 CFBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000866113651 638744381 /nfs/dbraw/zinc/74/43/81/638744381.db2.gz BXGLWUZRMQQSLP-UHFFFAOYSA-N 1 1 263.341 2.515 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000122115966 638937262 /nfs/dbraw/zinc/93/72/62/638937262.db2.gz VWSGCOOOTZREFW-GFCCVEGCSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019963 641550913 /nfs/dbraw/zinc/55/09/13/641550913.db2.gz BDMSUJKXKPIFRA-BXKDBHETSA-N 1 1 294.282 2.711 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@H+](C)C1 ZINC000872030811 641560531 /nfs/dbraw/zinc/56/05/31/641560531.db2.gz CPBUTQHVRZUHGU-GHMZBOCLSA-N 1 1 295.408 2.671 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@@H+](C)C1 ZINC000872030811 641560536 /nfs/dbraw/zinc/56/05/36/641560536.db2.gz CPBUTQHVRZUHGU-GHMZBOCLSA-N 1 1 295.408 2.671 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037509 641570516 /nfs/dbraw/zinc/57/05/16/641570516.db2.gz CNUPUHZDFXTCBE-WOPDTQHZSA-N 1 1 295.358 2.867 20 5 CFBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872254863 641718988 /nfs/dbraw/zinc/71/89/88/641718988.db2.gz MAIGKWJIPBVLJM-ZNMIVQPWSA-N 1 1 290.363 2.576 20 5 CFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781034 641934896 /nfs/dbraw/zinc/93/48/96/641934896.db2.gz PCZGTEPTKVKIGD-UONOGXRCSA-N 1 1 295.770 2.921 20 5 CFBDMO Cc1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781387 641936274 /nfs/dbraw/zinc/93/62/74/641936274.db2.gz SMXKJZCNSLVVME-CHWSQXEVSA-N 1 1 275.352 2.576 20 5 CFBDMO CCn1nccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000873183814 642053774 /nfs/dbraw/zinc/05/37/74/642053774.db2.gz KUFZVDXCMQKXMH-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CCO)C1 ZINC000876693203 642977084 /nfs/dbraw/zinc/97/70/84/642977084.db2.gz BDCUWQPJQQRNOF-CQSZACIVSA-N 1 1 292.379 2.806 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000876804933 643016590 /nfs/dbraw/zinc/01/65/90/643016590.db2.gz WKYAPTAGRYUGAL-BBRMVZONSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000877169905 643186035 /nfs/dbraw/zinc/18/60/35/643186035.db2.gz HGTHNWIZGCSHQK-ZIAGYGMSSA-N 1 1 292.379 2.804 20 5 CFBDMO Cc1c(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530705 643335057 /nfs/dbraw/zinc/33/50/57/643335057.db2.gz GDNMGPINBGDDIB-DOMZBBRYSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530705 643335061 /nfs/dbraw/zinc/33/50/61/643335061.db2.gz GDNMGPINBGDDIB-DOMZBBRYSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530705 643335065 /nfs/dbraw/zinc/33/50/65/643335065.db2.gz GDNMGPINBGDDIB-DOMZBBRYSA-N 1 1 291.395 2.675 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877736677 643495588 /nfs/dbraw/zinc/49/55/88/643495588.db2.gz ANAZOCNEWTWFDZ-OLZOCXBDSA-N 1 1 278.377 2.780 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877751583 643527732 /nfs/dbraw/zinc/52/77/32/643527732.db2.gz HGLWPIFMQPXCHY-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877751583 643527736 /nfs/dbraw/zinc/52/77/36/643527736.db2.gz HGLWPIFMQPXCHY-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877752417 643528647 /nfs/dbraw/zinc/52/86/47/643528647.db2.gz FKPPYCGXPGEJPO-HZRUHFOJSA-N 1 1 290.363 2.701 20 5 CFBDMO CC1(C)C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877751979 643529605 /nfs/dbraw/zinc/52/96/05/643529605.db2.gz ASHAKOMKQSHHNU-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877751979 643529609 /nfs/dbraw/zinc/52/96/09/643529609.db2.gz ASHAKOMKQSHHNU-LBPRGKRZSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877796387 643562737 /nfs/dbraw/zinc/56/27/37/643562737.db2.gz FKFOQYLTEHGORN-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877796387 643562740 /nfs/dbraw/zinc/56/27/40/643562740.db2.gz FKFOQYLTEHGORN-LLVKDONJSA-N 1 1 284.381 2.639 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000878920786 644076160 /nfs/dbraw/zinc/07/61/60/644076160.db2.gz VZLIXSQIRSDBMR-DOMZBBRYSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000879147595 644158516 /nfs/dbraw/zinc/15/85/16/644158516.db2.gz DCYQSXYVLYONMS-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000879147595 644158525 /nfs/dbraw/zinc/15/85/25/644158525.db2.gz DCYQSXYVLYONMS-PWSUYJOCSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322286 644228275 /nfs/dbraw/zinc/22/82/75/644228275.db2.gz UKWKQHQBMASILZ-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322286 644228278 /nfs/dbraw/zinc/22/82/78/644228278.db2.gz UKWKQHQBMASILZ-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880233629 644594515 /nfs/dbraw/zinc/59/45/15/644594515.db2.gz YKZBBVMBYSRJON-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880233629 644594519 /nfs/dbraw/zinc/59/45/19/644594519.db2.gz YKZBBVMBYSRJON-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880233992 644595005 /nfs/dbraw/zinc/59/50/05/644595005.db2.gz GJMMMAZNVSKDDU-LBPRGKRZSA-N 1 1 252.289 2.776 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880235023 644596234 /nfs/dbraw/zinc/59/62/34/644596234.db2.gz MXZUSJLAFOPCEW-LBPRGKRZSA-N 1 1 282.315 2.655 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880294248 644633506 /nfs/dbraw/zinc/63/35/06/644633506.db2.gz AKRXDSYCXJHHBK-LLVKDONJSA-N 1 1 252.289 2.695 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccn1 ZINC000094773236 650963384 /nfs/dbraw/zinc/96/33/84/650963384.db2.gz NGOWAGLDQXRYCO-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO CC(=O)c1c(NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000881961561 645163860 /nfs/dbraw/zinc/16/38/60/645163860.db2.gz ZJSZGWGSAFBKNB-GFCCVEGCSA-N 1 1 291.351 2.551 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882524073 645352969 /nfs/dbraw/zinc/35/29/69/645352969.db2.gz VGOPMAPLGUALEU-UHFFFAOYSA-N 1 1 284.335 2.519 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882961858 645531442 /nfs/dbraw/zinc/53/14/42/645531442.db2.gz ZNMIPEKDMXNQBH-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000305141051 651051573 /nfs/dbraw/zinc/05/15/73/651051573.db2.gz MJFNRTCOVSNRRL-JTQLQIEISA-N 1 1 286.759 2.839 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4C[C@@H]4C3)c2c1 ZINC000884592949 646475803 /nfs/dbraw/zinc/47/58/03/646475803.db2.gz ZLWBDFOGDABOET-AOOOYVTPSA-N 1 1 255.277 2.599 20 5 CFBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027774 646826708 /nfs/dbraw/zinc/82/67/08/646826708.db2.gz ILOQECQYJJLJGR-DOMZBBRYSA-N 1 1 293.367 2.625 20 5 CFBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027774 646826710 /nfs/dbraw/zinc/82/67/10/646826710.db2.gz ILOQECQYJJLJGR-DOMZBBRYSA-N 1 1 293.367 2.625 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000886038568 646835274 /nfs/dbraw/zinc/83/52/74/646835274.db2.gz YSHKZJSHYXQWHN-HNNXBMFYSA-N 1 1 283.331 2.807 20 5 CFBDMO CC(C)(C)OC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886040210 646836324 /nfs/dbraw/zinc/83/63/24/646836324.db2.gz UMCXLDCNWXPXBL-UHFFFAOYSA-N 1 1 293.367 2.769 20 5 CFBDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134476 646888697 /nfs/dbraw/zinc/88/86/97/646888697.db2.gz SSRWLCSNCGWALN-WFASDCNBSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134476 646888700 /nfs/dbraw/zinc/88/87/00/646888700.db2.gz SSRWLCSNCGWALN-WFASDCNBSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166992 646905016 /nfs/dbraw/zinc/90/50/16/646905016.db2.gz XNQJMKGWMPNHBY-WOPDTQHZSA-N 1 1 263.341 2.856 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000886204369 646918875 /nfs/dbraw/zinc/91/88/75/646918875.db2.gz CMJLSDYVQOVTCA-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000886207692 646921124 /nfs/dbraw/zinc/92/11/24/646921124.db2.gz JVHOGRSETIJQHK-UHFFFAOYSA-N 1 1 285.294 3.000 20 5 CFBDMO C[C@@H]1Cc2[nH+]cn(Cc3cccnc3[N+](=O)[O-])c2C[C@@H]1C ZINC000886225997 646929435 /nfs/dbraw/zinc/92/94/35/646929435.db2.gz FVNSYHQQUWZLNY-MNOVXSKESA-N 1 1 286.335 2.605 20 5 CFBDMO C[C@@H]1Cc2[nH+]cn(Cc3cccnc3[N+](=O)[O-])c2C[C@H]1C ZINC000886225996 646929614 /nfs/dbraw/zinc/92/96/14/646929614.db2.gz FVNSYHQQUWZLNY-GHMZBOCLSA-N 1 1 286.335 2.605 20 5 CFBDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314315 646965792 /nfs/dbraw/zinc/96/57/92/646965792.db2.gz SSAYCWYQORJTDK-NSHDSACASA-N 1 1 289.257 2.764 20 5 CFBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314315 646965795 /nfs/dbraw/zinc/96/57/95/646965795.db2.gz SSAYCWYQORJTDK-NSHDSACASA-N 1 1 289.257 2.764 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000886676989 647105618 /nfs/dbraw/zinc/10/56/18/647105618.db2.gz PLDXLDVFMHFJTA-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000886821375 647152381 /nfs/dbraw/zinc/15/23/81/647152381.db2.gz BOOZUHNQCLJSGU-DOMZBBRYSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000886821377 647152778 /nfs/dbraw/zinc/15/27/78/647152778.db2.gz BOOZUHNQCLJSGU-SWLSCSKDSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886830736 647155647 /nfs/dbraw/zinc/15/56/47/647155647.db2.gz WSUFURWINQSCBF-DOMZBBRYSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886832495 647156939 /nfs/dbraw/zinc/15/69/39/647156939.db2.gz JGFSCRSZZFYTCZ-GDBMZVCRSA-N 1 1 290.363 2.638 20 5 CFBDMO C[C@@H]([NH3+])[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496672 647883745 /nfs/dbraw/zinc/88/37/45/647883745.db2.gz RZQBOLATNSNDEL-CXAGYDPISA-N 1 1 299.374 2.815 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925575919 648224210 /nfs/dbraw/zinc/22/42/10/648224210.db2.gz JANGULHTTMMWEG-TUKIKUTGSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H](N)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000925631705 648251094 /nfs/dbraw/zinc/25/10/94/648251094.db2.gz WRUIRXFTHLNMKG-DYVFJYSZSA-N 1 1 299.374 2.815 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000929604984 649077201 /nfs/dbraw/zinc/07/72/01/649077201.db2.gz YVJDQNFISFKGRB-KRWDZBQOSA-N 1 1 282.343 2.911 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000929604984 649077206 /nfs/dbraw/zinc/07/72/06/649077206.db2.gz YVJDQNFISFKGRB-KRWDZBQOSA-N 1 1 282.343 2.911 20 5 CFBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000929760272 649114702 /nfs/dbraw/zinc/11/47/02/649114702.db2.gz QRQIFFZFEHSSAB-JQWIXIFHSA-N 1 1 252.314 2.638 20 5 CFBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC[N+](=O)[O-])o1 ZINC000929760272 649114708 /nfs/dbraw/zinc/11/47/08/649114708.db2.gz QRQIFFZFEHSSAB-JQWIXIFHSA-N 1 1 252.314 2.638 20 5 CFBDMO CC(C)(C)[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000929833321 649134637 /nfs/dbraw/zinc/13/46/37/649134637.db2.gz HRMJEAVSDVVWEI-UHFFFAOYSA-N 1 1 254.305 2.703 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)nn1 ZINC000930234737 649211168 /nfs/dbraw/zinc/21/11/68/649211168.db2.gz GIDRAEKXYBWKIR-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000930449005 649250058 /nfs/dbraw/zinc/25/00/58/649250058.db2.gz KRRIBPUVKOOHAY-GXTWGEPZSA-N 1 1 278.352 2.745 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)c1[N+](=O)[O-] ZINC000932168097 649556665 /nfs/dbraw/zinc/55/66/65/649556665.db2.gz SUDFKDQQGMCNMG-LLVKDONJSA-N 1 1 297.355 2.671 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2COC(C)(C)C)c1[N+](=O)[O-] ZINC000932168097 649556666 /nfs/dbraw/zinc/55/66/66/649556666.db2.gz SUDFKDQQGMCNMG-LLVKDONJSA-N 1 1 297.355 2.671 20 5 CFBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647892 649633637 /nfs/dbraw/zinc/63/36/37/649633637.db2.gz AFDDUBMDJMELHR-YPMHNXCESA-N 1 1 292.335 2.541 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000932971273 649665438 /nfs/dbraw/zinc/66/54/38/649665438.db2.gz HNROMHGYCHHEIF-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000932970618 649665449 /nfs/dbraw/zinc/66/54/49/649665449.db2.gz CDMKZQXELPDFHA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000932970618 649665450 /nfs/dbraw/zinc/66/54/50/649665450.db2.gz CDMKZQXELPDFHA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000933705866 649716311 /nfs/dbraw/zinc/71/63/11/649716311.db2.gz NTYYUXNDQKSJEM-ZAZJYDDPSA-N 1 1 291.351 2.759 20 5 CFBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105831 649750131 /nfs/dbraw/zinc/75/01/31/649750131.db2.gz QFMQPWSUKMUPPI-JSGCOSHPSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934301484 649770544 /nfs/dbraw/zinc/77/05/44/649770544.db2.gz VFYMYZXUWVCJRH-NSHDSACASA-N 1 1 266.366 2.922 20 5 CFBDMO COC[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001167646764 773210596 /nfs/dbraw/zinc/21/05/96/773210596.db2.gz GNQCVMOGHBBJIK-OAHLLOKOSA-N 1 1 292.379 2.872 20 5 CFBDMO Cc1nc(C)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000724674305 773239918 /nfs/dbraw/zinc/23/99/18/773239918.db2.gz QFYBKBMOJJUJLR-SECBINFHSA-N 1 1 274.324 2.786 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1Cl ZINC000724799535 775105238 /nfs/dbraw/zinc/10/52/38/775105238.db2.gz CGURDAUWCAGVOA-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1Cl ZINC000724799535 775105245 /nfs/dbraw/zinc/10/52/45/775105245.db2.gz CGURDAUWCAGVOA-RISCZKNCSA-N 1 1 296.754 2.859 20 5 CFBDMO Cc1cnc(CO[C@H]2CCC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC001224182027 775121605 /nfs/dbraw/zinc/12/16/05/775121605.db2.gz DNHWBYCNXXXDSV-ZDUSSCGKSA-N 1 1 293.367 2.608 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224330095 775159151 /nfs/dbraw/zinc/15/91/51/775159151.db2.gz CHDQXMFOOKAYTI-OAHLLOKOSA-N 1 1 278.352 2.637 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225383358 775437257 /nfs/dbraw/zinc/43/72/57/775437257.db2.gz YXGVMIMRWOGNQK-JTQLQIEISA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383919 775437796 /nfs/dbraw/zinc/43/77/96/775437796.db2.gz IUQYYFNKHVYLTK-LLVKDONJSA-N 1 1 268.288 2.597 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225580134 775510063 /nfs/dbraw/zinc/51/00/63/775510063.db2.gz ZEWSMWOJSIIBPC-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO Cc1c(O[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689930 775559877 /nfs/dbraw/zinc/55/98/77/775559877.db2.gz RPVPCNJFFIDHHJ-GFCCVEGCSA-N 1 1 264.325 2.765 20 5 CFBDMO O=[N+]([O-])c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1Cl ZINC001225786203 775593374 /nfs/dbraw/zinc/59/33/74/775593374.db2.gz QEWXHMIYMUJWTF-GFCCVEGCSA-N 1 1 282.727 2.721 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225904389 775629705 /nfs/dbraw/zinc/62/97/05/775629705.db2.gz CLPIOKVUCCZEKT-NSHDSACASA-N 1 1 268.288 2.595 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225915734 775633397 /nfs/dbraw/zinc/63/33/97/775633397.db2.gz MKHBEXYBCSZIEU-GFCCVEGCSA-N 1 1 282.315 2.986 20 5 CFBDMO Cc1ccnc(O[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001226120519 775707446 /nfs/dbraw/zinc/70/74/46/775707446.db2.gz USRBSHGAKYHKRD-LBPRGKRZSA-N 1 1 279.340 2.550 20 5 CFBDMO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203508 775737083 /nfs/dbraw/zinc/73/70/83/775737083.db2.gz HLTUIQOOXRTFLH-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203508 775737087 /nfs/dbraw/zinc/73/70/87/775737087.db2.gz HLTUIQOOXRTFLH-SSDOTTSWSA-N 1 1 291.134 2.985 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270549 775764081 /nfs/dbraw/zinc/76/40/81/775764081.db2.gz SDHIOMSDYDFQNB-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001226446575 775825157 /nfs/dbraw/zinc/82/51/57/775825157.db2.gz NBJXNADDRGSRPX-ZDUSSCGKSA-N 1 1 294.351 2.855 20 5 CFBDMO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810355 775972802 /nfs/dbraw/zinc/97/28/02/775972802.db2.gz MZTWRDBIODAMJQ-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810355 775972805 /nfs/dbraw/zinc/97/28/05/775972805.db2.gz MZTWRDBIODAMJQ-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001226809921 775973049 /nfs/dbraw/zinc/97/30/49/775973049.db2.gz HQFGJGOOEPZISU-SNVBAGLBSA-N 1 1 293.710 2.839 20 5 CFBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226842571 775986853 /nfs/dbraw/zinc/98/68/53/775986853.db2.gz VZNPJSYJYZOQFY-ZDUSSCGKSA-N 1 1 264.325 2.765 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915162 776016253 /nfs/dbraw/zinc/01/62/53/776016253.db2.gz FEGUDHCAGHTWEH-JTQLQIEISA-N 1 1 299.758 2.895 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001228258446 776435749 /nfs/dbraw/zinc/43/57/49/776435749.db2.gz YIPMFNBJHRSATH-NSHDSACASA-N 1 1 293.710 2.839 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228915599 776657601 /nfs/dbraw/zinc/65/76/01/776657601.db2.gz HQSNYMFYPQTWNE-DABQJJPHSA-N 1 1 276.336 2.907 20 5 CFBDMO Cc1cc(OC2C[NH+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229466020 776819916 /nfs/dbraw/zinc/81/99/16/776819916.db2.gz HWPXFZSUCAYBER-UHFFFAOYSA-N 1 1 264.325 2.683 20 5 CFBDMO Cc1cc(O[C@H]2CCC[N@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC001229466483 776821436 /nfs/dbraw/zinc/82/14/36/776821436.db2.gz PMHSQZXOMDGMRG-LBPRGKRZSA-N 1 1 264.325 2.685 20 5 CFBDMO Cc1cc(O)c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755688 776888579 /nfs/dbraw/zinc/88/85/79/776888579.db2.gz ZMLBQNSNADDBOF-GFCCVEGCSA-N 1 1 294.351 2.860 20 5 CFBDMO Cc1cc(O)c(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755688 776888586 /nfs/dbraw/zinc/88/85/86/776888586.db2.gz ZMLBQNSNADDBOF-GFCCVEGCSA-N 1 1 294.351 2.860 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916876 776917971 /nfs/dbraw/zinc/91/79/71/776917971.db2.gz DJAQTCAEYZIAKH-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1cc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229979283 776931495 /nfs/dbraw/zinc/93/14/95/776931495.db2.gz RKVURNVYIKHZHY-SECBINFHSA-N 1 1 270.716 2.640 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230872310 777078367 /nfs/dbraw/zinc/07/83/67/777078367.db2.gz LVLOUDIMCQYUCD-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230878537 777079412 /nfs/dbraw/zinc/07/94/12/777079412.db2.gz FXQBAMMKXCYKNO-JTQLQIEISA-N 1 1 299.758 2.895 20 5 CFBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001231058844 777128593 /nfs/dbraw/zinc/12/85/93/777128593.db2.gz DDYRWPRABNACPN-GFCCVEGCSA-N 1 1 287.319 2.802 20 5 CFBDMO C[C@]1(O)CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219678 777479576 /nfs/dbraw/zinc/47/95/76/777479576.db2.gz YFIUIZTWCQLZBD-SFHVURJKSA-N 1 1 293.370 2.740 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087664 778161982 /nfs/dbraw/zinc/16/19/82/778161982.db2.gz QNSMIOZWFNYPKD-CYBMUJFWSA-N 1 1 279.343 2.866 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594519866 349439846 /nfs/dbraw/zinc/43/98/46/349439846.db2.gz MEVZPXZSMGOBCZ-HOTGVXAUSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594519866 349439852 /nfs/dbraw/zinc/43/98/52/349439852.db2.gz MEVZPXZSMGOBCZ-HOTGVXAUSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594521844 349440750 /nfs/dbraw/zinc/44/07/50/349440750.db2.gz UWDSEEZYHUYRPR-CVEARBPZSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594521844 349440753 /nfs/dbraw/zinc/44/07/53/349440753.db2.gz UWDSEEZYHUYRPR-CVEARBPZSA-N 1 1 289.379 2.701 20 5 CFBDMO Cc1ccnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594604393 349459651 /nfs/dbraw/zinc/45/96/51/349459651.db2.gz YWDKTSXETDBCHB-QWHCGFSZSA-N 1 1 290.367 2.727 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594614382 349464335 /nfs/dbraw/zinc/46/43/35/349464335.db2.gz GKPVKXLNIGUZGG-LLBKUYECSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124509049 187140646 /nfs/dbraw/zinc/14/06/46/187140646.db2.gz FBMGVGYJNMMMSJ-BXUZGUMPSA-N 1 1 264.325 2.503 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594955515 349527240 /nfs/dbraw/zinc/52/72/40/349527240.db2.gz AFJVVWUFCDXIQB-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594955515 349527244 /nfs/dbraw/zinc/52/72/44/349527244.db2.gz AFJVVWUFCDXIQB-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO Cc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958037 349529168 /nfs/dbraw/zinc/52/91/68/349529168.db2.gz XZNNUBLXQVBGHM-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958037 349529173 /nfs/dbraw/zinc/52/91/73/349529173.db2.gz XZNNUBLXQVBGHM-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594980763 349537550 /nfs/dbraw/zinc/53/75/50/349537550.db2.gz RQCBUKLWPCFTNF-AWEZNQCLSA-N 1 1 291.395 2.805 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324211 349602010 /nfs/dbraw/zinc/60/20/10/349602010.db2.gz CCMZPSZXWBYZFL-ZJUUUORDSA-N 1 1 267.329 2.902 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328374 349602171 /nfs/dbraw/zinc/60/21/71/349602171.db2.gz ITDDPXQKHICNAL-ZFWWWQNUSA-N 1 1 296.342 2.859 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328372 349602381 /nfs/dbraw/zinc/60/23/81/349602381.db2.gz ITDDPXQKHICNAL-HIFRSBDPSA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595323907 349602534 /nfs/dbraw/zinc/60/25/34/349602534.db2.gz CCMZPSZXWBYZFL-NXEZZACHSA-N 1 1 267.329 2.902 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291968 349592284 /nfs/dbraw/zinc/59/22/84/349592284.db2.gz NPUQWHUZQWOMQY-VIFPVBQESA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1noc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000595337922 349605298 /nfs/dbraw/zinc/60/52/98/349605298.db2.gz DHGCTIQIILCVFG-SECBINFHSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000595337922 349605303 /nfs/dbraw/zinc/60/53/03/349605303.db2.gz DHGCTIQIILCVFG-SECBINFHSA-N 1 1 253.302 2.512 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413358 349618690 /nfs/dbraw/zinc/61/86/90/349618690.db2.gz ZOHIYKZPWYEKTI-WCBMZHEXSA-N 1 1 253.302 2.654 20 5 CFBDMO CCC1(CO)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595407631 349618187 /nfs/dbraw/zinc/61/81/87/349618187.db2.gz FACPWEUAHHLGCP-UHFFFAOYSA-N 1 1 296.342 2.718 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000595422487 349620846 /nfs/dbraw/zinc/62/08/46/349620846.db2.gz HKWFDKBTWRMRGE-FRRDWIJNSA-N 1 1 287.363 2.784 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125498170 187187992 /nfs/dbraw/zinc/18/79/92/187187992.db2.gz UNYSXWWYYRNWQI-GFCCVEGCSA-N 1 1 291.351 2.574 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447348 349628758 /nfs/dbraw/zinc/62/87/58/349628758.db2.gz CINQYVONBZFKPQ-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595452139 349630426 /nfs/dbraw/zinc/63/04/26/349630426.db2.gz YJDMYXISUPGIAT-NSHDSACASA-N 1 1 267.329 2.759 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457166 349632505 /nfs/dbraw/zinc/63/25/05/349632505.db2.gz ATHHAOMPBCKZMX-UHIISALHSA-N 1 1 296.342 2.715 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1COC(C)(C)C1 ZINC000595483281 349639506 /nfs/dbraw/zinc/63/95/06/349639506.db2.gz FLZSMBGKNLQKAC-ZDUSSCGKSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595485534 349639892 /nfs/dbraw/zinc/63/98/92/349639892.db2.gz UXTRKRPCRGEVTC-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595488678 349641007 /nfs/dbraw/zinc/64/10/07/349641007.db2.gz IFZUEZGPDVCVSI-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595494924 349642474 /nfs/dbraw/zinc/64/24/74/349642474.db2.gz DUNPHZYIKMHDOC-NSHDSACASA-N 1 1 265.313 2.513 20 5 CFBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068916295 346876441 /nfs/dbraw/zinc/87/64/41/346876441.db2.gz KTRKJMIAMMAEAI-UHFFFAOYSA-N 1 1 281.331 2.654 20 5 CFBDMO Cc1noc(C[N@H+](C)CCc2ccccc2C)c1[N+](=O)[O-] ZINC000595507457 349645921 /nfs/dbraw/zinc/64/59/21/349645921.db2.gz NPTMLWBSUPAUIP-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1noc(C[N@@H+](C)CCc2ccccc2C)c1[N+](=O)[O-] ZINC000595507457 349645926 /nfs/dbraw/zinc/64/59/26/349645926.db2.gz NPTMLWBSUPAUIP-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000595564492 349661335 /nfs/dbraw/zinc/66/13/35/349661335.db2.gz QMKWOKPLEROZQE-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000595564492 349661337 /nfs/dbraw/zinc/66/13/37/349661337.db2.gz QMKWOKPLEROZQE-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000595529117 349652366 /nfs/dbraw/zinc/65/23/66/349652366.db2.gz HNHWGFWVBQKQQC-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1noc(C[N@H+](C)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000595563684 349661872 /nfs/dbraw/zinc/66/18/72/349661872.db2.gz UENITXUXQOAJRH-UHFFFAOYSA-N 1 1 255.318 2.759 20 5 CFBDMO Cc1noc(C[N@@H+](C)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000595563684 349661875 /nfs/dbraw/zinc/66/18/75/349661875.db2.gz UENITXUXQOAJRH-UHFFFAOYSA-N 1 1 255.318 2.759 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595592956 349667706 /nfs/dbraw/zinc/66/77/06/349667706.db2.gz LVQJTSHTRWNUDI-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742767 349721910 /nfs/dbraw/zinc/72/19/10/349721910.db2.gz JSGBRYIYPNQHCX-IATRGZMQSA-N 1 1 292.379 2.913 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595749894 349722349 /nfs/dbraw/zinc/72/23/49/349722349.db2.gz NUMMURJPIAUARO-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595749894 349722351 /nfs/dbraw/zinc/72/23/51/349722351.db2.gz NUMMURJPIAUARO-MSRIBSCDSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595703510 349710413 /nfs/dbraw/zinc/71/04/13/349710413.db2.gz SXSHECXXOZKTHR-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873277 349759901 /nfs/dbraw/zinc/75/99/01/349759901.db2.gz LFHGYVFEFJCECV-DVOMOZLQSA-N 1 1 292.379 2.915 20 5 CFBDMO 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LWBIFBVAOGSYCK-UHFFFAOYSA-N 1 1 298.346 2.567 20 5 CFBDMO Nc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000592431239 349118347 /nfs/dbraw/zinc/11/83/47/349118347.db2.gz LWBIFBVAOGSYCK-UHFFFAOYSA-N 1 1 298.346 2.567 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000592995936 349182799 /nfs/dbraw/zinc/18/27/99/349182799.db2.gz JKWIIFSPXXFCEP-LLVKDONJSA-N 1 1 292.335 2.756 20 5 CFBDMO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000593020511 349188800 /nfs/dbraw/zinc/18/88/00/349188800.db2.gz NGQDKZPGWOFAEL-NSHDSACASA-N 1 1 286.335 2.588 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593117127 349213458 /nfs/dbraw/zinc/21/34/58/349213458.db2.gz PARXLLXCVFTVHE-CYBMUJFWSA-N 1 1 298.289 2.835 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119538 349215621 /nfs/dbraw/zinc/21/56/21/349215621.db2.gz ZLPZRLOGBRMPCX-ZDUSSCGKSA-N 1 1 298.289 2.835 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090671 349206360 /nfs/dbraw/zinc/20/63/60/349206360.db2.gz CDNWEZWAXAQKQY-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090671 349206362 /nfs/dbraw/zinc/20/63/62/349206362.db2.gz CDNWEZWAXAQKQY-GFCCVEGCSA-N 1 1 276.336 2.738 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593461755 349275731 /nfs/dbraw/zinc/27/57/31/349275731.db2.gz PEHOBFUSPMBSDS-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000593479372 349278861 /nfs/dbraw/zinc/27/88/61/349278861.db2.gz CAHMQOBZMOQSBJ-UHFFFAOYSA-N 1 1 284.335 2.519 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593665429 349307066 /nfs/dbraw/zinc/30/70/66/349307066.db2.gz CIDUEMVIZHUWOV-SWLSCSKDSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593665429 349307069 /nfs/dbraw/zinc/30/70/69/349307069.db2.gz CIDUEMVIZHUWOV-SWLSCSKDSA-N 1 1 278.352 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C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000601223476 350702365 /nfs/dbraw/zinc/70/23/65/350702365.db2.gz CONDEFLDENQLGH-HFBDOXOYSA-N 1 1 287.319 2.543 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000601182275 350690977 /nfs/dbraw/zinc/69/09/77/350690977.db2.gz SBTOAPZOGVRDHI-BZNIZROVSA-N 1 1 299.330 2.758 20 5 CFBDMO C[C@H]1SCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601184403 350691507 /nfs/dbraw/zinc/69/15/07/350691507.db2.gz KVTYAPGPMOWRKL-BXKDBHETSA-N 1 1 289.360 2.871 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccccc1[N+](=O)[O-] ZINC000601191837 350693254 /nfs/dbraw/zinc/69/32/54/350693254.db2.gz OOTVSLMEJKHMGI-GFCCVEGCSA-N 1 1 263.341 2.515 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601201063 350695635 /nfs/dbraw/zinc/69/56/35/350695635.db2.gz KLXWIEBGALBQMC-SNVBAGLBSA-N 1 1 269.370 2.800 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCC1 ZINC000111297192 186391763 /nfs/dbraw/zinc/39/17/63/186391763.db2.gz JJZCIZFMXFCRLO-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481241 350901128 /nfs/dbraw/zinc/90/11/28/350901128.db2.gz CGNOBKHWEIEQKF-AAEUAGOBSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485006 350902052 /nfs/dbraw/zinc/90/20/52/350902052.db2.gz LZUQQIAAPYBTFA-WCQYABFASA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](F)C2)cc1 ZINC000602708871 350991904 /nfs/dbraw/zinc/99/19/04/350991904.db2.gz YWHDASHCHVZDCI-LBPRGKRZSA-N 1 1 252.289 2.571 20 5 CFBDMO CC[C@H]1CCCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776254 351021674 /nfs/dbraw/zinc/02/16/74/351021674.db2.gz BHCKZPAHHYVTGG-ZDUSSCGKSA-N 1 1 280.372 2.754 20 5 CFBDMO CCC[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787822 351025886 /nfs/dbraw/zinc/02/58/86/351025886.db2.gz KIWUWZMQAKWRJH-CYBMUJFWSA-N 1 1 280.372 2.612 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795709 351028201 /nfs/dbraw/zinc/02/82/01/351028201.db2.gz NEPJGUOAFMFHDY-CYBMUJFWSA-N 1 1 280.372 2.729 20 5 CFBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846935 351044231 /nfs/dbraw/zinc/04/42/31/351044231.db2.gz UEUSICZIYJBJST-CHWSQXEVSA-N 1 1 294.399 2.975 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cs1 ZINC000602997856 351088166 /nfs/dbraw/zinc/08/81/66/351088166.db2.gz SCGDVRNSMZTUQT-AVGNSLFASA-N 1 1 296.392 2.782 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000602999581 351089575 /nfs/dbraw/zinc/08/95/75/351089575.db2.gz LGXKLUWPLHIVIO-CQSZACIVSA-N 1 1 292.383 2.694 20 5 CFBDMO C[C@@]1(C2CCCCC2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000603028174 351091843 /nfs/dbraw/zinc/09/18/43/351091843.db2.gz AITAHWQCCXQIPY-HNNXBMFYSA-N 1 1 292.383 2.836 20 5 CFBDMO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000603853707 351186458 /nfs/dbraw/zinc/18/64/58/351186458.db2.gz KBHCITNHSSUCSX-RYUDHWBXSA-N 1 1 278.356 2.665 20 5 CFBDMO CC(C)(C)C[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609317084 351496149 /nfs/dbraw/zinc/49/61/49/351496149.db2.gz KCLSCDYNNNHUTQ-UHFFFAOYSA-N 1 1 284.331 2.574 20 5 CFBDMO CC(C)(C)C[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609317084 351496153 /nfs/dbraw/zinc/49/61/53/351496153.db2.gz KCLSCDYNNNHUTQ-UHFFFAOYSA-N 1 1 284.331 2.574 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609560716 351507234 /nfs/dbraw/zinc/50/72/34/351507234.db2.gz ZZQLMOLYBMJUFV-SNVBAGLBSA-N 1 1 269.370 2.799 20 5 CFBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609147417 351488551 /nfs/dbraw/zinc/48/85/51/351488551.db2.gz BSSGHKQXNDQYAC-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1ccsc1[N+](=O)[O-] ZINC000610279286 351547980 /nfs/dbraw/zinc/54/79/80/351547980.db2.gz UHEZCHFYNXMVAA-UHFFFAOYSA-N 1 1 266.326 2.663 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000610582593 351583922 /nfs/dbraw/zinc/58/39/22/351583922.db2.gz BZJGCSZKOYTSRK-PHIMTYICSA-N 1 1 287.319 2.824 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)C1 ZINC000610368672 351561585 /nfs/dbraw/zinc/56/15/85/351561585.db2.gz AFNHLZQCSLJGLC-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000611269800 351661395 /nfs/dbraw/zinc/66/13/95/351661395.db2.gz ZFQQKHQUWKDRFJ-SOFGYWHQSA-N 1 1 292.379 2.948 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610859915 351615407 /nfs/dbraw/zinc/61/54/07/351615407.db2.gz VEKPCIWYKBPHAT-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000611411727 351684970 /nfs/dbraw/zinc/68/49/70/351684970.db2.gz WMUBORYFYRCBRU-VHSXEESVSA-N 1 1 267.354 2.695 20 5 CFBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501456 351698425 /nfs/dbraw/zinc/69/84/25/351698425.db2.gz CCPGITXMDUEHII-FZMZJTMJSA-N 1 1 266.316 2.817 20 5 CFBDMO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611502469 351700274 /nfs/dbraw/zinc/70/02/74/351700274.db2.gz SRPXEELHISGOKD-VXGBXAGGSA-N 1 1 282.315 2.654 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611502469 351700276 /nfs/dbraw/zinc/70/02/76/351700276.db2.gz SRPXEELHISGOKD-VXGBXAGGSA-N 1 1 282.315 2.654 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ncn1 ZINC000611337275 351669870 /nfs/dbraw/zinc/66/98/70/351669870.db2.gz QBXJDMHVJVEWJU-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000611370587 351675306 /nfs/dbraw/zinc/67/53/06/351675306.db2.gz JFLJREVZFADOFC-SECBINFHSA-N 1 1 278.337 2.763 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122263754 187023419 /nfs/dbraw/zinc/02/34/19/187023419.db2.gz IIVUNZMOFDFLRM-KOLCDFICSA-N 1 1 279.315 2.771 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122264583 187023699 /nfs/dbraw/zinc/02/36/99/187023699.db2.gz ZCRZMHGKWNNGSJ-MNOVXSKESA-N 1 1 261.325 2.632 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOC[C@H]1C ZINC000612578537 351837685 /nfs/dbraw/zinc/83/76/85/351837685.db2.gz RHDOQRNDOCPAIU-GFCCVEGCSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000123416402 187090490 /nfs/dbraw/zinc/09/04/90/187090490.db2.gz ISACEIFOFMFHRL-TXEJJXNPSA-N 1 1 264.325 2.846 20 5 CFBDMO CCOc1cccc(N2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000613048379 351894574 /nfs/dbraw/zinc/89/45/74/351894574.db2.gz ADFGGHISUYQWIL-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000615835176 352247333 /nfs/dbraw/zinc/24/73/33/352247333.db2.gz WZHOOLLSQMLUTC-KPKJPENVSA-N 1 1 298.346 2.780 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c[nH]nc2C1 ZINC000615835176 352247339 /nfs/dbraw/zinc/24/73/39/352247339.db2.gz WZHOOLLSQMLUTC-KPKJPENVSA-N 1 1 298.346 2.780 20 5 CFBDMO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592660 191229584 /nfs/dbraw/zinc/22/95/84/191229584.db2.gz FZTKDVADZJMIJE-NEPJUHHUSA-N 1 1 293.367 2.550 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000271576159 191222612 /nfs/dbraw/zinc/22/26/12/191222612.db2.gz CSLREMNVTRQFPO-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000619531624 353033466 /nfs/dbraw/zinc/03/34/66/353033466.db2.gz RLLTXDJBZIQGPY-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000619531624 353033469 /nfs/dbraw/zinc/03/34/69/353033469.db2.gz RLLTXDJBZIQGPY-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CC(C3CCOCC3)C2)cs1 ZINC000619726551 353060534 /nfs/dbraw/zinc/06/05/34/353060534.db2.gz GHBOGZGICFWPOQ-UHFFFAOYSA-N 1 1 282.365 2.515 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000271670664 191268704 /nfs/dbraw/zinc/26/87/04/191268704.db2.gz AVCTVNYYAYYPIF-UHFFFAOYSA-N 1 1 272.370 2.641 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292404157 198274636 /nfs/dbraw/zinc/27/46/36/198274636.db2.gz LLKLGCIRVGGSFN-VIFPVBQESA-N 1 1 261.281 2.720 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000292404157 198274637 /nfs/dbraw/zinc/27/46/37/198274637.db2.gz LLKLGCIRVGGSFN-VIFPVBQESA-N 1 1 261.281 2.720 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295177192 199389320 /nfs/dbraw/zinc/38/93/20/199389320.db2.gz HADSSLKDJZYHME-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295177192 199389322 /nfs/dbraw/zinc/38/93/22/199389322.db2.gz HADSSLKDJZYHME-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000364300892 283079035 /nfs/dbraw/zinc/07/90/35/283079035.db2.gz HCDQRWFVSWHULY-QMTHXVAHSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000272991481 192011810 /nfs/dbraw/zinc/01/18/10/192011810.db2.gz QEFPZOFKVDUYIX-VIFPVBQESA-N 1 1 296.758 2.706 20 5 CFBDMO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422917114 237344631 /nfs/dbraw/zinc/34/46/31/237344631.db2.gz CMVBFJBYMQCWDA-GXTWGEPZSA-N 1 1 277.368 2.696 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323622 299297498 /nfs/dbraw/zinc/29/74/98/299297498.db2.gz NLCKJXINWHXFKK-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323622 299297500 /nfs/dbraw/zinc/29/75/00/299297500.db2.gz NLCKJXINWHXFKK-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H]1C[N@H+](CCSCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298169053 200351208 /nfs/dbraw/zinc/35/12/08/200351208.db2.gz CRTJJPAPQSVFOB-GFCCVEGCSA-N 1 1 296.392 2.549 20 5 CFBDMO C[C@@H]1C[N@@H+](CCSCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298169053 200351209 /nfs/dbraw/zinc/35/12/09/200351209.db2.gz CRTJJPAPQSVFOB-GFCCVEGCSA-N 1 1 296.392 2.549 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177847557 189073748 /nfs/dbraw/zinc/07/37/48/189073748.db2.gz NTVDYKCKHXIBHI-LLVKDONJSA-N 1 1 293.367 2.562 20 5 CFBDMO CC(C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178856993 189150966 /nfs/dbraw/zinc/15/09/66/189150966.db2.gz UYYNBRWTVZCZKU-OAHLLOKOSA-N 1 1 280.368 2.995 20 5 CFBDMO CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000179397379 189191456 /nfs/dbraw/zinc/19/14/56/189191456.db2.gz RZLRBKIPXDKCKK-AWEZNQCLSA-N 1 1 277.368 2.511 20 5 CFBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000180101668 189237360 /nfs/dbraw/zinc/23/73/60/189237360.db2.gz ZNWYGNPYQZEDSA-UHFFFAOYSA-N 1 1 280.324 2.596 20 5 CFBDMO Cc1c([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423346303 238395662 /nfs/dbraw/zinc/39/56/62/238395662.db2.gz ZSJZEHACFUJNJU-XJKSGUPXSA-N 1 1 291.395 2.944 20 5 CFBDMO COc1cc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301522698 201045163 /nfs/dbraw/zinc/04/51/63/201045163.db2.gz LZBJWPXGDAXPIM-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000183386364 189357585 /nfs/dbraw/zinc/35/75/85/189357585.db2.gz RRMUFXHKQGCZDM-AWEZNQCLSA-N 1 1 280.368 2.742 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2sccc2[N+](=O)[O-])C1 ZINC000301920668 201263626 /nfs/dbraw/zinc/26/36/26/201263626.db2.gz DCRIVIUAHMZMQS-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000302177053 201384262 /nfs/dbraw/zinc/38/42/62/201384262.db2.gz RAMHRODGFJCZNQ-UHFFFAOYSA-N 1 1 280.715 2.636 20 5 CFBDMO C[NH+](C)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000275672343 193100926 /nfs/dbraw/zinc/10/09/26/193100926.db2.gz XMWXEUMWHUHAKB-VMPITWQZSA-N 1 1 289.379 2.682 20 5 CFBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000443957249 241097705 /nfs/dbraw/zinc/09/77/05/241097705.db2.gz LHGJYGOBJXFFQR-UHFFFAOYSA-N 1 1 278.356 2.524 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449574257 242043075 /nfs/dbraw/zinc/04/30/75/242043075.db2.gz UEUVJTYJYCQBSL-RISCZKNCSA-N 1 1 286.335 2.895 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000449550313 242020319 /nfs/dbraw/zinc/02/03/19/242020319.db2.gz CONCDCDAVOYTAQ-IJEWVQPXSA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449549747 242021358 /nfs/dbraw/zinc/02/13/58/242021358.db2.gz AFPKPKGCHQDKAY-VNHYZAJKSA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000449549842 242021674 /nfs/dbraw/zinc/02/16/74/242021674.db2.gz AWHPMKPPOQEPAX-IJEWVQPXSA-N 1 1 290.363 2.578 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756408 242139322 /nfs/dbraw/zinc/13/93/22/242139322.db2.gz BATKRUHIYIVWNF-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449761318 242143683 /nfs/dbraw/zinc/14/36/83/242143683.db2.gz WKTVJOOVIOSAKS-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1ccc(CNCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449779689 242156970 /nfs/dbraw/zinc/15/69/70/242156970.db2.gz DOTOJDBZKCYSDF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1ccc(C[NH2+]CCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449779689 242156977 /nfs/dbraw/zinc/15/69/77/242156977.db2.gz DOTOJDBZKCYSDF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046392 243022525 /nfs/dbraw/zinc/02/25/25/243022525.db2.gz WBLRFSXQUKLCCI-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452124460 243055637 /nfs/dbraw/zinc/05/56/37/243055637.db2.gz JAXMEKYUINVXCW-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330592188 203011651 /nfs/dbraw/zinc/01/16/51/203011651.db2.gz ZVIYKAJGSWXQGL-LDYMZIIASA-N 1 1 297.742 2.851 20 5 CFBDMO C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614985 203039654 /nfs/dbraw/zinc/03/96/54/203039654.db2.gz UATVQIIBKWCKKB-ZIAGYGMSSA-N 1 1 292.379 2.884 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920652 203390281 /nfs/dbraw/zinc/39/02/81/203390281.db2.gz ZUJSQCKYIRPBSA-JSGCOSHPSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCCO ZINC000276355542 193296855 /nfs/dbraw/zinc/29/68/55/193296855.db2.gz JFFCZYWQCXHVBC-GFCCVEGCSA-N 1 1 266.341 2.669 20 5 CFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000459670898 245267140 /nfs/dbraw/zinc/26/71/40/245267140.db2.gz FRVRLJAOAZHOQH-HNNXBMFYSA-N 1 1 278.352 2.986 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cs1 ZINC000459725497 245284470 /nfs/dbraw/zinc/28/44/70/245284470.db2.gz QAACJRAKHAZUFF-NEPJUHHUSA-N 1 1 294.376 2.657 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cs1 ZINC000459725497 245284472 /nfs/dbraw/zinc/28/44/72/245284472.db2.gz QAACJRAKHAZUFF-NEPJUHHUSA-N 1 1 294.376 2.657 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)cs1 ZINC000331974108 204351536 /nfs/dbraw/zinc/35/15/36/204351536.db2.gz VDLAKQYAWAFKJW-UHFFFAOYSA-N 1 1 292.364 2.759 20 5 CFBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014194170 372062250 /nfs/dbraw/zinc/06/22/50/372062250.db2.gz YZIVAZDXXYFFPP-VXGBXAGGSA-N 1 1 291.351 2.796 20 5 CFBDMO COc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020040884 372221369 /nfs/dbraw/zinc/22/13/69/372221369.db2.gz DDSIFAMONBCTEJ-UHFFFAOYSA-N 1 1 272.304 2.893 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000020094657 372230592 /nfs/dbraw/zinc/23/05/92/372230592.db2.gz HZYNJWZVHSWMLZ-UHFFFAOYSA-N 1 1 291.395 2.949 20 5 CFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025509854 372300622 /nfs/dbraw/zinc/30/06/22/372300622.db2.gz GMDIQJGFIHVRNI-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000036996301 372625759 /nfs/dbraw/zinc/62/57/59/372625759.db2.gz RLGYINIOSYPFMM-APHBMKBZSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000036996301 372625764 /nfs/dbraw/zinc/62/57/64/372625764.db2.gz RLGYINIOSYPFMM-APHBMKBZSA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000048336932 373165690 /nfs/dbraw/zinc/16/56/90/373165690.db2.gz ZIWATRNRFCKESX-DZGCQCFKSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(O)c1 ZINC000048068896 373143356 /nfs/dbraw/zinc/14/33/56/373143356.db2.gz GMSXCUVNWSHXBO-UHFFFAOYSA-N 1 1 258.277 2.590 20 5 CFBDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442731 373297147 /nfs/dbraw/zinc/29/71/47/373297147.db2.gz SYSVVDKOHGWHKY-LLVKDONJSA-N 1 1 279.340 2.510 20 5 CFBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000051227623 373388639 /nfs/dbraw/zinc/38/86/39/373388639.db2.gz VGXFGAAFNBSTGV-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000289549849 197399691 /nfs/dbraw/zinc/39/96/91/197399691.db2.gz QZKFMKUVHXXWIM-ZDUSSCGKSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351189 373758760 /nfs/dbraw/zinc/75/87/60/373758760.db2.gz KDDQYNLOPMCNJR-ZOWXZIJZSA-N 1 1 278.352 2.606 20 5 CFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000063591857 373810861 /nfs/dbraw/zinc/81/08/61/373810861.db2.gz AWJYVUFVUKOZNL-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000063591857 373810871 /nfs/dbraw/zinc/81/08/71/373810871.db2.gz AWJYVUFVUKOZNL-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489496471 245960779 /nfs/dbraw/zinc/96/07/79/245960779.db2.gz FDKFTYIHSBDRTR-ZDUSSCGKSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1ccnc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000070495797 374187468 /nfs/dbraw/zinc/18/74/68/374187468.db2.gz RXEJUTQZIZTYDO-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874962 374298070 /nfs/dbraw/zinc/29/80/70/374298070.db2.gz RKIFOORPZXFPHG-JQWIXIFHSA-N 1 1 291.351 2.715 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072977298 374310741 /nfs/dbraw/zinc/31/07/41/374310741.db2.gz CERINEWQGYHQRC-ZDUSSCGKSA-N 1 1 278.352 2.843 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081584762 374708165 /nfs/dbraw/zinc/70/81/65/374708165.db2.gz XLJLGMGOLZWGEQ-CQSZACIVSA-N 1 1 291.395 2.759 20 5 CFBDMO CC[N@H+]1CC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439861 374776245 /nfs/dbraw/zinc/77/62/45/374776245.db2.gz MMTUHJNDLWBASO-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCSCC2)c1 ZINC000089981240 374979999 /nfs/dbraw/zinc/97/99/99/374979999.db2.gz QTFJUFZTSUKVJD-UHFFFAOYSA-N 1 1 252.339 2.534 20 5 CFBDMO CC(C)n1cncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000090208968 375004671 /nfs/dbraw/zinc/00/46/71/375004671.db2.gz ZMCSGAUFMMIWNN-UHFFFAOYSA-N 1 1 274.324 2.662 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092437793 375112584 /nfs/dbraw/zinc/11/25/84/375112584.db2.gz YKUNLSWNJDPSRS-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092437793 375112590 /nfs/dbraw/zinc/11/25/90/375112590.db2.gz YKUNLSWNJDPSRS-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774864 375379506 /nfs/dbraw/zinc/37/95/06/375379506.db2.gz CSQKWVADISAKDD-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268577 375482900 /nfs/dbraw/zinc/48/29/00/375482900.db2.gz DRINAABIZGHVIV-MRXNPFEDSA-N 1 1 289.379 2.513 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000501784511 247106240 /nfs/dbraw/zinc/10/62/40/247106240.db2.gz HFDABCXPKIVMOF-CHWSQXEVSA-N 1 1 278.352 2.952 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501791718 247107727 /nfs/dbraw/zinc/10/77/27/247107727.db2.gz BPKJAHWXCMDABL-CHWSQXEVSA-N 1 1 278.352 2.952 20 5 CFBDMO CCCC[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104306086 375778317 /nfs/dbraw/zinc/77/83/17/375778317.db2.gz DETJHIDNGGTUSD-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104306086 375778320 /nfs/dbraw/zinc/77/83/20/375778320.db2.gz DETJHIDNGGTUSD-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829851 375810921 /nfs/dbraw/zinc/81/09/21/375810921.db2.gz FLWWBQAAIPFXNP-VXGBXAGGSA-N 1 1 279.315 2.773 20 5 CFBDMO CCCCC[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000112411882 375918969 /nfs/dbraw/zinc/91/89/69/375918969.db2.gz OUAPMFZVYHJAFK-UHFFFAOYSA-N 1 1 272.370 2.641 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000112411882 375918975 /nfs/dbraw/zinc/91/89/75/375918975.db2.gz OUAPMFZVYHJAFK-UHFFFAOYSA-N 1 1 272.370 2.641 20 5 CFBDMO CC1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112702006 375949227 /nfs/dbraw/zinc/94/92/27/375949227.db2.gz NOMVZCDNXHKKQX-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112702006 375949233 /nfs/dbraw/zinc/94/92/33/375949233.db2.gz NOMVZCDNXHKKQX-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415059 376295946 /nfs/dbraw/zinc/29/59/46/376295946.db2.gz JXKZVLRJUIPPHT-NWDGAFQWSA-N 1 1 280.393 2.963 20 5 CFBDMO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624975 377452985 /nfs/dbraw/zinc/45/29/85/377452985.db2.gz KXPXDURCCWXKFL-MBNYWOFBSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624975 377452998 /nfs/dbraw/zinc/45/29/98/377452998.db2.gz KXPXDURCCWXKFL-MBNYWOFBSA-N 1 1 289.379 2.871 20 5 CFBDMO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130907781 377628629 /nfs/dbraw/zinc/62/86/29/377628629.db2.gz TYXIZDUMBRTMAK-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO CCOc1cccc(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000134917272 378064387 /nfs/dbraw/zinc/06/43/87/378064387.db2.gz ITVGSEHNGIWPAN-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000136294947 378194942 /nfs/dbraw/zinc/19/49/42/378194942.db2.gz RRUHQWBDJABKRP-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)C ZINC000150886967 378278506 /nfs/dbraw/zinc/27/85/06/378278506.db2.gz AXNYYMNKIKAOEF-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000138903664 378233701 /nfs/dbraw/zinc/23/37/01/378233701.db2.gz JHJAGCSWOBAQJU-ZJUUUORDSA-N 1 1 260.297 2.730 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330502036 378571862 /nfs/dbraw/zinc/57/18/62/378571862.db2.gz BEQXYSYANHVSLV-LBPRGKRZSA-N 1 1 264.325 2.978 20 5 CFBDMO CC[C@]1(C)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330537346 378580882 /nfs/dbraw/zinc/58/08/82/378580882.db2.gz WGLHSZOSXMFCCU-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@]1(C)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330537346 378580884 /nfs/dbraw/zinc/58/08/84/378580884.db2.gz WGLHSZOSXMFCCU-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000331122036 378636283 /nfs/dbraw/zinc/63/62/83/378636283.db2.gz PCTPYDFQRPFZLO-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000331122036 378636286 /nfs/dbraw/zinc/63/62/86/378636286.db2.gz PCTPYDFQRPFZLO-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)C1 ZINC000330580890 378588556 /nfs/dbraw/zinc/58/85/56/378588556.db2.gz UEABIPSASAZYOH-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1CCCC1)CC2 ZINC000332112529 378727104 /nfs/dbraw/zinc/72/71/04/378727104.db2.gz FMHWAPLAORXZQD-UHFFFAOYSA-N 1 1 275.352 2.928 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000332638456 378782477 /nfs/dbraw/zinc/78/24/77/378782477.db2.gz AJUIKUFWIHLHBM-LLVKDONJSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000451904114 383735798 /nfs/dbraw/zinc/73/57/98/383735798.db2.gz QONSQFZWKPIRLQ-INIZCTEOSA-N 1 1 290.363 2.640 20 5 CFBDMO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173389050 379735149 /nfs/dbraw/zinc/73/51/49/379735149.db2.gz CVWXYHAQBDSHGQ-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000173554389 379753219 /nfs/dbraw/zinc/75/32/19/379753219.db2.gz ISXJXRPPNOVRLD-UHFFFAOYSA-N 1 1 282.340 2.713 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCCC1 ZINC000173186956 379708017 /nfs/dbraw/zinc/70/80/17/379708017.db2.gz ANQBGTDBBPBRGY-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@H](c1cccs1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822079 379946223 /nfs/dbraw/zinc/94/62/23/379946223.db2.gz IMCIFCSUNOUHBR-SNVBAGLBSA-N 1 1 280.353 2.546 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000177331173 380330885 /nfs/dbraw/zinc/33/08/85/380330885.db2.gz ZTHBJQXKATYSAE-ZBFHGGJFSA-N 1 1 289.379 2.653 20 5 CFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000177331173 380330888 /nfs/dbraw/zinc/33/08/88/380330888.db2.gz ZTHBJQXKATYSAE-ZBFHGGJFSA-N 1 1 289.379 2.653 20 5 CFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000177331173 380330895 /nfs/dbraw/zinc/33/08/95/380330895.db2.gz ZTHBJQXKATYSAE-ZBFHGGJFSA-N 1 1 289.379 2.653 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000177986568 380399942 /nfs/dbraw/zinc/39/99/42/380399942.db2.gz JQKJOKMGTXOKLY-IAQYHMDHSA-N 1 1 294.326 2.735 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336785658 380630522 /nfs/dbraw/zinc/63/05/22/380630522.db2.gz AGAQYMPEKHNPGQ-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388047 380785405 /nfs/dbraw/zinc/78/54/05/380785405.db2.gz JTZYVMLCZGPWPZ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388047 380785407 /nfs/dbraw/zinc/78/54/07/380785407.db2.gz JTZYVMLCZGPWPZ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000353812511 380870582 /nfs/dbraw/zinc/87/05/82/380870582.db2.gz GXEZZPGCWCYBJD-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO Cc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000341262902 380878135 /nfs/dbraw/zinc/87/81/35/380878135.db2.gz RLOZYFUFYQFFPK-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279257528 194355655 /nfs/dbraw/zinc/35/56/55/194355655.db2.gz HSJTVDXBCVYSTE-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000368441658 381025613 /nfs/dbraw/zinc/02/56/13/381025613.db2.gz LXLQBJYFQZGYAT-LLVKDONJSA-N 1 1 296.754 2.717 20 5 CFBDMO CSC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000289609865 381065563 /nfs/dbraw/zinc/06/55/63/381065563.db2.gz VRCQBKPVMVIUTO-UHFFFAOYSA-N 1 1 280.393 2.965 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(O)C1 ZINC000347356072 381094149 /nfs/dbraw/zinc/09/41/49/381094149.db2.gz KQEYYDYCBQALNJ-WQMJKPAKSA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182780742 381155561 /nfs/dbraw/zinc/15/55/61/381155561.db2.gz NEIAARPMGZRMAO-DPORPMIOSA-N 1 1 290.363 2.952 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412048570 381126487 /nfs/dbraw/zinc/12/64/87/381126487.db2.gz UZZHCMRNYKTLLY-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412048570 381126495 /nfs/dbraw/zinc/12/64/95/381126495.db2.gz UZZHCMRNYKTLLY-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000295968164 381188147 /nfs/dbraw/zinc/18/81/47/381188147.db2.gz IHZWJZGPLOEYGY-ZDUSSCGKSA-N 1 1 289.379 2.511 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000359084496 381255796 /nfs/dbraw/zinc/25/57/96/381255796.db2.gz RBUKELKIBGVHPR-GWCFXTLKSA-N 1 1 290.367 2.501 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000183385772 381264295 /nfs/dbraw/zinc/26/42/95/381264295.db2.gz MLPZUFNDYPQUMC-HNNXBMFYSA-N 1 1 276.336 2.516 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347681174 381294724 /nfs/dbraw/zinc/29/47/24/381294724.db2.gz BCKYXJBFGIARQA-BETUJISGSA-N 1 1 277.368 2.509 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000290098356 381298216 /nfs/dbraw/zinc/29/82/16/381298216.db2.gz HMWGYDACALBEQM-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO CO[C@H](C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354458199 381282907 /nfs/dbraw/zinc/28/29/07/381282907.db2.gz PCIDPNYXFMYVLU-CYBMUJFWSA-N 1 1 296.367 2.719 20 5 CFBDMO CC(C)C[C@@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290375442 381404241 /nfs/dbraw/zinc/40/42/41/381404241.db2.gz HSPXXKHLVPRAHM-VFADXPBXSA-N 1 1 292.379 2.947 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342600637 381425900 /nfs/dbraw/zinc/42/59/00/381425900.db2.gz UYLJXWSLENHPHW-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO C[N@H+](CC[C@H]1CCCO1)Cc1csc([N+](=O)[O-])c1 ZINC000342611336 381433564 /nfs/dbraw/zinc/43/35/64/381433564.db2.gz XUQIMMKZGADNOS-LLVKDONJSA-N 1 1 270.354 2.657 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1csc([N+](=O)[O-])c1 ZINC000342611336 381433572 /nfs/dbraw/zinc/43/35/72/381433572.db2.gz XUQIMMKZGADNOS-LLVKDONJSA-N 1 1 270.354 2.657 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663383 381483843 /nfs/dbraw/zinc/48/38/43/381483843.db2.gz UNCOYSRZYDWVBX-ZWNOBZJWSA-N 1 1 286.335 2.526 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370500475 381457675 /nfs/dbraw/zinc/45/76/75/381457675.db2.gz QWXUYVHOEUYIGZ-SNVBAGLBSA-N 1 1 290.298 2.841 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663382 381484520 /nfs/dbraw/zinc/48/45/20/381484520.db2.gz UNCOYSRZYDWVBX-MFKMUULPSA-N 1 1 286.335 2.526 20 5 CFBDMO C[C@H](C[NH+](C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348310699 381497551 /nfs/dbraw/zinc/49/75/51/381497551.db2.gz STVDBQWMEKDACU-ABAIWWIYSA-N 1 1 277.368 2.512 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290811624 381560053 /nfs/dbraw/zinc/56/00/53/381560053.db2.gz REHYAPKFXFLKQA-NXEZZACHSA-N 1 1 279.315 2.771 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000371429286 381625994 /nfs/dbraw/zinc/62/59/94/381625994.db2.gz BWLPNTRAXXSVIQ-AWEZNQCLSA-N 1 1 286.335 2.698 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348707680 381675335 /nfs/dbraw/zinc/67/53/35/381675335.db2.gz JQGDCBYCPVTJHS-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO COc1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488934 381747004 /nfs/dbraw/zinc/74/70/04/381747004.db2.gz ZIMOUTHSKUKERV-GXSJLCMTSA-N 1 1 297.330 2.637 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000415066345 381751723 /nfs/dbraw/zinc/75/17/23/381751723.db2.gz OKMPIUYZCITXSG-AWEZNQCLSA-N 1 1 277.368 2.510 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000372271374 381783465 /nfs/dbraw/zinc/78/34/65/381783465.db2.gz BGHDEKIACDRBHC-LLVKDONJSA-N 1 1 292.364 2.690 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)c1 ZINC000372283806 381784372 /nfs/dbraw/zinc/78/43/72/381784372.db2.gz UZKSEPYPCJYPKZ-STQMWFEESA-N 1 1 276.340 2.537 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)c1 ZINC000372283805 381784414 /nfs/dbraw/zinc/78/44/14/381784414.db2.gz UZKSEPYPCJYPKZ-QWHCGFSZSA-N 1 1 276.340 2.537 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208799 381794599 /nfs/dbraw/zinc/79/45/99/381794599.db2.gz TVCQBWKKKIQGTP-BBRMVZONSA-N 1 1 289.379 2.683 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291692263 381769942 /nfs/dbraw/zinc/76/99/42/381769942.db2.gz HNOWDZLDWDXJPC-STQMWFEESA-N 1 1 286.335 2.799 20 5 CFBDMO Cc1[nH+]ccn1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349143237 381833905 /nfs/dbraw/zinc/83/39/05/381833905.db2.gz LKFKDYVBIOLFGO-UHFFFAOYSA-N 1 1 297.318 2.663 20 5 CFBDMO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343699998 381895185 /nfs/dbraw/zinc/89/51/85/381895185.db2.gz XAIBESWJSPUXES-HNNXBMFYSA-N 1 1 292.379 2.966 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349367182 381910422 /nfs/dbraw/zinc/91/04/22/381910422.db2.gz LBLPUIGQJANBME-KXWHGCDGSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373279302 381968091 /nfs/dbraw/zinc/96/80/91/381968091.db2.gz SJBUFZXARQHQLO-IAQYHMDHSA-N 1 1 276.336 2.503 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849152 381981422 /nfs/dbraw/zinc/98/14/22/381981422.db2.gz HEJUCHXYBJBJLL-UWVGGRQHSA-N 1 1 297.330 2.637 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293106694 381992864 /nfs/dbraw/zinc/99/28/64/381992864.db2.gz LLXZVYSDVAWBEH-FZMZJTMJSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000374874110 382060189 /nfs/dbraw/zinc/06/01/89/382060189.db2.gz JSFBFKGPNOIPSR-AAEUAGOBSA-N 1 1 278.352 2.933 20 5 CFBDMO CN(C)C1(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000186963607 382060424 /nfs/dbraw/zinc/06/04/24/382060424.db2.gz UXSBBHLCJNTSSZ-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO CN(C)C1(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000186963607 382060430 /nfs/dbraw/zinc/06/04/30/382060430.db2.gz UXSBBHLCJNTSSZ-UHFFFAOYSA-N 1 1 291.395 2.553 20 5 CFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000299664682 382020846 /nfs/dbraw/zinc/02/08/46/382020846.db2.gz QXLYKIKUMGDJMP-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000299664682 382020850 /nfs/dbraw/zinc/02/08/50/382020850.db2.gz QXLYKIKUMGDJMP-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000357266014 382084132 /nfs/dbraw/zinc/08/41/32/382084132.db2.gz TYURLKWVRBYACA-SNVBAGLBSA-N 1 1 299.346 2.885 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccccc1[N+](=O)[O-])C2 ZINC000301134557 382089407 /nfs/dbraw/zinc/08/94/07/382089407.db2.gz XUHXLOAIPCUQMD-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO Cc1nnsc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293368711 382097326 /nfs/dbraw/zinc/09/73/26/382097326.db2.gz HTBLSBCVRVSRGF-QMMMGPOBSA-N 1 1 278.337 2.606 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000357495243 382194684 /nfs/dbraw/zinc/19/46/84/382194684.db2.gz ZLQPYGZRRHFAEW-LLVKDONJSA-N 1 1 272.308 2.527 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000363113562 382225706 /nfs/dbraw/zinc/22/57/06/382225706.db2.gz GSKOASNQKTXIHX-ZDUSSCGKSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000363113562 382225710 /nfs/dbraw/zinc/22/57/10/382225710.db2.gz GSKOASNQKTXIHX-ZDUSSCGKSA-N 1 1 286.335 2.665 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC1CCC1)CC2 ZINC000419240215 382257093 /nfs/dbraw/zinc/25/70/93/382257093.db2.gz QYGAFOPJUQHHHF-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC1CCC1)CC2 ZINC000419240215 382257099 /nfs/dbraw/zinc/25/70/99/382257099.db2.gz QYGAFOPJUQHHHF-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000344301407 382259591 /nfs/dbraw/zinc/25/95/91/382259591.db2.gz KFQOIYVWYQALEB-QMTHXVAHSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000344301407 382259597 /nfs/dbraw/zinc/25/95/97/382259597.db2.gz KFQOIYVWYQALEB-QMTHXVAHSA-N 1 1 297.786 2.821 20 5 CFBDMO Cc1c(C[N@H+]2CCCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000377393352 382262831 /nfs/dbraw/zinc/26/28/31/382262831.db2.gz RZGWRNWZWMSANK-UHFFFAOYSA-N 1 1 278.352 2.904 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000352312828 382271498 /nfs/dbraw/zinc/27/14/98/382271498.db2.gz APRLRTQDVCKFIW-UHFFFAOYSA-N 1 1 251.330 2.739 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000357781218 382319112 /nfs/dbraw/zinc/31/91/12/382319112.db2.gz KOZYAPMZYGNORX-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000357793288 382325074 /nfs/dbraw/zinc/32/50/74/382325074.db2.gz BUKIDAKKQYZNRO-NSHDSACASA-N 1 1 297.403 2.652 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377707082 382326945 /nfs/dbraw/zinc/32/69/45/382326945.db2.gz QQIAMNZSIDALSA-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377715844 382328947 /nfs/dbraw/zinc/32/89/47/382328947.db2.gz AMWLHVSABPBVKT-CHWSQXEVSA-N 1 1 276.336 2.848 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352526872 382381688 /nfs/dbraw/zinc/38/16/88/382381688.db2.gz STCJOGQMACZMIK-JTQLQIEISA-N 1 1 252.314 2.834 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000305228887 382435816 /nfs/dbraw/zinc/43/58/16/382435816.db2.gz XBIKAPYLJYVLTF-AWEZNQCLSA-N 1 1 292.379 2.923 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CC([C@@H]3CCOC3)C2)ccc1Cl ZINC000365558286 382413698 /nfs/dbraw/zinc/41/36/98/382413698.db2.gz COKGXIRNQJZAHU-LLVKDONJSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294101488 382415234 /nfs/dbraw/zinc/41/52/34/382415234.db2.gz MTNOLDGICNYUBK-MFKMUULPSA-N 1 1 272.308 2.587 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785643 382496787 /nfs/dbraw/zinc/49/67/87/382496787.db2.gz AEBUGERSXYYPMP-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000313677314 382522518 /nfs/dbraw/zinc/52/25/18/382522518.db2.gz OHZMLLJVYJDZRP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000313677314 382522527 /nfs/dbraw/zinc/52/25/27/382522527.db2.gz OHZMLLJVYJDZRP-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000311130480 382500350 /nfs/dbraw/zinc/50/03/50/382500350.db2.gz ZUVKNLNMLUMGOJ-LLVKDONJSA-N 1 1 251.330 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420935639 382500871 /nfs/dbraw/zinc/50/08/71/382500871.db2.gz HXDYJZLWTAGEON-XBFCOCLRSA-N 1 1 292.379 2.915 20 5 CFBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000420995393 382502319 /nfs/dbraw/zinc/50/23/19/382502319.db2.gz HXXDMXFVFKOSEQ-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506246 /nfs/dbraw/zinc/50/62/46/382506246.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 1 1 289.379 2.511 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000311674573 382507762 /nfs/dbraw/zinc/50/77/62/382507762.db2.gz MEDXEJXLWZEDKX-UHFFFAOYSA-N 1 1 269.320 2.876 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000421401548 382519123 /nfs/dbraw/zinc/51/91/23/382519123.db2.gz CPDHGGUMAHHRKI-PXTSUWAFSA-N 1 1 289.379 2.634 20 5 CFBDMO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000353392729 382541145 /nfs/dbraw/zinc/54/11/45/382541145.db2.gz HKBWEBZKQYDBGH-FWPCIQOSSA-N 1 1 278.352 2.699 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1nccn1C ZINC000358313340 382562947 /nfs/dbraw/zinc/56/29/47/382562947.db2.gz UTIZOOCWCKRPEV-CYBMUJFWSA-N 1 1 288.351 2.878 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCCn1c[nH+]c2c1CCCC2 ZINC000295324130 382616966 /nfs/dbraw/zinc/61/69/66/382616966.db2.gz OLYUWTJLXYDFCS-UHFFFAOYSA-N 1 1 287.319 2.749 20 5 CFBDMO COc1cnccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000189554599 382624014 /nfs/dbraw/zinc/62/40/14/382624014.db2.gz DNYURJSBEUDPGH-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])s1 ZINC000189680778 382634668 /nfs/dbraw/zinc/63/46/68/382634668.db2.gz DWMVSRHDXBEPLF-JTQLQIEISA-N 1 1 284.385 2.728 20 5 CFBDMO CC[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748450 382711802 /nfs/dbraw/zinc/71/18/02/382711802.db2.gz LYICMXQMOPFWBE-HNNXBMFYSA-N 1 1 277.368 2.514 20 5 CFBDMO CC[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748450 382711803 /nfs/dbraw/zinc/71/18/03/382711803.db2.gz LYICMXQMOPFWBE-HNNXBMFYSA-N 1 1 277.368 2.514 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193376488 382719365 /nfs/dbraw/zinc/71/93/65/382719365.db2.gz HNTKDPLJCJZQSS-LBPRGKRZSA-N 1 1 292.383 2.853 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000226428922 382828971 /nfs/dbraw/zinc/82/89/71/382828971.db2.gz IMKYHKQOPXRUTO-UHFFFAOYSA-N 1 1 291.355 2.613 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227857620 382841756 /nfs/dbraw/zinc/84/17/56/382841756.db2.gz DTBBATHAHXMWEV-JTQLQIEISA-N 1 1 297.330 2.639 20 5 CFBDMO CCC1(O)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000441352458 382908583 /nfs/dbraw/zinc/90/85/83/382908583.db2.gz UKTIBJZOGXXBJM-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000230348798 382859574 /nfs/dbraw/zinc/85/95/74/382859574.db2.gz LCHCJZRXPPMOLW-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000577585850 382863885 /nfs/dbraw/zinc/86/38/85/382863885.db2.gz CAXGSBNMOQEFIK-HNNXBMFYSA-N 1 1 290.363 2.517 20 5 CFBDMO C[NH+](C)C(C)(C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648195 382866897 /nfs/dbraw/zinc/86/68/97/382866897.db2.gz CFVBVKXJHZKYJS-CYBMUJFWSA-N 1 1 277.368 2.512 20 5 CFBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441374901 382911260 /nfs/dbraw/zinc/91/12/60/382911260.db2.gz ICYREKWYPVAFBG-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441374901 382911264 /nfs/dbraw/zinc/91/12/64/382911264.db2.gz ICYREKWYPVAFBG-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000245685661 383022418 /nfs/dbraw/zinc/02/24/18/383022418.db2.gz AGBXNFNDTCRBDJ-QWRGUYRKSA-N 1 1 294.351 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccccn1)C1CC1 ZINC000339062234 383136291 /nfs/dbraw/zinc/13/62/91/383136291.db2.gz XJBJPHMDYYTLLT-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1NCc1c[nH+]c2n1CCCC2 ZINC000553254118 383104343 /nfs/dbraw/zinc/10/43/43/383104343.db2.gz QHMCOTGIHUGQKK-UHFFFAOYSA-N 1 1 290.298 2.879 20 5 CFBDMO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]cnc2[nH]ccc21 ZINC000339138446 383162534 /nfs/dbraw/zinc/16/25/34/383162534.db2.gz YTPRIWVZZAAELY-UHFFFAOYSA-N 1 1 283.291 2.503 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339590350 383255567 /nfs/dbraw/zinc/25/55/67/383255567.db2.gz PNLVBTIFLCHDOC-CHWSQXEVSA-N 1 1 282.315 2.974 20 5 CFBDMO CC(C)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000339820880 383330699 /nfs/dbraw/zinc/33/06/99/383330699.db2.gz NWWTZGYRLCBHNF-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000339820880 383330702 /nfs/dbraw/zinc/33/07/02/383330702.db2.gz NWWTZGYRLCBHNF-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000249166292 383332813 /nfs/dbraw/zinc/33/28/13/383332813.db2.gz KEAXTPLSDLYFGI-NHYWBVRUSA-N 1 1 278.352 2.760 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251036958 383384484 /nfs/dbraw/zinc/38/44/84/383384484.db2.gz IMZMRMJAPNNUHV-OLZOCXBDSA-N 1 1 275.352 2.942 20 5 CFBDMO C[NH2+]CCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000261609785 383527998 /nfs/dbraw/zinc/52/79/98/383527998.db2.gz DQHNBNZOVSEKIK-UHFFFAOYSA-N 1 1 295.358 2.555 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000341155096 383586079 /nfs/dbraw/zinc/58/60/79/383586079.db2.gz ZQTOABKJQMDVBH-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000450952428 383565637 /nfs/dbraw/zinc/56/56/37/383565637.db2.gz SZNFEUQMIBIZLG-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccon3)C2)cc1 ZINC000451549205 383642260 /nfs/dbraw/zinc/64/22/60/383642260.db2.gz PEFSSJNQAYWQMM-CYBMUJFWSA-N 1 1 287.319 2.962 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)cc1 ZINC000451549205 383642264 /nfs/dbraw/zinc/64/22/64/383642264.db2.gz PEFSSJNQAYWQMM-CYBMUJFWSA-N 1 1 287.319 2.962 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000572662537 383804246 /nfs/dbraw/zinc/80/42/46/383804246.db2.gz OSSMQEPUFCFPMW-NSHDSACASA-N 1 1 281.356 2.744 20 5 CFBDMO COc1cc(C[N@H+]2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000436262914 383795214 /nfs/dbraw/zinc/79/52/14/383795214.db2.gz GLLNLGAOQIXLCV-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000532587795 384048080 /nfs/dbraw/zinc/04/80/80/384048080.db2.gz WTCALKTUOPNDEX-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000532587795 384048086 /nfs/dbraw/zinc/04/80/86/384048086.db2.gz WTCALKTUOPNDEX-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266028038 384059552 /nfs/dbraw/zinc/05/95/52/384059552.db2.gz QWAWDXJOYXSTGQ-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264964935 285076492 /nfs/dbraw/zinc/07/64/92/285076492.db2.gz XXPAGFDXNDMDFP-UHFFFAOYSA-N 1 1 290.298 2.841 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266508624 384188387 /nfs/dbraw/zinc/18/83/87/384188387.db2.gz CYNLMCCOFJSHSA-UONOGXRCSA-N 1 1 291.395 2.929 20 5 CFBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266542930 384195344 /nfs/dbraw/zinc/19/53/44/384195344.db2.gz QOJMBJPWZPJDLM-NWDGAFQWSA-N 1 1 264.325 2.767 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267001151 384277129 /nfs/dbraw/zinc/27/71/29/384277129.db2.gz CUUUNRQKOLBEOS-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000266960966 384269625 /nfs/dbraw/zinc/26/96/25/384269625.db2.gz XOIPPGWRWSJJGQ-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cs1 ZINC000277475110 384313033 /nfs/dbraw/zinc/31/30/33/384313033.db2.gz KVPPEIWWCRVCAD-ZDUSSCGKSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cs1 ZINC000277475110 384313035 /nfs/dbraw/zinc/31/30/35/384313035.db2.gz KVPPEIWWCRVCAD-ZDUSSCGKSA-N 1 1 295.408 2.763 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000267036379 384283871 /nfs/dbraw/zinc/28/38/71/384283871.db2.gz NSQRXGIYMLOOPD-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000267036379 384283875 /nfs/dbraw/zinc/28/38/75/384283875.db2.gz NSQRXGIYMLOOPD-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCOC1 ZINC000267464652 384397965 /nfs/dbraw/zinc/39/79/65/384397965.db2.gz WCIMWSRMVCDUHV-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369467101 285111881 /nfs/dbraw/zinc/11/18/81/285111881.db2.gz LETOEIXJLXAWCW-GJZGRUSLSA-N 1 1 276.336 2.738 20 5 CFBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278257194 384510723 /nfs/dbraw/zinc/51/07/23/384510723.db2.gz PZSTZADBNBPICP-UHFFFAOYSA-N 1 1 267.285 2.735 20 5 CFBDMO Cc1n[nH]c(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289377861 197318792 /nfs/dbraw/zinc/31/87/92/197318792.db2.gz MEGRGJIVLVRBBO-UHFFFAOYSA-N 1 1 288.351 2.609 20 5 CFBDMO Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000268224988 384571874 /nfs/dbraw/zinc/57/18/74/384571874.db2.gz KPZJQYARDCMDRK-CYBMUJFWSA-N 1 1 292.383 2.688 20 5 CFBDMO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000279663409 384713710 /nfs/dbraw/zinc/71/37/10/384713710.db2.gz CVBYKROPIDXESN-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000279663409 384713717 /nfs/dbraw/zinc/71/37/17/384713717.db2.gz CVBYKROPIDXESN-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739321 384741825 /nfs/dbraw/zinc/74/18/25/384741825.db2.gz KKPUWBVDDFEMGF-AAEUAGOBSA-N 1 1 296.342 2.859 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660854 384824810 /nfs/dbraw/zinc/82/48/10/384824810.db2.gz QJDZLZBOOYANKG-RISCZKNCSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269674921 384829835 /nfs/dbraw/zinc/82/98/35/384829835.db2.gz VZGFXAWJLHNWRD-IUODEOHRSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683311 384833701 /nfs/dbraw/zinc/83/37/01/384833701.db2.gz YYPDKYJRFPBQTE-WFASDCNBSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000280355189 384987853 /nfs/dbraw/zinc/98/78/53/384987853.db2.gz JIWDODHIENYSGS-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CC2)c1 ZINC000153331240 285153277 /nfs/dbraw/zinc/15/32/77/285153277.db2.gz FFNAGLUQEYCDOZ-HNNXBMFYSA-N 1 1 276.336 2.738 20 5 CFBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280648103 385099086 /nfs/dbraw/zinc/09/90/86/385099086.db2.gz FDZWZNZLLCLOIP-NSHDSACASA-N 1 1 291.351 2.551 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000280666285 385107090 /nfs/dbraw/zinc/10/70/90/385107090.db2.gz TXNRMJXOUWJWLF-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342018934 285155583 /nfs/dbraw/zinc/15/55/83/285155583.db2.gz MJFMZXFEZLPQQO-GFCCVEGCSA-N 1 1 296.342 2.861 20 5 CFBDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282464240 385317573 /nfs/dbraw/zinc/31/75/73/385317573.db2.gz UEVHFBOYTKEDHV-AAEUAGOBSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1noc(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282460077 385317724 /nfs/dbraw/zinc/31/77/24/385317724.db2.gz MRQNUBLEBBKQGN-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO CCC1(CO)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000270939748 385276506 /nfs/dbraw/zinc/27/65/06/385276506.db2.gz VMOLWBISRNXTJS-UHFFFAOYSA-N 1 1 284.381 2.641 20 5 CFBDMO Cc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282529983 385334878 /nfs/dbraw/zinc/33/48/78/385334878.db2.gz UYOQIIOGIJOKFC-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282529983 385334882 /nfs/dbraw/zinc/33/48/82/385334882.db2.gz UYOQIIOGIJOKFC-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282635917 385358882 /nfs/dbraw/zinc/35/88/82/385358882.db2.gz BGFUAACSUDVTBP-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000271646058 385388118 /nfs/dbraw/zinc/38/81/18/385388118.db2.gz QWSKMRMIAHIMMZ-WFASDCNBSA-N 1 1 275.352 2.515 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283023640 385424303 /nfs/dbraw/zinc/42/43/03/385424303.db2.gz HBYZGEICLPMZRP-LBPRGKRZSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCSC1 ZINC000282819802 385394718 /nfs/dbraw/zinc/39/47/18/385394718.db2.gz AQRACFIUHHFFAZ-CYBMUJFWSA-N 1 1 280.393 2.822 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncs1 ZINC000283171775 385442231 /nfs/dbraw/zinc/44/22/31/385442231.db2.gz ZBQYZCPIAZKGKT-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000288819476 197172817 /nfs/dbraw/zinc/17/28/17/197172817.db2.gz MZVCJQOVNGPRHH-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[C@H]1O ZINC000286266114 385579935 /nfs/dbraw/zinc/57/99/35/385579935.db2.gz BFGJOHQRTLOJSW-CHWSQXEVSA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286741860 385699901 /nfs/dbraw/zinc/69/99/01/385699901.db2.gz CFQXYVOQBGUEHK-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO CCOc1ccc([C@H](C)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286850990 385723999 /nfs/dbraw/zinc/72/39/99/385723999.db2.gz AKRWMQWXYCKSMC-RYUDHWBXSA-N 1 1 295.383 2.594 20 5 CFBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000274903664 385893088 /nfs/dbraw/zinc/89/30/88/385893088.db2.gz TYQZJKMBLPZTBM-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276987742 386101462 /nfs/dbraw/zinc/10/14/62/386101462.db2.gz ZLFBIMRSIQMUHT-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271193 195174885 /nfs/dbraw/zinc/17/48/85/195174885.db2.gz NUJWWAQPQVSJQS-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000281703031 195344280 /nfs/dbraw/zinc/34/42/80/195344280.db2.gz NWFFOZBDBYDLOA-FZMZJTMJSA-N 1 1 294.351 2.603 20 5 CFBDMO C[N@@H+](CCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281813927 195393408 /nfs/dbraw/zinc/39/34/08/195393408.db2.gz QLVZDJDZKNRZLE-UHFFFAOYSA-N 1 1 290.319 2.669 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449781224 533382499 /nfs/dbraw/zinc/38/24/99/533382499.db2.gz WNGDSXYCBRDPOP-BILDBKGDSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878381 130104200 /nfs/dbraw/zinc/10/42/00/130104200.db2.gz RSCSXPASFBMBSI-HUBLWGQQSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878381 130104202 /nfs/dbraw/zinc/10/42/02/130104202.db2.gz RSCSXPASFBMBSI-HUBLWGQQSA-N 1 1 289.379 2.728 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2CCO)cs1 ZINC000342055293 130224581 /nfs/dbraw/zinc/22/45/81/130224581.db2.gz APOZZWDUWUPMPZ-LBPRGKRZSA-N 1 1 284.381 2.783 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000248368481 131114293 /nfs/dbraw/zinc/11/42/93/131114293.db2.gz VFVHAUWHWBMWCL-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370158 131120793 /nfs/dbraw/zinc/12/07/93/131120793.db2.gz ADUDLOGLTKLQOT-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370158 131120794 /nfs/dbraw/zinc/12/07/94/131120794.db2.gz ADUDLOGLTKLQOT-ZIAGYGMSSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000253603351 131145050 /nfs/dbraw/zinc/14/50/50/131145050.db2.gz KCQWPDVEDZUFTP-BETUJISGSA-N 1 1 293.367 2.506 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCO ZINC000263717289 131315334 /nfs/dbraw/zinc/31/53/34/131315334.db2.gz FBMURLZCWNHYPA-LBPRGKRZSA-N 1 1 266.341 2.750 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C ZINC000263736440 131318311 /nfs/dbraw/zinc/31/83/11/131318311.db2.gz DHHNIZNVLPRFGI-NSHDSACASA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC000313794268 393524486 /nfs/dbraw/zinc/52/44/86/393524486.db2.gz DOMPNVRAWSRJEZ-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295224 393555424 /nfs/dbraw/zinc/55/54/24/393555424.db2.gz SGRCUQQRGYXSGU-XUJVJEKNSA-N 1 1 278.352 2.576 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000191178203 393590286 /nfs/dbraw/zinc/59/02/86/393590286.db2.gz CEAHWSNMTAOQKG-MLGOLLRUSA-N 1 1 292.379 2.921 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000193717651 393661660 /nfs/dbraw/zinc/66/16/60/393661660.db2.gz RFVJUOJBKOOQGS-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195512761 393742659 /nfs/dbraw/zinc/74/26/59/393742659.db2.gz YTKVSGSFCXBRGF-JTQLQIEISA-N 1 1 298.412 2.974 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280025 393693297 /nfs/dbraw/zinc/69/32/97/393693297.db2.gz DDMLESRLVMNDCY-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO CCCCOCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607284 393763696 /nfs/dbraw/zinc/76/36/96/393763696.db2.gz PZGGCQNAIIRGRK-UHFFFAOYSA-N 1 1 278.352 2.770 20 5 CFBDMO CCCCOCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607284 393763697 /nfs/dbraw/zinc/76/36/97/393763697.db2.gz PZGGCQNAIIRGRK-UHFFFAOYSA-N 1 1 278.352 2.770 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@H](C)C1 ZINC000470172700 393899009 /nfs/dbraw/zinc/89/90/09/393899009.db2.gz AJTIZBGOCLLENA-MAUPQMMJSA-N 1 1 290.363 2.966 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@@H]1C ZINC000120069850 393929241 /nfs/dbraw/zinc/92/92/41/393929241.db2.gz IKNBCXPAAXSUJY-QWHCGFSZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770651 393953697 /nfs/dbraw/zinc/95/36/97/393953697.db2.gz KSXKGUBJEIILMA-RYUDHWBXSA-N 1 1 296.342 2.717 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000430200598 393967370 /nfs/dbraw/zinc/96/73/70/393967370.db2.gz ARXDVWZXPZSIJM-GFCCVEGCSA-N 1 1 282.365 2.541 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926899 394008528 /nfs/dbraw/zinc/00/85/28/394008528.db2.gz MHZPXVABRSKQLC-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cs1 ZINC000355106810 394058021 /nfs/dbraw/zinc/05/80/21/394058021.db2.gz IOEHTXKMESESHT-VXGBXAGGSA-N 1 1 282.365 2.657 20 5 CFBDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936209 394072319 /nfs/dbraw/zinc/07/23/19/394072319.db2.gz WIZWCFDERPNIIP-QWRGUYRKSA-N 1 1 280.372 2.727 20 5 CFBDMO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281923179 394094644 /nfs/dbraw/zinc/09/46/44/394094644.db2.gz ZGBMCMLYRDSDMV-UHFFFAOYSA-N 1 1 277.280 2.655 20 5 CFBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281923179 394094650 /nfs/dbraw/zinc/09/46/50/394094650.db2.gz ZGBMCMLYRDSDMV-UHFFFAOYSA-N 1 1 277.280 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCCF)C1CC1 ZINC000135220825 394212438 /nfs/dbraw/zinc/21/24/38/394212438.db2.gz KEUAJTNDERPQIK-UHFFFAOYSA-N 1 1 252.289 2.919 20 5 CFBDMO C[C@@H]1CCOCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367700442 394260490 /nfs/dbraw/zinc/26/04/90/394260490.db2.gz BZVZUCQBHDTWSK-DIECRNLCSA-N 1 1 276.336 2.719 20 5 CFBDMO Cc1c(C[N@H+](C(C)C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000291790655 394260560 /nfs/dbraw/zinc/26/05/60/394260560.db2.gz MSBPJUZNDXONQP-CQSZACIVSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153748548 394291359 /nfs/dbraw/zinc/29/13/59/394291359.db2.gz KGDLEKNBHFACCB-LLVKDONJSA-N 1 1 298.774 2.930 20 5 CFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450546806 394295153 /nfs/dbraw/zinc/29/51/53/394295153.db2.gz LBIFXCLSMKAVMF-LBPRGKRZSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581269 394335833 /nfs/dbraw/zinc/33/58/33/394335833.db2.gz NSWIAUXZTRSCDL-SGMGOOAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581269 394335835 /nfs/dbraw/zinc/33/58/35/394335835.db2.gz NSWIAUXZTRSCDL-SGMGOOAPSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCOCC1 ZINC000156049875 394328179 /nfs/dbraw/zinc/32/81/79/394328179.db2.gz OWYQKVAJBSAVAR-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1c([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176160 394355330 /nfs/dbraw/zinc/35/53/30/394355330.db2.gz GCAJITAUAGNHOW-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176160 394355333 /nfs/dbraw/zinc/35/53/33/394355333.db2.gz GCAJITAUAGNHOW-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000158176160 394355338 /nfs/dbraw/zinc/35/53/38/394355338.db2.gz GCAJITAUAGNHOW-UONOGXRCSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000545397697 394793604 /nfs/dbraw/zinc/79/36/04/394793604.db2.gz TZMZWTCGXRCWIS-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000545397697 394793607 /nfs/dbraw/zinc/79/36/07/394793607.db2.gz TZMZWTCGXRCWIS-ZDUSSCGKSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@@H+](C)C(C)C)n1 ZINC000545686999 394799673 /nfs/dbraw/zinc/79/96/73/394799673.db2.gz UIIAFGFRAVYCLB-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@H+](C)C(C)C)n1 ZINC000545686999 394799678 /nfs/dbraw/zinc/79/96/78/394799678.db2.gz UIIAFGFRAVYCLB-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO CC(C)C[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903125 155132619 /nfs/dbraw/zinc/13/26/19/155132619.db2.gz CHXOFKAQCSIPHQ-STQMWFEESA-N 1 1 292.383 2.911 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+]1C ZINC000421010769 397571914 /nfs/dbraw/zinc/57/19/14/397571914.db2.gz RDXAQRQSAKHMJO-OLZOCXBDSA-N 1 1 277.368 2.682 20 5 CFBDMO Cc1ccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269898979 292131763 /nfs/dbraw/zinc/13/17/63/292131763.db2.gz FGWNXSUCRLDVLV-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([C@@H](C)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168536684 292195842 /nfs/dbraw/zinc/19/58/42/292195842.db2.gz NVVBGZKZJLJBEZ-NWDGAFQWSA-N 1 1 265.357 2.504 20 5 CFBDMO C[C@H](C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000355540942 155036673 /nfs/dbraw/zinc/03/66/73/155036673.db2.gz HOJICCIWVMVBIO-GFCCVEGCSA-N 1 1 288.351 2.564 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000363910886 156204324 /nfs/dbraw/zinc/20/43/24/156204324.db2.gz SDAUMTVIWOBORI-UHFFFAOYSA-N 1 1 290.363 2.640 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000374302999 157095994 /nfs/dbraw/zinc/09/59/94/157095994.db2.gz RJPWJIJLZUQCHX-ZDUSSCGKSA-N 1 1 276.336 2.706 20 5 CFBDMO CN(c1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376175837 157329749 /nfs/dbraw/zinc/32/97/49/157329749.db2.gz ZSRHYVJPWQRYPL-FUNVUKJBSA-N 1 1 293.342 2.795 20 5 CFBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCCC3)cc1 ZINC000376473017 157360149 /nfs/dbraw/zinc/36/01/49/157360149.db2.gz JFGSUSCUHVLDLI-UHFFFAOYSA-N 1 1 272.308 2.740 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC(C)(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000408323553 157391734 /nfs/dbraw/zinc/39/17/34/157391734.db2.gz ZMINSPLYFBVEJP-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@H+]2CCOC(C)(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000408323553 157391736 /nfs/dbraw/zinc/39/17/36/157391736.db2.gz ZMINSPLYFBVEJP-GFCCVEGCSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000344610617 162081111 /nfs/dbraw/zinc/08/11/11/162081111.db2.gz AXBHVKDFBWOWQC-BBUPELFUSA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000344610617 162081116 /nfs/dbraw/zinc/08/11/16/162081116.db2.gz AXBHVKDFBWOWQC-BBUPELFUSA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610617 162081118 /nfs/dbraw/zinc/08/11/18/162081118.db2.gz AXBHVKDFBWOWQC-BBUPELFUSA-N 1 1 289.379 2.680 20 5 CFBDMO CCC[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000346344232 162389385 /nfs/dbraw/zinc/38/93/85/162389385.db2.gz JJTFVIQVKNPGBI-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000351852767 163202975 /nfs/dbraw/zinc/20/29/75/163202975.db2.gz LGNXDGZABYGINT-UHFFFAOYSA-N 1 1 256.252 2.715 20 5 CFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000351852767 163202977 /nfs/dbraw/zinc/20/29/77/163202977.db2.gz LGNXDGZABYGINT-UHFFFAOYSA-N 1 1 256.252 2.715 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000352695331 163224851 /nfs/dbraw/zinc/22/48/51/163224851.db2.gz YOUDWIPBXIJEGL-UHFFFAOYSA-N 1 1 284.331 2.982 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000353131845 163313548 /nfs/dbraw/zinc/31/35/48/163313548.db2.gz ZJFJWMAZBSBKIG-OAHLLOKOSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353131845 163313549 /nfs/dbraw/zinc/31/35/49/163313549.db2.gz ZJFJWMAZBSBKIG-OAHLLOKOSA-N 1 1 277.368 2.559 20 5 CFBDMO CCc1nocc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000353455160 163369706 /nfs/dbraw/zinc/36/97/06/163369706.db2.gz PIYXVJXSZYTTGJ-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO Cc1c(C[NH2+]Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000035648774 172325129 /nfs/dbraw/zinc/32/51/29/172325129.db2.gz AIVIRYCMVGVCFV-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000285529325 196316412 /nfs/dbraw/zinc/31/64/12/196316412.db2.gz ZTEWUWXNUYZSLU-BETUJISGSA-N 1 1 294.351 2.603 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420752 173197614 /nfs/dbraw/zinc/19/76/14/173197614.db2.gz GYUKHKHTRYYTFF-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO Cc1ccc(CNC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000038028990 174018004 /nfs/dbraw/zinc/01/80/04/174018004.db2.gz AYOUDRVWILBSSZ-CQSZACIVSA-N 1 1 291.395 2.867 20 5 CFBDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000040770983 174399843 /nfs/dbraw/zinc/39/98/43/174399843.db2.gz WOAOHRKYNLPFFL-AWEZNQCLSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000071954227 176304554 /nfs/dbraw/zinc/30/45/54/176304554.db2.gz TXWTUPZHLIBSJH-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000222683421 270255365 /nfs/dbraw/zinc/25/53/65/270255365.db2.gz GIFVZAXMEHMKFA-KBPBESRZSA-N 1 1 261.325 2.634 20 5 CFBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193849588 270240354 /nfs/dbraw/zinc/24/03/54/270240354.db2.gz IXBAGOQDSZWDSG-UHFFFAOYSA-N 1 1 264.325 2.846 20 5 CFBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000194098283 270242537 /nfs/dbraw/zinc/24/25/37/270242537.db2.gz YPCDNYKFVAJZBQ-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000514807505 270354794 /nfs/dbraw/zinc/35/47/94/270354794.db2.gz WAZAJBLXBBTENL-SNVBAGLBSA-N 1 1 264.325 2.834 20 5 CFBDMO C[C@@H](C[NH+](C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287151678 274212832 /nfs/dbraw/zinc/21/28/32/274212832.db2.gz STVDBQWMEKDACU-XHDPSFHLSA-N 1 1 277.368 2.512 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276916900 274278057 /nfs/dbraw/zinc/27/80/57/274278057.db2.gz KBJMPDWMNFSGEV-NSHDSACASA-N 1 1 299.330 2.815 20 5 CFBDMO C[C@@H](c1cccnc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332540915 274279137 /nfs/dbraw/zinc/27/91/37/274279137.db2.gz XOOKEFLYAZRLGN-NSHDSACASA-N 1 1 284.319 2.504 20 5 CFBDMO C[C@@H](c1cccnc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332540915 274279139 /nfs/dbraw/zinc/27/91/39/274279139.db2.gz XOOKEFLYAZRLGN-NSHDSACASA-N 1 1 284.319 2.504 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1CO ZINC000492174521 274290878 /nfs/dbraw/zinc/29/08/78/274290878.db2.gz BQRWVEBAFILFIR-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1CO ZINC000492174521 274290882 /nfs/dbraw/zinc/29/08/82/274290882.db2.gz BQRWVEBAFILFIR-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769394 274317367 /nfs/dbraw/zinc/31/73/67/274317367.db2.gz CPJPFXDNALULOE-CJNGLKHVSA-N 1 1 292.379 2.620 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)C2CC2)cc1 ZINC000130525518 275035472 /nfs/dbraw/zinc/03/54/72/275035472.db2.gz BJIUMSZBKRDHOM-OAHLLOKOSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CC3)CC2)c(Cl)c1 ZINC000057857778 275035967 /nfs/dbraw/zinc/03/59/67/275035967.db2.gz NGXLSOGMRYBXHD-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO CCC[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706889 276040110 /nfs/dbraw/zinc/04/01/10/276040110.db2.gz PJMXTXAPGAIKAC-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000267232127 276073643 /nfs/dbraw/zinc/07/36/43/276073643.db2.gz LCYACNDEGMDPJP-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165545 276250857 /nfs/dbraw/zinc/25/08/57/276250857.db2.gz ATNVXTGSIUWLLD-MNOVXSKESA-N 1 1 281.331 2.653 20 5 CFBDMO C[NH+]1CCC2(CCCN2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374321983 277038463 /nfs/dbraw/zinc/03/84/63/277038463.db2.gz BKJIHRCZIAPNQJ-UHFFFAOYSA-N 1 1 289.379 2.655 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133732395 277070040 /nfs/dbraw/zinc/07/00/40/277070040.db2.gz YUQLQHOSTIJYMU-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347021768 277092438 /nfs/dbraw/zinc/09/24/38/277092438.db2.gz NNTBZCMELQNKJO-JTNHKYCSSA-N 1 1 292.335 2.539 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000364302344 277178299 /nfs/dbraw/zinc/17/82/99/277178299.db2.gz IKBVQKKDACGSPH-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO COCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266930075 277205736 /nfs/dbraw/zinc/20/57/36/277205736.db2.gz SGSLEBRUTZCKEH-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO C[NH2+]C[C@@H](C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423275177 277274966 /nfs/dbraw/zinc/27/49/66/277274966.db2.gz MTRXLBSXCMWVIR-ABAIWWIYSA-N 1 1 291.395 2.762 20 5 CFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245402592 277347989 /nfs/dbraw/zinc/34/79/89/277347989.db2.gz IPTQXDULVHCZJU-WCQYABFASA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635348 278274723 /nfs/dbraw/zinc/27/47/23/278274723.db2.gz LXDZQASNPCSFGC-MAZHCROVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635348 278274725 /nfs/dbraw/zinc/27/47/25/278274725.db2.gz LXDZQASNPCSFGC-MAZHCROVSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000351503734 278288797 /nfs/dbraw/zinc/28/87/97/278288797.db2.gz SMFKBOVRGMHBIC-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728637 278348164 /nfs/dbraw/zinc/34/81/64/278348164.db2.gz MPMVNMHVBNOOTL-OLZOCXBDSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105600 278387890 /nfs/dbraw/zinc/38/78/90/278387890.db2.gz UNGBEMAHXUZUDS-PWSUYJOCSA-N 1 1 286.335 2.526 20 5 CFBDMO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037126560 279075163 /nfs/dbraw/zinc/07/51/63/279075163.db2.gz ZPISZMYENUEDDU-NWDGAFQWSA-N 1 1 293.367 2.502 20 5 CFBDMO C[C@H](CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000417317413 279349182 /nfs/dbraw/zinc/34/91/82/279349182.db2.gz WPWRMPUDDBTMQK-MLGOLLRUSA-N 1 1 291.395 2.902 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733205 281208261 /nfs/dbraw/zinc/20/82/61/281208261.db2.gz JRFSGHNFUFQXES-QWRGUYRKSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733205 281208263 /nfs/dbraw/zinc/20/82/63/281208263.db2.gz JRFSGHNFUFQXES-QWRGUYRKSA-N 1 1 298.770 2.699 20 5 CFBDMO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989378 281322276 /nfs/dbraw/zinc/32/22/76/281322276.db2.gz RVFJIKXWDAMVNV-AOOOYVTPSA-N 1 1 280.324 2.595 20 5 CFBDMO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989378 281322278 /nfs/dbraw/zinc/32/22/78/281322278.db2.gz RVFJIKXWDAMVNV-AOOOYVTPSA-N 1 1 280.324 2.595 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000547770571 281754407 /nfs/dbraw/zinc/75/44/07/281754407.db2.gz QZMDWPOIZMICGL-UWVGGRQHSA-N 1 1 250.298 2.586 20 5 CFBDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732576 290171806 /nfs/dbraw/zinc/17/18/06/290171806.db2.gz MNTYJYFEXRQMJQ-IUODEOHRSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732576 290171808 /nfs/dbraw/zinc/17/18/08/290171808.db2.gz MNTYJYFEXRQMJQ-IUODEOHRSA-N 1 1 291.395 2.900 20 5 CFBDMO COC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000452047213 293201611 /nfs/dbraw/zinc/20/16/11/293201611.db2.gz ZQWVHYDPYHGQAO-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000452047213 293201613 /nfs/dbraw/zinc/20/16/13/293201613.db2.gz ZQWVHYDPYHGQAO-LLVKDONJSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1nnsc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000572726404 322629756 /nfs/dbraw/zinc/62/97/56/322629756.db2.gz VFTTXTWNRJFOAP-UHFFFAOYSA-N 1 1 292.364 2.780 20 5 CFBDMO CCn1ccnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376647 324946440 /nfs/dbraw/zinc/94/64/40/324946440.db2.gz YZAONLINGANWLQ-CYBMUJFWSA-N 1 1 286.335 2.588 20 5 CFBDMO Cc1c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000580511695 325041593 /nfs/dbraw/zinc/04/15/93/325041593.db2.gz XMWAEHUVDRVKHB-LSDHHAIUSA-N 1 1 289.379 2.572 20 5 CFBDMO C[NH+](C)[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735762 325230543 /nfs/dbraw/zinc/23/05/43/325230543.db2.gz NNVICQPJCWUOPI-GOEBONIOSA-N 1 1 289.379 2.512 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOC1CCC1)C2 ZINC000582743519 325231087 /nfs/dbraw/zinc/23/10/87/325231087.db2.gz KNBVTHKPPCYKBE-UHFFFAOYSA-N 1 1 276.336 2.522 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOC1CCC1)C2 ZINC000582743519 325231090 /nfs/dbraw/zinc/23/10/90/325231090.db2.gz KNBVTHKPPCYKBE-UHFFFAOYSA-N 1 1 276.336 2.522 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000357772203 521613875 /nfs/dbraw/zinc/61/38/75/521613875.db2.gz AAZVUYONCUSIFK-VIFPVBQESA-N 1 1 272.374 2.584 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075461 533834590 /nfs/dbraw/zinc/83/45/90/533834590.db2.gz RXPJCAWYAYMJBP-QWRGUYRKSA-N 1 1 296.346 2.661 20 5 CFBDMO Cc1c([C@@H](C)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423211350 533943176 /nfs/dbraw/zinc/94/31/76/533943176.db2.gz KZCFVOHJEPHWGB-CHWSQXEVSA-N 1 1 277.368 2.553 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331080 519629585 /nfs/dbraw/zinc/62/95/85/519629585.db2.gz HQDMPXMULBOLAO-QWHCGFSZSA-N 1 1 279.384 2.974 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331080 519629589 /nfs/dbraw/zinc/62/95/89/519629589.db2.gz HQDMPXMULBOLAO-QWHCGFSZSA-N 1 1 279.384 2.974 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361239646 520292717 /nfs/dbraw/zinc/29/27/17/520292717.db2.gz WSDQYZKQGFCVFH-BRLPQQTGSA-N 1 1 276.336 2.719 20 5 CFBDMO CC1CCC(O)(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000174724907 520954462 /nfs/dbraw/zinc/95/44/62/520954462.db2.gz JPUVZGDAOMYCOY-UHFFFAOYSA-N 1 1 292.379 2.968 20 5 CFBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000223249798 521610041 /nfs/dbraw/zinc/61/00/41/521610041.db2.gz YIZBAJNQKRCQEN-UHFFFAOYSA-N 1 1 286.763 2.787 20 5 CFBDMO CC[N@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443490 521710959 /nfs/dbraw/zinc/71/09/59/521710959.db2.gz YIYOFUWJNGEFBP-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439900 521720379 /nfs/dbraw/zinc/72/03/79/521720379.db2.gz TXXQCUNHTCPDPG-ZFWWWQNUSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720589 /nfs/dbraw/zinc/72/05/89/521720589.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[C@H](N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576409 522689579 /nfs/dbraw/zinc/68/95/79/522689579.db2.gz FXOVZXBZHRHKNK-FZMZJTMJSA-N 1 1 265.357 2.586 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])cc1F)CC1CC[NH+](C)CC1 ZINC000313977236 523272312 /nfs/dbraw/zinc/27/23/12/523272312.db2.gz VDNSIVWTIJFUKS-UHFFFAOYSA-N 1 1 295.358 2.508 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1CCCC1 ZINC000191297564 523391552 /nfs/dbraw/zinc/39/15/52/523391552.db2.gz XXYRZXJGRAVZHC-OAHLLOKOSA-N 1 1 292.379 2.968 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076073140 523444569 /nfs/dbraw/zinc/44/45/69/523444569.db2.gz XEVSQHAXJLWSCT-CQSZACIVSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443958 523814782 /nfs/dbraw/zinc/81/47/82/523814782.db2.gz DOCXEKCACCHTME-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083157 523852459 /nfs/dbraw/zinc/85/24/59/523852459.db2.gz JPDBVAIODSKWIH-STQMWFEESA-N 1 1 293.342 2.797 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C ZINC000339251452 524272355 /nfs/dbraw/zinc/27/23/55/524272355.db2.gz AGABYXLCLWSEIK-NSHDSACASA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000076941237 524660605 /nfs/dbraw/zinc/66/06/05/524660605.db2.gz WJBRBIZLPMKCCZ-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000076941237 524660612 /nfs/dbraw/zinc/66/06/12/524660612.db2.gz WJBRBIZLPMKCCZ-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000158237955 524927454 /nfs/dbraw/zinc/92/74/54/524927454.db2.gz KBDCWSIVRVCAAZ-CMPLNLGQSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156164504 525273769 /nfs/dbraw/zinc/27/37/69/525273769.db2.gz DXMRZNYNFLWFHH-ZJUUUORDSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000313624983 525450873 /nfs/dbraw/zinc/45/08/73/525450873.db2.gz GGQPHZIEEFSJGH-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO Cc1ccnc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000360263319 525693807 /nfs/dbraw/zinc/69/38/07/525693807.db2.gz BAQQHNFLWLSTMI-OLZOCXBDSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000049177252 525708742 /nfs/dbraw/zinc/70/87/42/525708742.db2.gz ZPIYVTSSTZREFH-NSHDSACASA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000049177252 525708748 /nfs/dbraw/zinc/70/87/48/525708748.db2.gz ZPIYVTSSTZREFH-NSHDSACASA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000049177253 525709183 /nfs/dbraw/zinc/70/91/83/525709183.db2.gz ZPIYVTSSTZREFH-LLVKDONJSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000049177253 525709189 /nfs/dbraw/zinc/70/91/89/525709189.db2.gz ZPIYVTSSTZREFH-LLVKDONJSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccncc1)CC2 ZINC000360455528 527378672 /nfs/dbraw/zinc/37/86/72/527378672.db2.gz OHWDXQCYCYPVPT-UHFFFAOYSA-N 1 1 297.358 2.981 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000246297277 527393818 /nfs/dbraw/zinc/39/38/18/527393818.db2.gz PKWAUEJNXGRJNX-JKSUJKDBSA-N 1 1 290.363 2.893 20 5 CFBDMO COC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452097013 536523634 /nfs/dbraw/zinc/52/36/34/536523634.db2.gz YRLIAZPGWUWIIS-HNNXBMFYSA-N 1 1 292.379 2.886 20 5 CFBDMO CC(C)c1ccc(CN[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414890117 528099900 /nfs/dbraw/zinc/09/99/00/528099900.db2.gz TYGKLLAIWMWJIX-LLVKDONJSA-N 1 1 265.357 2.545 20 5 CFBDMO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423291125 528949766 /nfs/dbraw/zinc/94/97/66/528949766.db2.gz GWZZQXVHKOSKFL-LBPRGKRZSA-N 1 1 279.384 2.633 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642137 535493605 /nfs/dbraw/zinc/49/36/05/535493605.db2.gz QYIYKZGQKVVLLH-SNVBAGLBSA-N 1 1 276.340 2.949 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738320084 574164061 /nfs/dbraw/zinc/16/40/61/574164061.db2.gz NUHRNVPFVGCNFS-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738320084 574164065 /nfs/dbraw/zinc/16/40/65/574164065.db2.gz NUHRNVPFVGCNFS-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000749902263 574314903 /nfs/dbraw/zinc/31/49/03/574314903.db2.gz NALLYCKPUNNGHI-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000749902263 574314905 /nfs/dbraw/zinc/31/49/05/574314905.db2.gz NALLYCKPUNNGHI-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1nn(C[N@H+](C)CC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749954272 574317860 /nfs/dbraw/zinc/31/78/60/574317860.db2.gz JBYDFLOXUMQBDL-UHFFFAOYSA-N 1 1 291.355 2.583 20 5 CFBDMO CC[N@@H+](CCNc1cc(OC)cc(F)c1[N+](=O)[O-])C1CC1 ZINC000751224820 574372457 /nfs/dbraw/zinc/37/24/57/574372457.db2.gz LGSKMQIYGIFANK-UHFFFAOYSA-N 1 1 297.330 2.639 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068630 617935421 /nfs/dbraw/zinc/93/54/21/617935421.db2.gz REMRCBVYBFDXRQ-ZYHUDNBSSA-N 1 1 294.351 2.929 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892221835 618010411 /nfs/dbraw/zinc/01/04/11/618010411.db2.gz HDBZOIBICIGWNO-JTQLQIEISA-N 1 1 280.324 2.541 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000177874048 618146646 /nfs/dbraw/zinc/14/66/46/618146646.db2.gz WMZKNBSRYNTKOP-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235221 618176166 /nfs/dbraw/zinc/17/61/66/618176166.db2.gz JYKQSUUPYDPFJV-YNEHKIRRSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235221 618176168 /nfs/dbraw/zinc/17/61/68/618176168.db2.gz JYKQSUUPYDPFJV-YNEHKIRRSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000178965747 618274521 /nfs/dbraw/zinc/27/45/21/618274521.db2.gz HKBWBOGOIKYDSM-LLVKDONJSA-N 1 1 270.329 2.671 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351052 618376262 /nfs/dbraw/zinc/37/62/62/618376262.db2.gz RROUQRDLOSBSDY-RISCZKNCSA-N 1 1 264.325 2.503 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177399851 618416702 /nfs/dbraw/zinc/41/67/02/618416702.db2.gz BJSOIBMIYBNWME-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177399851 618416708 /nfs/dbraw/zinc/41/67/08/618416708.db2.gz BJSOIBMIYBNWME-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000312004910 618853548 /nfs/dbraw/zinc/85/35/48/618853548.db2.gz SGPVDWJIFJTPNJ-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO CSCC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592323 618932821 /nfs/dbraw/zinc/93/28/21/618932821.db2.gz KXOYGHNWZRIJBY-SMDDNHRTSA-N 1 1 298.408 2.702 20 5 CFBDMO Cc1cc(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])s1 ZINC000894803451 619469830 /nfs/dbraw/zinc/46/98/30/619469830.db2.gz YWSBIBSPIZDNBE-OKILXGFUSA-N 1 1 295.408 2.743 20 5 CFBDMO Cc1ncoc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894868240 619491153 /nfs/dbraw/zinc/49/11/53/619491153.db2.gz WUOLBKGBFKRSSR-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000894880677 619495188 /nfs/dbraw/zinc/49/51/88/619495188.db2.gz FTXUBVHIWKZVSR-PHIMTYICSA-N 1 1 281.743 2.531 20 5 CFBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000894880677 619495190 /nfs/dbraw/zinc/49/51/90/619495190.db2.gz FTXUBVHIWKZVSR-PHIMTYICSA-N 1 1 281.743 2.531 20 5 CFBDMO C[C@@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895738088 619597983 /nfs/dbraw/zinc/59/79/83/619597983.db2.gz SWVADRWOLMYHLN-QMTHXVAHSA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1ccc(NCCNc2cc(C)c([N+](=O)[O-])cn2)[nH+]c1 ZINC000896456320 619741878 /nfs/dbraw/zinc/74/18/78/619741878.db2.gz SMVPVVKOOMGXMH-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO C[N@H+]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913918 619884166 /nfs/dbraw/zinc/88/41/66/619884166.db2.gz YNHOQJJNUYVUSH-YGRLFVJLSA-N 1 1 295.770 2.636 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3ccoc3)C2)c1 ZINC000898162421 620341144 /nfs/dbraw/zinc/34/11/44/620341144.db2.gz RZVDWJPMVVHKNN-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000923887069 620425485 /nfs/dbraw/zinc/42/54/85/620425485.db2.gz CUNLTZWSOPFBKQ-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000923887069 620425487 /nfs/dbraw/zinc/42/54/87/620425487.db2.gz CUNLTZWSOPFBKQ-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000901519235 620854716 /nfs/dbraw/zinc/85/47/16/620854716.db2.gz BXFCULYKXFRFHH-GFCCVEGCSA-N 1 1 295.314 2.545 20 5 CFBDMO C[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431615 621077899 /nfs/dbraw/zinc/07/78/99/621077899.db2.gz SZXXWKIYJKSQHP-BYCMXARLSA-N 1 1 289.379 2.558 20 5 CFBDMO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431615 621077902 /nfs/dbraw/zinc/07/79/02/621077902.db2.gz SZXXWKIYJKSQHP-BYCMXARLSA-N 1 1 289.379 2.558 20 5 CFBDMO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)c1ccccc1[N+](=O)[O-] ZINC000902432731 621078497 /nfs/dbraw/zinc/07/84/97/621078497.db2.gz XAMDMSRMMSPFIP-YDHLFZDLSA-N 1 1 291.395 2.819 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc([N+](=O)[O-])cc1 ZINC000902443148 621081555 /nfs/dbraw/zinc/08/15/55/621081555.db2.gz KETUDXKNGMLGHA-SSKCKEOISA-N 1 1 297.358 2.870 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000902445956 621083883 /nfs/dbraw/zinc/08/38/83/621083883.db2.gz RCHWTONJGAHUOE-SSKCKEOISA-N 1 1 297.358 2.870 20 5 CFBDMO CCN(CC)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056818 621236030 /nfs/dbraw/zinc/23/60/30/621236030.db2.gz YPNYULLDAKTLAT-LBPRGKRZSA-N 1 1 295.383 2.596 20 5 CFBDMO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987552 621499582 /nfs/dbraw/zinc/49/95/82/621499582.db2.gz GUICYSDYIZOIET-RAIGVLPGSA-N 1 1 263.341 2.515 20 5 CFBDMO CC(C)Oc1ccc2ccccc2c1C[NH2+]CC[N+](=O)[O-] ZINC000905214897 621724386 /nfs/dbraw/zinc/72/43/86/621724386.db2.gz KUVFWOPTUIQNFE-UHFFFAOYSA-N 1 1 288.347 2.993 20 5 CFBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000905404016 621759506 /nfs/dbraw/zinc/75/95/06/621759506.db2.gz KKIXNHCRMOIFNB-UHFFFAOYSA-N 1 1 282.649 2.725 20 5 CFBDMO CCC[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000075581557 625558279 /nfs/dbraw/zinc/55/82/79/625558279.db2.gz XXWUAIXNMUNASU-UHFFFAOYSA-N 1 1 274.324 2.661 20 5 CFBDMO CCC[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000075581557 625558288 /nfs/dbraw/zinc/55/82/88/625558288.db2.gz XXWUAIXNMUNASU-UHFFFAOYSA-N 1 1 274.324 2.661 20 5 CFBDMO CO[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000821342144 622899856 /nfs/dbraw/zinc/89/98/56/622899856.db2.gz KZRIWRRVDCTDEQ-OLZOCXBDSA-N 1 1 264.325 2.594 20 5 CFBDMO CC(C)(C)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000172013474 623252120 /nfs/dbraw/zinc/25/21/20/623252120.db2.gz JSJSTJKPQFHAAH-UHFFFAOYSA-N 1 1 266.345 2.507 20 5 CFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635572 623536639 /nfs/dbraw/zinc/53/66/39/623536639.db2.gz IGBQLNBTBVFSOH-YPMHNXCESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000828282012 624221805 /nfs/dbraw/zinc/22/18/05/624221805.db2.gz ZKHGWPUQMFXLEL-JTQLQIEISA-N 1 1 287.323 2.624 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000916473322 624248561 /nfs/dbraw/zinc/24/85/61/624248561.db2.gz CFVDYBQSRWNEBS-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+](C1CC1)C1CCCCC1 ZINC000917429298 624342794 /nfs/dbraw/zinc/34/27/94/624342794.db2.gz NCCXFSLHWZKOIZ-UHFFFAOYSA-N 1 1 264.329 2.546 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+](C1CC1)C1CCCCC1 ZINC000917429298 624342802 /nfs/dbraw/zinc/34/28/02/624342802.db2.gz NCCXFSLHWZKOIZ-UHFFFAOYSA-N 1 1 264.329 2.546 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829572226 624457076 /nfs/dbraw/zinc/45/70/76/624457076.db2.gz HLTOUXWCRWTIGU-AWEZNQCLSA-N 1 1 263.341 2.514 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000832309235 625271759 /nfs/dbraw/zinc/27/17/59/625271759.db2.gz GMAFFZGRKXOBNK-JTQLQIEISA-N 1 1 292.314 2.801 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1OCC2 ZINC000921546669 625984001 /nfs/dbraw/zinc/98/40/01/625984001.db2.gz GEUBMOACVYAJGT-UHFFFAOYSA-N 1 1 284.315 2.820 20 5 CFBDMO COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000922538307 626304617 /nfs/dbraw/zinc/30/46/17/626304617.db2.gz PEYOTPKFJOSNIC-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000922537787 626304669 /nfs/dbraw/zinc/30/46/69/626304669.db2.gz KGZWWSKWHSNGSA-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923499201 626477321 /nfs/dbraw/zinc/47/73/21/626477321.db2.gz RHHBADVGRISYGJ-GHMZBOCLSA-N 1 1 297.786 2.665 20 5 CFBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659019 626549852 /nfs/dbraw/zinc/54/98/52/626549852.db2.gz UQUOHEVZJOFJQX-SMDDNHRTSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1nn(C[N@H+](C)CC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761290348 626821767 /nfs/dbraw/zinc/82/17/67/626821767.db2.gz OMEJPSPYOYQEIJ-UHFFFAOYSA-N 1 1 276.340 2.798 20 5 CFBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000767000593 627230825 /nfs/dbraw/zinc/23/08/25/627230825.db2.gz QNEPAQPAHZIAPW-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC23CCC3)cc1 ZINC000770000855 627495750 /nfs/dbraw/zinc/49/57/50/627495750.db2.gz KEFIXRCDRHSVCW-CQSZACIVSA-N 1 1 276.336 2.647 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459416 627605878 /nfs/dbraw/zinc/60/58/78/627605878.db2.gz JYIMWWCIQBNBIR-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732781 628060327 /nfs/dbraw/zinc/06/03/27/628060327.db2.gz VTLSONXUTJYOLP-DOMZBBRYSA-N 1 1 278.352 2.750 20 5 CFBDMO CO[C@H]1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038763 634633068 /nfs/dbraw/zinc/63/30/68/634633068.db2.gz RHKUSQSVWLXGIA-KBPBESRZSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578639 628160438 /nfs/dbraw/zinc/16/04/38/628160438.db2.gz HZTKLAWBKNGFBK-AWEZNQCLSA-N 1 1 264.325 2.501 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581977 628160556 /nfs/dbraw/zinc/16/05/56/628160556.db2.gz KLTSVIMLAVRVKF-FZMZJTMJSA-N 1 1 266.341 2.606 20 5 CFBDMO C[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584351 628161640 /nfs/dbraw/zinc/16/16/40/628161640.db2.gz MTBZRZAWYPHFMB-SWLSCSKDSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591255 628162513 /nfs/dbraw/zinc/16/25/13/628162513.db2.gz IKQBBZKGMVVVOZ-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO CSCC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592320 628163229 /nfs/dbraw/zinc/16/32/29/628163229.db2.gz KXOYGHNWZRIJBY-FZMZJTMJSA-N 1 1 298.408 2.702 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591584 628163478 /nfs/dbraw/zinc/16/34/78/628163478.db2.gz KRCBKFSUVDPVKI-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C)[C@H](C)C1 ZINC000778954474 628341547 /nfs/dbraw/zinc/34/15/47/628341547.db2.gz WZOJUKLBZRPWKB-OLZOCXBDSA-N 1 1 277.368 2.600 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCO)CC2)cc1Cl ZINC000783523620 628716245 /nfs/dbraw/zinc/71/62/45/628716245.db2.gz GVYYPJBEUFOJLC-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350118 628808222 /nfs/dbraw/zinc/80/82/22/628808222.db2.gz YETSUWSORWQWJJ-IUODEOHRSA-N 1 1 292.379 2.996 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000852219688 634696325 /nfs/dbraw/zinc/69/63/25/634696325.db2.gz RYJBCKDPAWTRDU-GWCFXTLKSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000852219688 634696331 /nfs/dbraw/zinc/69/63/31/634696331.db2.gz RYJBCKDPAWTRDU-GWCFXTLKSA-N 1 1 291.307 2.877 20 5 CFBDMO CC[C@H](C)[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290432 634711820 /nfs/dbraw/zinc/71/18/20/634711820.db2.gz IAEUIDBDNUFBBM-FZMZJTMJSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000791052325 629284281 /nfs/dbraw/zinc/28/42/81/629284281.db2.gz MCIXOFIDELXYHK-UKRRQHHQSA-N 1 1 262.353 2.779 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000791055275 629284905 /nfs/dbraw/zinc/28/49/05/629284905.db2.gz RGZLYCZBZXYIRI-OAHLLOKOSA-N 1 1 273.336 2.972 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000791055275 629284907 /nfs/dbraw/zinc/28/49/07/629284907.db2.gz RGZLYCZBZXYIRI-OAHLLOKOSA-N 1 1 273.336 2.972 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000791055779 629284962 /nfs/dbraw/zinc/28/49/62/629284962.db2.gz XJCVHABTBJUBRD-UHFFFAOYSA-N 1 1 297.358 2.990 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000791055779 629284963 /nfs/dbraw/zinc/28/49/63/629284963.db2.gz XJCVHABTBJUBRD-UHFFFAOYSA-N 1 1 297.358 2.990 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794705555 629677917 /nfs/dbraw/zinc/67/79/17/629677917.db2.gz KZXXTMFCYFRFMN-NSHDSACASA-N 1 1 266.345 2.507 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000804624268 630766913 /nfs/dbraw/zinc/76/69/13/630766913.db2.gz LGSIQQPMVZABJR-JTQLQIEISA-N 1 1 292.726 2.872 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809754652 631280876 /nfs/dbraw/zinc/28/08/76/631280876.db2.gz LQTSFSXTNBCVQE-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000842167186 631559730 /nfs/dbraw/zinc/55/97/30/631559730.db2.gz SDUHQEMMJANQNJ-YXMPFFBPSA-N 1 1 278.352 2.605 20 5 CFBDMO CCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172845 631870581 /nfs/dbraw/zinc/87/05/81/631870581.db2.gz OUMQULKAJAZESA-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172845 631870587 /nfs/dbraw/zinc/87/05/87/631870587.db2.gz OUMQULKAJAZESA-AWEZNQCLSA-N 1 1 292.335 2.512 20 5 CFBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251965 632045552 /nfs/dbraw/zinc/04/55/52/632045552.db2.gz YOMXLYMXQSXIQU-GJZGRUSLSA-N 1 1 292.379 2.995 20 5 CFBDMO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597739 632295374 /nfs/dbraw/zinc/29/53/74/632295374.db2.gz FCNHSZIYAMDGGF-SECBINFHSA-N 1 1 290.298 2.562 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[N@@H+]1C ZINC000816653317 632505157 /nfs/dbraw/zinc/50/51/57/632505157.db2.gz NSNGEMZEJIHJGG-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000848520900 633274668 /nfs/dbraw/zinc/27/46/68/633274668.db2.gz RXWADYXIMJTXQS-GMSGAONNSA-N 1 1 283.715 2.903 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848785626 633343720 /nfs/dbraw/zinc/34/37/20/633343720.db2.gz NMKRIOBZRGYUEJ-OLZOCXBDSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000849325808 633617560 /nfs/dbraw/zinc/61/75/60/633617560.db2.gz UDXLPEBWSYGMII-QEJZJMRPSA-N 1 1 276.336 2.503 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cs1 ZINC000850370699 633960171 /nfs/dbraw/zinc/96/01/71/633960171.db2.gz FORBDOCXDFGABI-CHWSQXEVSA-N 1 1 290.344 2.924 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111165771 634937067 /nfs/dbraw/zinc/93/70/67/634937067.db2.gz DIDHZEGIDQUNRX-NSHDSACASA-N 1 1 276.340 2.880 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000853390101 634990585 /nfs/dbraw/zinc/99/05/85/634990585.db2.gz LMLYXQANSCHXBS-VIFPVBQESA-N 1 1 269.370 2.861 20 5 CFBDMO Cc1nn(C[N@@H+](CCC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000853605390 635047291 /nfs/dbraw/zinc/04/72/91/635047291.db2.gz FJBGKGLTPFJTJW-UHFFFAOYSA-N 1 1 278.356 2.569 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000157127014 650213544 /nfs/dbraw/zinc/21/35/44/650213544.db2.gz TVZVLCADFDACID-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114445208 635833946 /nfs/dbraw/zinc/83/39/46/635833946.db2.gz SIXFOSDNVWMSSJ-CQSZACIVSA-N 1 1 276.340 2.571 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114445208 635833954 /nfs/dbraw/zinc/83/39/54/635833954.db2.gz SIXFOSDNVWMSSJ-CQSZACIVSA-N 1 1 276.340 2.571 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000860084946 636781727 /nfs/dbraw/zinc/78/17/27/636781727.db2.gz VABJUFUOJQECIP-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000860084946 636781740 /nfs/dbraw/zinc/78/17/40/636781740.db2.gz VABJUFUOJQECIP-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOC3CCC3)c2c1 ZINC000865564186 638426784 /nfs/dbraw/zinc/42/67/84/638426784.db2.gz KGNPNPMCRDMSIG-UHFFFAOYSA-N 1 1 287.319 2.546 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209147 638771511 /nfs/dbraw/zinc/77/15/11/638771511.db2.gz PPSXFMHEMVLYAG-DGCLKSJQSA-N 1 1 293.342 2.573 20 5 CFBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(F)F ZINC000866364567 638805050 /nfs/dbraw/zinc/80/50/50/638805050.db2.gz RMQIPBOKDDFEKA-MRVPVSSYSA-N 1 1 276.258 2.910 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC3(CCC3)C2)c1 ZINC000121860471 638900375 /nfs/dbraw/zinc/90/03/75/638900375.db2.gz AMKPLFBEYUMEOZ-UHFFFAOYSA-N 1 1 286.335 2.778 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2ccccc2)CC1 ZINC000193373697 650647623 /nfs/dbraw/zinc/64/76/23/650647623.db2.gz WOTSJVFSVZMFGP-UHFFFAOYSA-N 1 1 286.335 2.628 20 5 CFBDMO CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123609982 641314249 /nfs/dbraw/zinc/31/42/49/641314249.db2.gz YMJQEBGOSJRTPF-UHFFFAOYSA-N 1 1 285.731 2.529 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+](C)C ZINC000872071771 641603221 /nfs/dbraw/zinc/60/32/21/641603221.db2.gz WZUAVWWRRFSGQZ-JTQLQIEISA-N 1 1 283.397 2.529 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+](C)C ZINC000872071772 641603498 /nfs/dbraw/zinc/60/34/98/641603498.db2.gz WZUAVWWRRFSGQZ-SNVBAGLBSA-N 1 1 283.397 2.529 20 5 CFBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089509 641623176 /nfs/dbraw/zinc/62/31/76/641623176.db2.gz YYFPKGHBNYVCCY-NWDGAFQWSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129602 641657505 /nfs/dbraw/zinc/65/75/05/641657505.db2.gz RSCSXPASFBMBSI-LALPHHSUSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129602 641657509 /nfs/dbraw/zinc/65/75/09/641657509.db2.gz RSCSXPASFBMBSI-LALPHHSUSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129801 641657793 /nfs/dbraw/zinc/65/77/93/641657793.db2.gz UTQIKHKGJSFSQL-YNEHKIRRSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129801 641657794 /nfs/dbraw/zinc/65/77/94/641657794.db2.gz UTQIKHKGJSFSQL-YNEHKIRRSA-N 1 1 289.379 2.871 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)c2c1 ZINC000872712226 641907488 /nfs/dbraw/zinc/90/74/88/641907488.db2.gz KHEAGJMGJMVRBH-OKILXGFUSA-N 1 1 298.346 2.800 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872779859 641933841 /nfs/dbraw/zinc/93/38/41/641933841.db2.gz JBJRFNCKFHMDGX-CHWSQXEVSA-N 1 1 275.352 2.576 20 5 CFBDMO CC[N@@H+](CCC(=O)OC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876630835 642949889 /nfs/dbraw/zinc/94/98/89/642949889.db2.gz LUFLQLCWOFDGBZ-UHFFFAOYSA-N 1 1 294.351 2.597 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245753615 650832952 /nfs/dbraw/zinc/83/29/52/650832952.db2.gz OLNVWBBGVVQSFE-VXGBXAGGSA-N 1 1 288.351 2.880 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(C)(C)CO ZINC000877562188 643361009 /nfs/dbraw/zinc/36/10/09/643361009.db2.gz WTSCKQVBPFIYQD-UHFFFAOYSA-N 1 1 280.368 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000877640551 643425510 /nfs/dbraw/zinc/42/55/10/643425510.db2.gz OVQDSRQWFPGYHJ-BLLLJJGKSA-N 1 1 292.379 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000877646457 643429997 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CO[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879322040 644228115 /nfs/dbraw/zinc/22/81/15/644228115.db2.gz TZFZCYNGMJXWSN-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616666 644350704 /nfs/dbraw/zinc/35/07/04/644350704.db2.gz IDQNGAGWRAWAKN-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CF)C1 ZINC000880291166 644629843 /nfs/dbraw/zinc/62/98/43/644629843.db2.gz CIJTUSNROXOOAN-QWRGUYRKSA-N 1 1 252.289 2.947 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880293054 644631488 /nfs/dbraw/zinc/63/14/88/644631488.db2.gz CYWNSZUUNGLAQH-LLVKDONJSA-N 1 1 282.315 2.785 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CF)C1 ZINC000880294041 644633451 /nfs/dbraw/zinc/63/34/51/644633451.db2.gz QTLBPSAFZXAEPP-GHMZBOCLSA-N 1 1 252.289 2.947 20 5 CFBDMO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000881807914 645131518 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C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000595110254 349583914 /nfs/dbraw/zinc/58/39/14/349583914.db2.gz ZSYHHZJSOSANMR-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333338 349604685 /nfs/dbraw/zinc/60/46/85/349604685.db2.gz SDHLGGRPJWXGCO-SCZZXKLOSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595317847 349601257 /nfs/dbraw/zinc/60/12/57/349601257.db2.gz FQLTYCSWWXYQTJ-NSHDSACASA-N 1 1 267.329 2.902 20 5 CFBDMO CCC1(CC)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340399 349605491 /nfs/dbraw/zinc/60/54/91/349605491.db2.gz WDEZSCAGILDAOD-UHFFFAOYSA-N 1 1 267.329 2.903 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595428260 349623472 /nfs/dbraw/zinc/62/34/72/349623472.db2.gz WUNYSUGOTVCKJA-JTQLQIEISA-N 1 1 267.329 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000595436752 349625756 /nfs/dbraw/zinc/62/57/56/349625756.db2.gz AQVDTSWUOOWQFO-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000595436752 349625760 /nfs/dbraw/zinc/62/57/60/349625760.db2.gz AQVDTSWUOOWQFO-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595455195 349631677 /nfs/dbraw/zinc/63/16/77/349631677.db2.gz SWOYFWXRLJCFNI-NSHDSACASA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457164 349632951 /nfs/dbraw/zinc/63/29/51/349632951.db2.gz ATHHAOMPBCKZMX-JTNHKYCSSA-N 1 1 296.342 2.715 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000595478154 349638474 /nfs/dbraw/zinc/63/84/74/349638474.db2.gz YEWGULXGUKHOHV-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000595478154 349638475 /nfs/dbraw/zinc/63/84/75/349638475.db2.gz YEWGULXGUKHOHV-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595521992 349649955 /nfs/dbraw/zinc/64/99/55/349649955.db2.gz HLBQFYNHMIMGAK-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595520667 349650332 /nfs/dbraw/zinc/65/03/32/349650332.db2.gz RSQSLLKEHHAKOM-SNVBAGLBSA-N 1 1 292.314 2.801 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000595495172 349642304 /nfs/dbraw/zinc/64/23/04/349642304.db2.gz RKOZYZGKGFARDI-SNVBAGLBSA-N 1 1 270.304 2.591 20 5 CFBDMO CC(=O)c1ccc(NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913554 346876297 /nfs/dbraw/zinc/87/62/97/346876297.db2.gz SLKYWYMYPJYOHD-SNVBAGLBSA-N 1 1 291.351 2.692 20 5 CFBDMO CC(=O)c1ccc(NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913550 346876312 /nfs/dbraw/zinc/87/63/12/346876312.db2.gz SLKYWYMYPJYOHD-JTQLQIEISA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1noc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c1[N+](=O)[O-] ZINC000595510093 349646547 /nfs/dbraw/zinc/64/65/47/349646547.db2.gz JZJCLOHUGBLDOC-DTWKUNHWSA-N 1 1 290.323 2.507 20 5 CFBDMO Cc1noc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c1[N+](=O)[O-] ZINC000595510095 349647039 /nfs/dbraw/zinc/64/70/39/349647039.db2.gz JZJCLOHUGBLDOC-RKDXNWHRSA-N 1 1 290.323 2.507 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535510 349653066 /nfs/dbraw/zinc/65/30/66/349653066.db2.gz GSCKTRXOSABSCK-CYBMUJFWSA-N 1 1 277.368 2.511 20 5 CFBDMO CC[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595537011 349654188 /nfs/dbraw/zinc/65/41/88/349654188.db2.gz ZXDSWUVRKWPCND-LLVKDONJSA-N 1 1 283.397 2.572 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595570538 349663003 /nfs/dbraw/zinc/66/30/03/349663003.db2.gz WRWFYYXFSMIHRS-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO Cc1c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619054 349678922 /nfs/dbraw/zinc/67/89/22/349678922.db2.gz ZALKJMUHBGKTDB-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619054 349678924 /nfs/dbraw/zinc/67/89/24/349678924.db2.gz ZALKJMUHBGKTDB-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673031 349695782 /nfs/dbraw/zinc/69/57/82/349695782.db2.gz JHYMVQQLLGQXEK-BXUZGUMPSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672278 349695891 /nfs/dbraw/zinc/69/58/91/349695891.db2.gz XYFYBPCIWJFJAQ-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670804 349696264 /nfs/dbraw/zinc/69/62/64/349696264.db2.gz DLYXTDSQTFBIFR-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678660 349698256 /nfs/dbraw/zinc/69/82/56/349698256.db2.gz SIQLMVYWDGHIBV-WFASDCNBSA-N 1 1 292.379 2.886 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704818 349711406 /nfs/dbraw/zinc/71/14/06/349711406.db2.gz WAEWALDVOFULDK-CZUORRHYSA-N 1 1 292.379 2.620 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595888466 349761542 /nfs/dbraw/zinc/76/15/42/349761542.db2.gz MSNMNVJTOZNEEL-UHFFFAOYSA-N 1 1 294.376 2.579 20 5 CFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072872199 346946195 /nfs/dbraw/zinc/94/61/95/346946195.db2.gz AHSXJHLWNRSXTN-TUAOUCFPSA-N 1 1 291.351 2.510 20 5 CFBDMO Cc1cc(N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])s1 ZINC000596169397 349816279 /nfs/dbraw/zinc/81/62/79/349816279.db2.gz ISMMLBPTEOCSLJ-UHFFFAOYSA-N 1 1 294.380 2.996 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000596539656 349934758 /nfs/dbraw/zinc/93/47/58/349934758.db2.gz AXYBANNNAVYEAT-UHFFFAOYSA-N 1 1 266.345 2.522 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000173642526 232279046 /nfs/dbraw/zinc/27/90/46/232279046.db2.gz ZMLIJZJHKMBHLQ-UHFFFAOYSA-N 1 1 294.351 2.857 20 5 CFBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558898 349941962 /nfs/dbraw/zinc/94/19/62/349941962.db2.gz UKUXJDRHXLVUHE-CQSZACIVSA-N 1 1 298.346 2.676 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295133126 199363148 /nfs/dbraw/zinc/36/31/48/199363148.db2.gz OVRKHBXJCCXGJA-BIENSFFJSA-N 1 1 290.363 2.966 20 5 CFBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000029912059 346284312 /nfs/dbraw/zinc/28/43/12/346284312.db2.gz VCRVILMYSIEWRL-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000029912059 346284318 /nfs/dbraw/zinc/28/43/18/346284318.db2.gz VCRVILMYSIEWRL-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000030148764 346286560 /nfs/dbraw/zinc/28/65/60/346286560.db2.gz YYKANVNDNCCRRU-GFCCVEGCSA-N 1 1 293.367 2.818 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075721906 347095256 /nfs/dbraw/zinc/09/52/56/347095256.db2.gz SSTTUVMVOXOVOU-NSHDSACASA-N 1 1 272.308 2.702 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cs1 ZINC000054175132 346562246 /nfs/dbraw/zinc/56/22/46/346562246.db2.gz RAVCABCFQHPZAV-JTQLQIEISA-N 1 1 282.365 2.657 20 5 CFBDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053365375 346544002 /nfs/dbraw/zinc/54/40/02/346544002.db2.gz IOFRVRMGHGVIGU-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CCCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000057832147 346638128 /nfs/dbraw/zinc/63/81/28/346638128.db2.gz FNJOYFXNFGXMMY-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccncc1[N+](=O)[O-] ZINC000066810501 346780842 /nfs/dbraw/zinc/78/08/42/346780842.db2.gz IXXMBOGQCBGVJB-UHFFFAOYSA-N 1 1 292.383 2.691 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537836 346735756 /nfs/dbraw/zinc/73/57/56/346735756.db2.gz GJPCOLLWZNRDOD-LLVKDONJSA-N 1 1 264.325 2.704 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)C ZINC000065962471 346745418 /nfs/dbraw/zinc/74/54/18/346745418.db2.gz YGIVCSMENQKSDD-UHFFFAOYSA-N 1 1 252.314 2.691 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407105 347138393 /nfs/dbraw/zinc/13/83/93/347138393.db2.gz HYBCNKNLKZAXHP-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000076177815 347127707 /nfs/dbraw/zinc/12/77/07/347127707.db2.gz HPEFTWNADZHBHC-UHFFFAOYSA-N 1 1 276.336 2.597 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000091477772 347589327 /nfs/dbraw/zinc/58/93/27/347589327.db2.gz HPFYRMKOPCFTNG-GFCCVEGCSA-N 1 1 272.308 2.527 20 5 CFBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000091484279 347590662 /nfs/dbraw/zinc/59/06/62/347590662.db2.gz OKHPIOWYHBZYJW-BXUZGUMPSA-N 1 1 263.341 2.514 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000091485398 347590750 /nfs/dbraw/zinc/59/07/50/347590750.db2.gz FGJYWUQCSTZGKN-HIFRSBDPSA-N 1 1 275.352 2.658 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000092622013 347635187 /nfs/dbraw/zinc/63/51/87/347635187.db2.gz JGRLMUHPRQEYOW-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000092626569 347635670 /nfs/dbraw/zinc/63/56/70/347635670.db2.gz RBKBLVGMIUCGGZ-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000155474993 347987063 /nfs/dbraw/zinc/98/70/63/347987063.db2.gz KQFIHFISKNYAGY-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CO)c(Cl)c1 ZINC000157088230 347998251 /nfs/dbraw/zinc/99/82/51/347998251.db2.gz QBESTIFNJCHILS-ZDUSSCGKSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000282368156 348343795 /nfs/dbraw/zinc/34/37/95/348343795.db2.gz XYECFZDONVHEQW-UHFFFAOYSA-N 1 1 286.335 2.681 20 5 CFBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000312796975 348420085 /nfs/dbraw/zinc/42/00/85/348420085.db2.gz QJGLFCTVMMEYAY-QWRGUYRKSA-N 1 1 296.758 2.682 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000273408222 192140989 /nfs/dbraw/zinc/14/09/89/192140989.db2.gz NXWRDKKRARYFBL-CQSZACIVSA-N 1 1 286.335 2.794 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000273408222 192140991 /nfs/dbraw/zinc/14/09/91/192140991.db2.gz NXWRDKKRARYFBL-CQSZACIVSA-N 1 1 286.335 2.794 20 5 CFBDMO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404444380 348592033 /nfs/dbraw/zinc/59/20/33/348592033.db2.gz WJUJHJLWKXZCNN-SWLSCSKDSA-N 1 1 277.368 2.544 20 5 CFBDMO C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589959 348681646 /nfs/dbraw/zinc/68/16/46/348681646.db2.gz CXYIIZUHWUQYIT-RISCZKNCSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000584589959 348681652 /nfs/dbraw/zinc/68/16/52/348681652.db2.gz CXYIIZUHWUQYIT-RISCZKNCSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000589584238 348839357 /nfs/dbraw/zinc/83/93/57/348839357.db2.gz LGZDQZFLODXPQV-BDAKNGLRSA-N 1 1 267.354 2.693 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000589742347 348854720 /nfs/dbraw/zinc/85/47/20/348854720.db2.gz LBEOBJGDDDZPGW-RDJZCZTQSA-N 1 1 295.342 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000590663650 348924881 /nfs/dbraw/zinc/92/48/81/348924881.db2.gz CXVLBXKBYGPHDJ-CABCVRRESA-N 1 1 290.363 2.760 20 5 CFBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703958 348931599 /nfs/dbraw/zinc/93/15/99/348931599.db2.gz NWQJDRFCKBWYEL-JTQLQIEISA-N 1 1 281.381 2.577 20 5 CFBDMO Cc1ccc(C[NH+]2CC3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000590969197 348974351 /nfs/dbraw/zinc/97/43/51/348974351.db2.gz GNLPBELETGODGX-UHFFFAOYSA-N 1 1 276.336 2.516 20 5 CFBDMO Cc1c([C@@H](C)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591578240 349032184 /nfs/dbraw/zinc/03/21/84/349032184.db2.gz DVUVURYFOYLHHC-OLZOCXBDSA-N 1 1 277.368 2.696 20 5 CFBDMO C[N@@H+](CCC[C@@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000592120686 349085937 /nfs/dbraw/zinc/08/59/37/349085937.db2.gz JZWGMXDHVQRBSR-OAHLLOKOSA-N 1 1 292.379 2.886 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000592202597 349100027 /nfs/dbraw/zinc/10/00/27/349100027.db2.gz ORLKCAIMRYWVBO-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000593071310 349201217 /nfs/dbraw/zinc/20/12/17/349201217.db2.gz SFQKSZAOGDICPU-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](CO)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593082850 349204803 /nfs/dbraw/zinc/20/48/03/349204803.db2.gz IROXNKKHEFJPBT-LLVKDONJSA-N 1 1 296.342 2.574 20 5 CFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1csnn1 ZINC000414307973 233222414 /nfs/dbraw/zinc/22/24/14/233222414.db2.gz SGNCTLLBYCTWNL-NXEZZACHSA-N 1 1 292.364 2.728 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000414473736 233262264 /nfs/dbraw/zinc/26/22/64/233262264.db2.gz RAXDHYLGDLGSTJ-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000414473736 233262267 /nfs/dbraw/zinc/26/22/67/233262267.db2.gz RAXDHYLGDLGSTJ-INIZCTEOSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414473605 233262323 /nfs/dbraw/zinc/26/23/23/233262323.db2.gz BELQRSWOBFHLMG-JHAQOBCDSA-N 1 1 294.326 2.668 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCO[C@H](CF)C1 ZINC000414473605 233262325 /nfs/dbraw/zinc/26/23/25/233262325.db2.gz BELQRSWOBFHLMG-JHAQOBCDSA-N 1 1 294.326 2.668 20 5 CFBDMO C[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414913814 233397710 /nfs/dbraw/zinc/39/77/10/233397710.db2.gz WYBLLWGKGXWVNY-OUOZUETKSA-N 1 1 289.379 2.587 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598648326 350301117 /nfs/dbraw/zinc/30/11/17/350301117.db2.gz GEEBVHIFKVWFBG-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598648326 350301121 /nfs/dbraw/zinc/30/11/21/350301121.db2.gz GEEBVHIFKVWFBG-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2n[nH]cc2C1 ZINC000598938596 350347450 /nfs/dbraw/zinc/34/74/50/350347450.db2.gz FEYNHLKJUJBBSF-KPKJPENVSA-N 1 1 298.346 2.780 20 5 CFBDMO CN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962732 350349542 /nfs/dbraw/zinc/34/95/42/350349542.db2.gz IQSZMKXXAHOXNH-CQSZACIVSA-N 1 1 291.395 2.600 20 5 CFBDMO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070035 350370224 /nfs/dbraw/zinc/37/02/24/350370224.db2.gz JOZKRORIJBJQFN-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599128303 350381301 /nfs/dbraw/zinc/38/13/01/350381301.db2.gz WDBVYWXTVXAABD-CYBMUJFWSA-N 1 1 290.367 2.809 20 5 CFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599165235 350387559 /nfs/dbraw/zinc/38/75/59/350387559.db2.gz OIKSOPVZNTWVNN-NSHDSACASA-N 1 1 294.330 2.558 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571448 350457293 /nfs/dbraw/zinc/45/72/93/350457293.db2.gz HOLXXXMUEDRKIL-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000107679504 186184303 /nfs/dbraw/zinc/18/43/03/186184303.db2.gz GLHCGMPNEYVGFX-UHFFFAOYSA-N 1 1 266.341 2.762 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000109333647 186247733 /nfs/dbraw/zinc/24/77/33/186247733.db2.gz UHRKOSUCMPYIPT-UHFFFAOYSA-N 1 1 266.341 2.843 20 5 CFBDMO CCC[C@@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116248 350672570 /nfs/dbraw/zinc/67/25/70/350672570.db2.gz JGDOOWFRUVEIAF-OAHLLOKOSA-N 1 1 289.335 2.528 20 5 CFBDMO CCOc1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048961 186348511 /nfs/dbraw/zinc/34/85/11/186348511.db2.gz SDUARNFXPZIQNQ-LBPRGKRZSA-N 1 1 291.351 2.642 20 5 CFBDMO COC1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000601140419 350680698 /nfs/dbraw/zinc/68/06/98/350680698.db2.gz 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C[C@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456623 350889375 /nfs/dbraw/zinc/88/93/75/350889375.db2.gz BDSAYEPIEINKKR-GFCCVEGCSA-N 1 1 288.351 2.564 20 5 CFBDMO Cn1cc(C[N@@H+](C)C2CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602471456 350894871 /nfs/dbraw/zinc/89/48/71/350894871.db2.gz CYXRBWOWMNIVAC-UHFFFAOYSA-N 1 1 280.372 2.729 20 5 CFBDMO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602738644 351009324 /nfs/dbraw/zinc/00/93/24/351009324.db2.gz HEOHQHCXKXRHSS-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602738644 351009327 /nfs/dbraw/zinc/00/93/27/351009327.db2.gz HEOHQHCXKXRHSS-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602773582 351020316 /nfs/dbraw/zinc/02/03/16/351020316.db2.gz SIRDHTNVOZNZSL-UHFFFAOYSA-N 1 1 294.380 2.602 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C(C)C)C1CCCC1 ZINC000602787872 351026171 /nfs/dbraw/zinc/02/61/71/351026171.db2.gz 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O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997689 351088256 /nfs/dbraw/zinc/08/82/56/351088256.db2.gz OWKIGRCSUPWCIG-XHSDSOJGSA-N 1 1 290.363 2.720 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000604408745 351211503 /nfs/dbraw/zinc/21/15/03/351211503.db2.gz GNOQENRZHCGVGK-SECBINFHSA-N 1 1 255.343 2.553 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409230 351211532 /nfs/dbraw/zinc/21/15/32/351211532.db2.gz GSMMXHPGUAKLAJ-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000604409322 351211612 /nfs/dbraw/zinc/21/16/12/351211612.db2.gz YMMARATZHRPLGV-JTQLQIEISA-N 1 1 269.370 2.943 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609258338 351493962 /nfs/dbraw/zinc/49/39/62/351493962.db2.gz SWMNFVODLGLEGN-HNNXBMFYSA-N 1 1 286.335 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610133481 351535995 /nfs/dbraw/zinc/53/59/95/351535995.db2.gz RZJDVZKUPOJYLU-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610282861 351549532 /nfs/dbraw/zinc/54/95/32/351549532.db2.gz AGZWSABDZPCAAV-NSHDSACASA-N 1 1 283.397 2.824 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671986 351516065 /nfs/dbraw/zinc/51/60/65/351516065.db2.gz SUUMBRXXZISPKB-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671986 351516070 /nfs/dbraw/zinc/51/60/70/351516070.db2.gz SUUMBRXXZISPKB-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000610476415 351569198 /nfs/dbraw/zinc/56/91/98/351569198.db2.gz XMHPCJVDTOHADE-UHFFFAOYSA-N 1 1 284.331 2.574 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580927 351583209 /nfs/dbraw/zinc/58/32/09/351583209.db2.gz CGKCHEPAOAKZTJ-VIFPVBQESA-N 1 1 275.308 2.966 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610661981 351589166 /nfs/dbraw/zinc/58/91/66/351589166.db2.gz FBCLJEBZKJQYBW-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610661981 351589170 /nfs/dbraw/zinc/58/91/70/351589170.db2.gz FBCLJEBZKJQYBW-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000610807997 351610708 /nfs/dbraw/zinc/61/07/08/351610708.db2.gz GWIQTMKAIJAOHD-QWRGUYRKSA-N 1 1 281.381 2.577 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)[NH+](C)C ZINC000610810976 351610747 /nfs/dbraw/zinc/61/07/47/351610747.db2.gz HEYIBERWKQUYFA-NWDGAFQWSA-N 1 1 265.357 2.504 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000611177113 351646909 /nfs/dbraw/zinc/64/69/09/351646909.db2.gz UGQNSVMSBLCIAR-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000611177113 351646911 /nfs/dbraw/zinc/64/69/11/351646911.db2.gz UGQNSVMSBLCIAR-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000611179316 351647620 /nfs/dbraw/zinc/64/76/20/351647620.db2.gz AMEZARBYVHYPOY-UHFFFAOYSA-N 1 1 268.263 2.826 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611221661 351652356 /nfs/dbraw/zinc/65/23/56/351652356.db2.gz JHPBMGQDRIYHEM-VHSXEESVSA-N 1 1 298.774 2.562 20 5 CFBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000611411731 351685150 /nfs/dbraw/zinc/68/51/50/351685150.db2.gz XDLCUYURCYLYHM-SECBINFHSA-N 1 1 267.354 2.553 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611413077 351685877 /nfs/dbraw/zinc/68/58/77/351685877.db2.gz SWQNMSRCAPKETH-JTQLQIEISA-N 1 1 267.354 2.553 20 5 CFBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611537739 351705230 /nfs/dbraw/zinc/70/52/30/351705230.db2.gz XUAPOFOKAIEUPI-UHFFFAOYSA-N 1 1 288.307 2.553 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000611285454 351664532 /nfs/dbraw/zinc/66/45/32/351664532.db2.gz FAOZMAJUZLJTAH-GHMZBOCLSA-N 1 1 292.335 2.596 20 5 CFBDMO COC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611784227 351740130 /nfs/dbraw/zinc/74/01/30/351740130.db2.gz BAOHTTUMIJFDLM-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO COC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611784227 351740135 /nfs/dbraw/zinc/74/01/35/351740135.db2.gz BAOHTTUMIJFDLM-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO COc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000122925216 187059676 /nfs/dbraw/zinc/05/96/76/187059676.db2.gz BZPBSKLJKMNUNW-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000122941809 187060968 /nfs/dbraw/zinc/06/09/68/187060968.db2.gz UWERNRBLYBGJRJ-NEPJUHHUSA-N 1 1 275.352 2.940 20 5 CFBDMO COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123007844 187065678 /nfs/dbraw/zinc/06/56/78/187065678.db2.gz VZIFHOUIJUECLU-PHIMTYICSA-N 1 1 264.325 2.976 20 5 CFBDMO Cc1c(C[N@H+](C)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000124292518 187130912 /nfs/dbraw/zinc/13/09/12/187130912.db2.gz RBZBUCUURVBPAE-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO Cc1ccncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123248181 187080100 /nfs/dbraw/zinc/08/01/00/187080100.db2.gz GNKNAAKWEWJOLC-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000614976521 352138379 /nfs/dbraw/zinc/13/83/79/352138379.db2.gz HYFNCNBVFGYRLO-UHFFFAOYSA-N 1 1 281.381 2.721 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295159268 199378897 /nfs/dbraw/zinc/37/88/97/199378897.db2.gz MZJHFAFOVSBRQY-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295159268 199378899 /nfs/dbraw/zinc/37/88/99/199378899.db2.gz MZJHFAFOVSBRQY-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152817708 188045856 /nfs/dbraw/zinc/04/58/56/188045856.db2.gz VWXRPLIZYJCDDJ-TXEJJXNPSA-N 1 1 276.336 2.835 20 5 CFBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000153042331 188060560 /nfs/dbraw/zinc/06/05/60/188060560.db2.gz JBIYYKSXTFFOKZ-UHFFFAOYSA-N 1 1 273.292 2.844 20 5 CFBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000153042331 188060561 /nfs/dbraw/zinc/06/05/61/188060561.db2.gz JBIYYKSXTFFOKZ-UHFFFAOYSA-N 1 1 273.292 2.844 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000153131594 188066992 /nfs/dbraw/zinc/06/69/92/188066992.db2.gz MSCQCWGYSKXJPU-PHIMTYICSA-N 1 1 264.300 2.966 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCF)C2CC2)c1 ZINC000153321407 188076141 /nfs/dbraw/zinc/07/61/41/188076141.db2.gz FIMFBCYZIVJCKZ-UHFFFAOYSA-N 1 1 252.289 2.919 20 5 CFBDMO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000153690932 188097585 /nfs/dbraw/zinc/09/75/85/188097585.db2.gz BYCRLZBNUBFYQA-QMMMGPOBSA-N 1 1 284.747 2.538 20 5 CFBDMO Cc1nn(C)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157719531 188334877 /nfs/dbraw/zinc/33/48/77/188334877.db2.gz 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/nfs/dbraw/zinc/38/02/01/189380201.db2.gz UESIBNUQNZAAKY-VIFPVBQESA-N 1 1 268.288 2.727 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301918929 201263335 /nfs/dbraw/zinc/26/33/35/201263335.db2.gz BVDGXJGPFGKOHH-LLVKDONJSA-N 1 1 283.397 2.824 20 5 CFBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302160996 201374180 /nfs/dbraw/zinc/37/41/80/201374180.db2.gz PMWLZMXEOGHQLE-UHFFFAOYSA-N 1 1 279.315 2.798 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275540094 193071689 /nfs/dbraw/zinc/07/16/89/193071689.db2.gz MPEPDGYPQVTEEB-LBPRGKRZSA-N 1 1 286.335 2.774 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000275826045 193139620 /nfs/dbraw/zinc/13/96/20/193139620.db2.gz KRWJTQZMYWPZFE-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000275826045 193139622 /nfs/dbraw/zinc/13/96/22/193139622.db2.gz KRWJTQZMYWPZFE-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443065921 241035791 /nfs/dbraw/zinc/03/57/91/241035791.db2.gz GWPPWVJVOLKEQS-GXTWGEPZSA-N 1 1 278.352 2.903 20 5 CFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000443514891 241070520 /nfs/dbraw/zinc/07/05/20/241070520.db2.gz YZOKQFTYNVYELG-LLVKDONJSA-N 1 1 298.412 2.540 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443793707 241088597 /nfs/dbraw/zinc/08/85/97/241088597.db2.gz YIRACXHQPBWVOH-NORZTCDRSA-N 1 1 292.379 2.885 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000443974230 241100913 /nfs/dbraw/zinc/10/09/13/241100913.db2.gz TZUJTLMOFFMOEU-UHFFFAOYSA-N 1 1 292.383 2.832 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNCC[N@H+]1CCCC1(C)C ZINC000449784059 242162659 /nfs/dbraw/zinc/16/26/59/242162659.db2.gz UUYXOAGDRGGLLK-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CCCC1(C)C ZINC000449784059 242162660 /nfs/dbraw/zinc/16/26/60/242162660.db2.gz UUYXOAGDRGGLLK-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000450274380 242334781 /nfs/dbraw/zinc/33/47/81/242334781.db2.gz GVYGYESQIWOBAU-NSHDSACASA-N 1 1 298.346 2.792 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1C ZINC000452043051 243022036 /nfs/dbraw/zinc/02/20/36/243022036.db2.gz PEICMZZETSPYIA-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000276104613 193215000 /nfs/dbraw/zinc/21/50/00/193215000.db2.gz WVRLHLMWVVRJDW-CTYIDZIISA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863675 203328011 /nfs/dbraw/zinc/32/80/11/203328011.db2.gz TXLOMKJWRBFWGQ-WCQYABFASA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459399319 245165246 /nfs/dbraw/zinc/16/52/46/245165246.db2.gz YVWGLNAMKDEQNW-UHFFFAOYSA-N 1 1 284.319 2.552 20 5 CFBDMO 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CCCC[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351262 373758959 /nfs/dbraw/zinc/75/89/59/373758959.db2.gz ZDJONNBHBPYLLF-AWEZNQCLSA-N 1 1 266.341 2.750 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000065586733 373889986 /nfs/dbraw/zinc/88/99/86/373889986.db2.gz GICCBMWRDQYQFX-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000068451030 374030294 /nfs/dbraw/zinc/03/02/94/374030294.db2.gz SHLTWBOBLJGXQT-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO C[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289497245 197377068 /nfs/dbraw/zinc/37/70/68/197377068.db2.gz ZQPMPJSXBBZQGB-ZETCQYMHSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289497245 197377069 /nfs/dbraw/zinc/37/70/69/197377069.db2.gz ZQPMPJSXBBZQGB-ZETCQYMHSA-N 1 1 293.150 2.714 20 5 CFBDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000338339967 220252361 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CC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289769013 381147525 /nfs/dbraw/zinc/14/75/25/381147525.db2.gz KGGNQOWHWZJTDW-UHFFFAOYSA-N 1 1 293.150 2.716 20 5 CFBDMO CC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289769013 381147534 /nfs/dbraw/zinc/14/75/34/381147534.db2.gz KGGNQOWHWZJTDW-UHFFFAOYSA-N 1 1 293.150 2.716 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000347466865 381169076 /nfs/dbraw/zinc/16/90/76/381169076.db2.gz ZFSYQRBKFKIOKI-UHFFFAOYSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000359084499 381255289 /nfs/dbraw/zinc/25/52/89/381255289.db2.gz RBUKELKIBGVHPR-ZWNOBZJWSA-N 1 1 290.367 2.501 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000359086609 381256977 /nfs/dbraw/zinc/25/69/77/381256977.db2.gz VXRFMZDNKOHADZ-STQMWFEESA-N 1 1 290.367 2.645 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000359105050 381268214 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O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000184141959 381376509 /nfs/dbraw/zinc/37/65/09/381376509.db2.gz XSWCPPJZKONUHH-UHFFFAOYSA-N 1 1 276.267 2.729 20 5 CFBDMO COc1cc(C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000184234274 381390306 /nfs/dbraw/zinc/39/03/06/381390306.db2.gz GKNHOXKXTHKPEJ-UHFFFAOYSA-N 1 1 282.315 2.974 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1F ZINC000342588091 381417885 /nfs/dbraw/zinc/41/78/85/381417885.db2.gz CERKLTAXTNOVSK-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000296566590 381452049 /nfs/dbraw/zinc/45/20/49/381452049.db2.gz QAODAYFVGVYMFY-CQSZACIVSA-N 1 1 293.367 2.637 20 5 CFBDMO CC/C=C/CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662363 381456525 /nfs/dbraw/zinc/45/65/25/381456525.db2.gz AUPPXLHZAYGZBI-ITDFMYJTSA-N 1 1 290.367 2.832 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000370723306 381499623 /nfs/dbraw/zinc/49/96/23/381499623.db2.gz 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COCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000292791577 381836418 /nfs/dbraw/zinc/83/64/18/381836418.db2.gz MMQNOHJRFNDOLR-UHFFFAOYSA-N 1 1 266.341 2.760 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361538167 381840513 /nfs/dbraw/zinc/84/05/13/381840513.db2.gz AHQVNPHENWFNFA-NSHDSACASA-N 1 1 280.372 2.586 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000361237420 381813100 /nfs/dbraw/zinc/81/31/00/381813100.db2.gz KHMQZABVBYCROB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000361237420 381813107 /nfs/dbraw/zinc/81/31/07/381813107.db2.gz KHMQZABVBYCROB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000349293613 381877312 /nfs/dbraw/zinc/87/73/12/381877312.db2.gz FSIUKHBMGKAGEQ-NSHDSACASA-N 1 1 266.341 2.531 20 5 CFBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361597375 381849246 /nfs/dbraw/zinc/84/92/46/381849246.db2.gz 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CC[N@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000373394663 381994699 /nfs/dbraw/zinc/99/46/99/381994699.db2.gz UZDMEFBRIFTDKF-UHFFFAOYSA-N 1 1 299.334 2.506 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973510 382042105 /nfs/dbraw/zinc/04/21/05/382042105.db2.gz HLPXQTYRJZOKCV-CYBMUJFWSA-N 1 1 279.384 2.976 20 5 CFBDMO CCN(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973510 382042111 /nfs/dbraw/zinc/04/21/11/382042111.db2.gz HLPXQTYRJZOKCV-CYBMUJFWSA-N 1 1 279.384 2.976 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000343984518 382047590 /nfs/dbraw/zinc/04/75/90/382047590.db2.gz VEXFNWCNMSJYRU-LLVKDONJSA-N 1 1 298.774 2.930 20 5 CFBDMO CC[N@@H+](CCNc1cccc(OC)c1[N+](=O)[O-])C(C)C ZINC000357234042 382070548 /nfs/dbraw/zinc/07/05/48/382070548.db2.gz GBLMCCKGZNDWSH-UHFFFAOYSA-N 1 1 281.356 2.746 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000374991972 382063433 /nfs/dbraw/zinc/06/34/33/382063433.db2.gz 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293.342 2.654 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345167174 382288339 /nfs/dbraw/zinc/28/83/39/382288339.db2.gz XRAXZEHCEHUAHQ-STQMWFEESA-N 1 1 277.368 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000357583541 382239511 /nfs/dbraw/zinc/23/95/11/382239511.db2.gz QOXOMBDULPXPBS-JTQLQIEISA-N 1 1 272.308 2.596 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000357583541 382239514 /nfs/dbraw/zinc/23/95/14/382239514.db2.gz QOXOMBDULPXPBS-JTQLQIEISA-N 1 1 272.308 2.596 20 5 CFBDMO CCC[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187697497 382251948 /nfs/dbraw/zinc/25/19/48/382251948.db2.gz POUGXSRPPUSXRF-RYUDHWBXSA-N 1 1 278.356 2.665 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419334905 382291718 /nfs/dbraw/zinc/29/17/18/382291718.db2.gz VOOAEPGGDPRXPU-STQMWFEESA-N 1 1 294.399 2.938 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000364327972 382307085 /nfs/dbraw/zinc/30/70/85/382307085.db2.gz LCGNLSPYNUJBOV-AWEZNQCLSA-N 1 1 286.335 2.628 20 5 CFBDMO COC(C)(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000345737738 382309643 /nfs/dbraw/zinc/30/96/43/382309643.db2.gz GMTVGZUKTRGILN-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO COc1cc(C[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000352416462 382319588 /nfs/dbraw/zinc/31/95/88/382319588.db2.gz GRBDGFDFSBDCLJ-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352424305 382325906 /nfs/dbraw/zinc/32/59/06/382325906.db2.gz FAXYXHCXWOMKKL-GFCCVEGCSA-N 1 1 294.351 2.849 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302822264 382326580 /nfs/dbraw/zinc/32/65/80/382326580.db2.gz SDGLHAVPXDQQOO-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000357802655 382329750 /nfs/dbraw/zinc/32/97/50/382329750.db2.gz KCKFAINYCFAXLU-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294101470 382415573 /nfs/dbraw/zinc/41/55/73/382415573.db2.gz MTNOLDGICNYUBK-GWCFXTLKSA-N 1 1 272.308 2.587 20 5 CFBDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000308641345 382481885 /nfs/dbraw/zinc/48/18/85/382481885.db2.gz IVFWVUYITQTIOW-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000279676208 194523105 /nfs/dbraw/zinc/52/31/05/194523105.db2.gz NZTMTFFDGKOJHM-IEXSPKMKSA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421399441 382516500 /nfs/dbraw/zinc/51/65/00/382516500.db2.gz PYVKCXFAHCRCFM-AWEZNQCLSA-N 1 1 292.379 2.888 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295097443 382576435 /nfs/dbraw/zinc/57/64/35/382576435.db2.gz FZLCNRWIMYNCRV-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382409268 382530658 /nfs/dbraw/zinc/53/06/58/382530658.db2.gz ZOXOXKYQPXBDKH-SNVBAGLBSA-N 1 1 269.320 2.875 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000353743222 382622815 /nfs/dbraw/zinc/62/28/15/382622815.db2.gz BPOFHFOQXUYDQP-HIFRSBDPSA-N 1 1 291.395 2.899 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189617767 382630398 /nfs/dbraw/zinc/63/03/98/382630398.db2.gz WTZQTHVNIDFMPR-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189638841 382631544 /nfs/dbraw/zinc/63/15/44/382631544.db2.gz KTVUYHJZIWBAPV-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H](C)C1 ZINC000190407904 382666434 /nfs/dbraw/zinc/66/64/34/382666434.db2.gz TUUJPGQYBFOSCV-LLVKDONJSA-N 1 1 296.392 2.788 20 5 CFBDMO C[C@H]1CSCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000190421852 382667219 /nfs/dbraw/zinc/66/72/19/382667219.db2.gz DGQYORVSVQMMGV-GFCCVEGCSA-N 1 1 296.392 2.659 20 5 CFBDMO COc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190456180 382669030 /nfs/dbraw/zinc/66/90/30/382669030.db2.gz WOHISRQULIJSES-NSHDSACASA-N 1 1 296.392 2.788 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193591291 382721256 /nfs/dbraw/zinc/72/12/56/382721256.db2.gz JMZWDKVWBBOIKW-SNVBAGLBSA-N 1 1 279.296 2.735 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193591291 382721257 /nfs/dbraw/zinc/72/12/57/382721257.db2.gz JMZWDKVWBBOIKW-SNVBAGLBSA-N 1 1 279.296 2.735 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193737085 382723765 /nfs/dbraw/zinc/72/37/65/382723765.db2.gz QWWQOBYJPLGEGV-SNVBAGLBSA-N 1 1 281.312 2.981 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510642 382768949 /nfs/dbraw/zinc/76/89/49/382768949.db2.gz VYUAEDDOEACNJI-NXEZZACHSA-N 1 1 284.385 2.584 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000221257857 382798360 /nfs/dbraw/zinc/79/83/60/382798360.db2.gz UWESZBVEQKYOSC-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000575932542 382804365 /nfs/dbraw/zinc/80/43/65/382804365.db2.gz NBXSLIDYIOQVKX-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[N@@H+](CCNc1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000227347685 382836362 /nfs/dbraw/zinc/83/63/62/382836362.db2.gz VCNXZQQCADPLSM-UHFFFAOYSA-N 1 1 263.341 2.799 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000230236343 382858044 /nfs/dbraw/zinc/85/80/44/382858044.db2.gz QACIZNYBUPCENM-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000230236343 382858046 /nfs/dbraw/zinc/85/80/46/382858046.db2.gz QACIZNYBUPCENM-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1cnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000230686317 382862055 /nfs/dbraw/zinc/86/20/55/382862055.db2.gz NYQIQABZBJENNU-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865751 382873745 /nfs/dbraw/zinc/87/37/45/382873745.db2.gz MNTYJYFEXRQMJQ-SWLSCSKDSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865751 382873747 /nfs/dbraw/zinc/87/37/47/382873747.db2.gz MNTYJYFEXRQMJQ-SWLSCSKDSA-N 1 1 291.395 2.900 20 5 CFBDMO Cc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338360395 383002603 /nfs/dbraw/zinc/00/26/03/383002603.db2.gz NPIVRVKVVBBFSF-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245550976 383006351 /nfs/dbraw/zinc/00/63/51/383006351.db2.gz PEDSAHCEQIOEDB-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245550976 383006353 /nfs/dbraw/zinc/00/63/53/383006353.db2.gz PEDSAHCEQIOEDB-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO CC(C)COCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370756 383007669 /nfs/dbraw/zinc/00/76/69/383007669.db2.gz BRXAYAPPKWHWNK-UHFFFAOYSA-N 1 1 280.368 2.742 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000245866259 383042372 /nfs/dbraw/zinc/04/23/72/383042372.db2.gz QENRXORLGOCCAA-IAGOWNOFSA-N 1 1 298.342 2.685 20 5 CFBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246653279 383089493 /nfs/dbraw/zinc/08/94/93/383089493.db2.gz IQTHMAXBRRMRQN-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246653279 383089496 /nfs/dbraw/zinc/08/94/96/383089496.db2.gz IQTHMAXBRRMRQN-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338956858 383100031 /nfs/dbraw/zinc/10/00/31/383100031.db2.gz BOLOHFNPFLHJEJ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000247156040 383148217 /nfs/dbraw/zinc/14/82/17/383148217.db2.gz XMLKUEXZBUIOMF-SMDDNHRTSA-N 1 1 298.770 2.841 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157114 383148754 /nfs/dbraw/zinc/14/87/54/383148754.db2.gz UAJUJUSFPDRRTM-KGLIPLIRSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449419092 383279296 /nfs/dbraw/zinc/27/92/96/383279296.db2.gz GVIUQDZZKQULHS-IPKOWEFYSA-N 1 1 290.363 2.701 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449489745 383327224 /nfs/dbraw/zinc/32/72/24/383327224.db2.gz AWKAIBYDCQHMPB-SWLSCSKDSA-N 1 1 278.352 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252673150 383425367 /nfs/dbraw/zinc/42/53/67/383425367.db2.gz GTGYSTNKGVWSMT-JSGCOSHPSA-N 1 1 261.325 2.634 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252895495 383440270 /nfs/dbraw/zinc/44/02/70/383440270.db2.gz ZCXKVYGJPNEMIY-OLZOCXBDSA-N 1 1 275.352 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@H]1O)CC2 ZINC000569007235 383460913 /nfs/dbraw/zinc/46/09/13/383460913.db2.gz FMHAPKNEZJDEPE-XJKSGUPXSA-N 1 1 290.363 2.504 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ncccc2O)C2CC2)c1 ZINC000569154044 383472686 /nfs/dbraw/zinc/47/26/86/383472686.db2.gz CVUNYFLLRYCCFB-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ncccc2O)C2CC2)c1 ZINC000569154044 383472691 /nfs/dbraw/zinc/47/26/91/383472691.db2.gz CVUNYFLLRYCCFB-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccno3)C2)cc1 ZINC000569195840 383475819 /nfs/dbraw/zinc/47/58/19/383475819.db2.gz WRRNZGMFAVXGBG-CYBMUJFWSA-N 1 1 287.319 2.962 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000341120577 383572729 /nfs/dbraw/zinc/57/27/29/383572729.db2.gz MGPKJOKZYNGTDM-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000570463980 383607389 /nfs/dbraw/zinc/60/73/89/383607389.db2.gz IYVYGIVOTXOALR-AWEZNQCLSA-N 1 1 291.395 2.805 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000450949899 383564643 /nfs/dbraw/zinc/56/46/43/383564643.db2.gz LLBGKQUUBORUMA-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO COC[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544896 383641136 /nfs/dbraw/zinc/64/11/36/383641136.db2.gz GDQAKYSVDWCZSD-GXTWGEPZSA-N 1 1 278.352 2.809 20 5 CFBDMO COc1ccc(C[N@@H+](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000489422692 383617349 /nfs/dbraw/zinc/61/73/49/383617349.db2.gz GLFGNWDJBYMTTQ-ZDUSSCGKSA-N 1 1 264.325 2.834 20 5 CFBDMO CC[N@@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735522 383812983 /nfs/dbraw/zinc/81/29/83/383812983.db2.gz XYPFRQNKEMJDRQ-OAHLLOKOSA-N 1 1 291.395 2.902 20 5 CFBDMO CCN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735522 383812987 /nfs/dbraw/zinc/81/29/87/383812987.db2.gz XYPFRQNKEMJDRQ-OAHLLOKOSA-N 1 1 291.395 2.902 20 5 CFBDMO CCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000453254387 383818031 /nfs/dbraw/zinc/81/80/31/383818031.db2.gz KREZDEOWSLHWBR-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000453254387 383818032 /nfs/dbraw/zinc/81/80/32/383818032.db2.gz KREZDEOWSLHWBR-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000453201304 383800811 /nfs/dbraw/zinc/80/08/11/383800811.db2.gz BRDFDVAFSNTQTF-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000531381597 383858445 /nfs/dbraw/zinc/85/84/45/383858445.db2.gz QQKKNRZMWQFNRY-MGPQQGTHSA-N 1 1 292.383 2.692 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272286 383881061 /nfs/dbraw/zinc/88/10/61/383881061.db2.gz XNOBETZOSLLWBA-CABCVRRESA-N 1 1 278.352 2.720 20 5 CFBDMO CCCC[N@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577334 383956153 /nfs/dbraw/zinc/95/61/53/383956153.db2.gz SPFGUGOYDXUCRD-OAHLLOKOSA-N 1 1 291.395 2.904 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577334 383956166 /nfs/dbraw/zinc/95/61/66/383956166.db2.gz SPFGUGOYDXUCRD-OAHLLOKOSA-N 1 1 291.395 2.904 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000574234751 384065597 /nfs/dbraw/zinc/06/55/97/384065597.db2.gz XSJIQPNDZHUMEI-IVMMDQJWSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](C)C1 ZINC000266780840 384237477 /nfs/dbraw/zinc/23/74/77/384237477.db2.gz ZUPXWOVHMCAFMJ-NEPJUHHUSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266891834 384255671 /nfs/dbraw/zinc/25/56/71/384255671.db2.gz FFKDTUJYHPFZSF-ZDUSSCGKSA-N 1 1 288.351 2.793 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267026461 384282598 /nfs/dbraw/zinc/28/25/98/384282598.db2.gz LMNOYMSXHNTYHR-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063481 384291084 /nfs/dbraw/zinc/29/10/84/384291084.db2.gz UGERMZIOVZDIHQ-GJZGRUSLSA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000277542834 384332425 /nfs/dbraw/zinc/33/24/25/384332425.db2.gz WZNWNCQTXWJBNL-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000362452073 285110576 /nfs/dbraw/zinc/11/05/76/285110576.db2.gz MXTYFZWOKSQEOZ-HOCLYGCPSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451652812 285111179 /nfs/dbraw/zinc/11/11/79/285111179.db2.gz ZOOGJBTVUCWPGM-HNNXBMFYSA-N 1 1 292.404 2.965 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267813522 384471074 /nfs/dbraw/zinc/47/10/74/384471074.db2.gz NJDNVJGZNJZVJE-GRYCIOLGSA-N 1 1 291.351 2.510 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000278207428 384499129 /nfs/dbraw/zinc/49/91/29/384499129.db2.gz JTLSOLTYSCRUJE-AOOOYVTPSA-N 1 1 279.296 2.591 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000268025656 384512790 /nfs/dbraw/zinc/51/27/90/384512790.db2.gz IZCRFKGOISSLIR-CHWSQXEVSA-N 1 1 277.368 2.822 20 5 CFBDMO CC(C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278269713 384513289 /nfs/dbraw/zinc/51/32/89/384513289.db2.gz VMEWGPWHIOLYPX-UHFFFAOYSA-N 1 1 282.325 2.547 20 5 CFBDMO CC(C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278269713 384513292 /nfs/dbraw/zinc/51/32/92/384513292.db2.gz VMEWGPWHIOLYPX-UHFFFAOYSA-N 1 1 282.325 2.547 20 5 CFBDMO C[C@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000363797941 220320518 /nfs/dbraw/zinc/32/05/18/220320518.db2.gz WKPHSLCPUWQYGI-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279385990 384621727 /nfs/dbraw/zinc/62/17/27/384621727.db2.gz TYBPNRXPJBCYBO-IAQYHMDHSA-N 1 1 276.336 2.594 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279385990 384621732 /nfs/dbraw/zinc/62/17/32/384621732.db2.gz TYBPNRXPJBCYBO-IAQYHMDHSA-N 1 1 276.336 2.594 20 5 CFBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000279389509 384622079 /nfs/dbraw/zinc/62/20/79/384622079.db2.gz UFOQBCRXVGDIJM-AWEZNQCLSA-N 1 1 282.315 2.735 20 5 CFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000279389509 384622083 /nfs/dbraw/zinc/62/20/83/384622083.db2.gz UFOQBCRXVGDIJM-AWEZNQCLSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000301382604 285134264 /nfs/dbraw/zinc/13/42/64/285134264.db2.gz ZKSKQERTIBLIJJ-RCBQFDQVSA-N 1 1 287.363 2.515 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000269636641 384815497 /nfs/dbraw/zinc/81/54/97/384815497.db2.gz HOPQGRWBFQPSRZ-SWLSCSKDSA-N 1 1 280.368 2.995 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662463 384825125 /nfs/dbraw/zinc/82/51/25/384825125.db2.gz KPEPEULEBSFPLS-RISCZKNCSA-N 1 1 266.341 2.605 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633905 384813756 /nfs/dbraw/zinc/81/37/56/384813756.db2.gz GNPMHJUVHXDUTN-BXUZGUMPSA-N 1 1 290.319 2.914 20 5 CFBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693549 384840114 /nfs/dbraw/zinc/84/01/14/384840114.db2.gz JEMRWFIMAMVENC-HNNXBMFYSA-N 1 1 290.319 2.662 20 5 CFBDMO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000270367092 385074361 /nfs/dbraw/zinc/07/43/61/385074361.db2.gz SRUFXHXMYRQECO-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000270367092 385074374 /nfs/dbraw/zinc/07/43/74/385074374.db2.gz SRUFXHXMYRQECO-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000280824119 385168380 /nfs/dbraw/zinc/16/83/80/385168380.db2.gz NUAOSCKIGNHCCO-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000280824119 385168388 /nfs/dbraw/zinc/16/83/88/385168388.db2.gz NUAOSCKIGNHCCO-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000292524369 285155060 /nfs/dbraw/zinc/15/50/60/285155060.db2.gz PHXUJXHWNVFJLX-LLVKDONJSA-N 1 1 293.754 2.699 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289097285 197234451 /nfs/dbraw/zinc/23/44/51/197234451.db2.gz VABJUFUOJQECIP-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289097285 197234452 /nfs/dbraw/zinc/23/44/52/197234452.db2.gz VABJUFUOJQECIP-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405109 385302219 /nfs/dbraw/zinc/30/22/19/385302219.db2.gz IAYQRAZSMZNIDT-DOMZBBRYSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000282431424 385309937 /nfs/dbraw/zinc/30/99/37/385309937.db2.gz RJIUGQDTUSVCOT-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282347664 385289449 /nfs/dbraw/zinc/28/94/49/385289449.db2.gz PBSAVEYTQFONRQ-IUODEOHRSA-N 1 1 278.352 2.903 20 5 CFBDMO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[N@H+]1C ZINC000282372993 385296430 /nfs/dbraw/zinc/29/64/30/385296430.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 1 1 291.395 2.553 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000271120309 385340700 /nfs/dbraw/zinc/34/07/00/385340700.db2.gz JJQQAJIBJSZXMM-IRJXADNDSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000271120309 385340703 /nfs/dbraw/zinc/34/07/03/385340703.db2.gz JJQQAJIBJSZXMM-IRJXADNDSA-N 1 1 288.347 2.861 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000271996990 385421815 /nfs/dbraw/zinc/42/18/15/385421815.db2.gz GLSADXXVVPSILV-ZDUSSCGKSA-N 1 1 284.381 2.783 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000283161098 385441205 /nfs/dbraw/zinc/44/12/05/385441205.db2.gz OYONCPXQUNSJIM-SWLSCSKDSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000283293987 385453978 /nfs/dbraw/zinc/45/39/78/385453978.db2.gz YCVRJEZRCZNGDU-WCQYABFASA-N 1 1 295.358 2.648 20 5 CFBDMO Cn1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000283068466 385431383 /nfs/dbraw/zinc/43/13/83/385431383.db2.gz QBMZJYPKDLZTFM-UHFFFAOYSA-N 1 1 273.336 2.608 20 5 CFBDMO CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285584793 385556171 /nfs/dbraw/zinc/55/61/71/385556171.db2.gz IICZMMKWGFXXNM-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285584793 385556174 /nfs/dbraw/zinc/55/61/74/385556174.db2.gz IICZMMKWGFXXNM-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@H]1O ZINC000272537179 385560468 /nfs/dbraw/zinc/56/04/68/385560468.db2.gz NDTFEWJQFVZWEU-IUODEOHRSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@@H]1O ZINC000272537174 385560758 /nfs/dbraw/zinc/56/07/58/385560758.db2.gz NDTFEWJQFVZWEU-DOMZBBRYSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000286464012 385628072 /nfs/dbraw/zinc/62/80/72/385628072.db2.gz SYEGOKGQKLQHBM-PBWFPOADSA-N 1 1 289.379 2.965 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281659757 195326169 /nfs/dbraw/zinc/32/61/69/195326169.db2.gz KSBSPGYOVCWPRY-GXSJLCMTSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281659757 195326171 /nfs/dbraw/zinc/32/61/71/195326171.db2.gz KSBSPGYOVCWPRY-GXSJLCMTSA-N 1 1 270.354 2.656 20 5 CFBDMO COc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191821532 130312184 /nfs/dbraw/zinc/31/21/84/130312184.db2.gz RDZSOTCNAPHEHZ-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000264063160 131388606 /nfs/dbraw/zinc/38/86/06/131388606.db2.gz JREWWKFHZLEDOB-NSHDSACASA-N 1 1 293.367 2.940 20 5 CFBDMO Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000268455232 132011825 /nfs/dbraw/zinc/01/18/25/132011825.db2.gz GPVYLCUBLQSLHQ-LLVKDONJSA-N 1 1 278.356 2.585 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362802 132160039 /nfs/dbraw/zinc/16/00/39/132160039.db2.gz JSVAGEBVIICFBA-KCJUWKMLSA-N 1 1 296.758 2.538 20 5 CFBDMO C[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000222271958 393762920 /nfs/dbraw/zinc/76/29/20/393762920.db2.gz DWCIALXWFQGDQD-JTQLQIEISA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000089511917 393767595 /nfs/dbraw/zinc/76/75/95/393767595.db2.gz COQWTCNKKSKKPL-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO COc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000111047653 393883550 /nfs/dbraw/zinc/88/35/50/393883550.db2.gz FDAKEKOOWZYNLN-GFCCVEGCSA-N 1 1 293.367 2.746 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002758 393912840 /nfs/dbraw/zinc/91/28/40/393912840.db2.gz MDFXCFKZXDBKRZ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002758 393912843 /nfs/dbraw/zinc/91/28/43/393912843.db2.gz MDFXCFKZXDBKRZ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000252649247 393937784 /nfs/dbraw/zinc/93/77/84/393937784.db2.gz RWWISAYIWSOJIN-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO COCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272304252 394027539 /nfs/dbraw/zinc/02/75/39/394027539.db2.gz JLVQLWGJUZVGMM-NSHDSACASA-N 1 1 252.314 2.542 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC(C)(C)C1 ZINC000430205632 393968079 /nfs/dbraw/zinc/96/80/79/393968079.db2.gz UQKMEWGEZBWDDX-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC(C)(C)C1 ZINC000430205632 393968083 /nfs/dbraw/zinc/96/80/83/393968083.db2.gz UQKMEWGEZBWDDX-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211408 393969120 /nfs/dbraw/zinc/96/91/20/393969120.db2.gz JAQSWFSZZXNLNJ-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CSC ZINC000430224228 393970586 /nfs/dbraw/zinc/97/05/86/393970586.db2.gz YKWRFTPQPLVQLD-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000350667170 393979530 /nfs/dbraw/zinc/97/95/30/393979530.db2.gz AWTGDYYMZAYZNF-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125471928 394007847 /nfs/dbraw/zinc/00/78/47/394007847.db2.gz ABNVJQMMRUCJDH-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO CCOCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130073547 394101699 /nfs/dbraw/zinc/10/16/99/394101699.db2.gz QRGNLACQJKHUMP-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278778124 394063691 /nfs/dbraw/zinc/06/36/91/394063691.db2.gz ZFXNWVYNRMYCKR-OAHLLOKOSA-N 1 1 286.335 2.698 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420943517 394133495 /nfs/dbraw/zinc/13/34/95/394133495.db2.gz RCRVWSRHDZLYMX-AGIUHOORSA-N 1 1 278.352 2.606 20 5 CFBDMO C[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000420958431 394140167 /nfs/dbraw/zinc/14/01/67/394140167.db2.gz DSQCCACGDDALPA-TZMCWYRMSA-N 1 1 278.352 2.637 20 5 CFBDMO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047922 394144595 /nfs/dbraw/zinc/14/45/95/394144595.db2.gz OIEAKFWIKYBMJD-LBPRGKRZSA-N 1 1 295.358 2.820 20 5 CFBDMO Cc1cc(N(C)[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360081332 394145408 /nfs/dbraw/zinc/14/54/08/394145408.db2.gz DYXBILBXHJKJRM-NSHDSACASA-N 1 1 281.331 2.573 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000360069927 394145767 /nfs/dbraw/zinc/14/57/67/394145767.db2.gz GFAILTJGIWOEIB-LBPRGKRZSA-N 1 1 293.342 2.715 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421001479 394151695 /nfs/dbraw/zinc/15/16/95/394151695.db2.gz WZUQUIILXVDXSL-NSHDSACASA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000421001479 394151697 /nfs/dbraw/zinc/15/16/97/394151697.db2.gz WZUQUIILXVDXSL-NSHDSACASA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(F)c1 ZINC000421006682 394155104 /nfs/dbraw/zinc/15/51/04/394155104.db2.gz BKNBCEBUIGPMFN-GFCCVEGCSA-N 1 1 296.342 2.718 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289689793 394220984 /nfs/dbraw/zinc/22/09/84/394220984.db2.gz IBPZCYFVCLHUJA-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289689793 394220988 /nfs/dbraw/zinc/22/09/88/394220988.db2.gz IBPZCYFVCLHUJA-LSDHHAIUSA-N 1 1 290.363 2.984 20 5 CFBDMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290794752 394234269 /nfs/dbraw/zinc/23/42/69/394234269.db2.gz OXASNNVTGHYDAU-CMPLNLGQSA-N 1 1 291.351 2.641 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105598 394267903 /nfs/dbraw/zinc/26/79/03/394267903.db2.gz UNGBEMAHXUZUDS-CMPLNLGQSA-N 1 1 286.335 2.526 20 5 CFBDMO Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292353411 394272977 /nfs/dbraw/zinc/27/29/77/394272977.db2.gz QWCCDXBHNBAKTD-OAHLLOKOSA-N 1 1 293.342 2.574 20 5 CFBDMO CC(C)[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292477407 394274705 /nfs/dbraw/zinc/27/47/05/394274705.db2.gz AEPATQPLFXSMSA-OAHLLOKOSA-N 1 1 278.352 2.576 20 5 CFBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000292689381 394276275 /nfs/dbraw/zinc/27/62/75/394276275.db2.gz RLIVDVBNMQQUQQ-NEPJUHHUSA-N 1 1 293.342 2.715 20 5 CFBDMO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292780387 394277260 /nfs/dbraw/zinc/27/72/60/394277260.db2.gz LTGXPEACHAFYHU-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292459 394281439 /nfs/dbraw/zinc/28/14/39/394281439.db2.gz ZHBLDEDSDAVPNS-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536034 394292996 /nfs/dbraw/zinc/29/29/96/394292996.db2.gz YXXQFPZEUDVEQK-NHYWBVRUSA-N 1 1 277.368 2.763 20 5 CFBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000494634790 394361288 /nfs/dbraw/zinc/36/12/88/394361288.db2.gz IJZPAGQTWJIQNO-GFCCVEGCSA-N 1 1 292.360 2.788 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)OC ZINC000535850288 394549045 /nfs/dbraw/zinc/54/90/45/394549045.db2.gz QHZQJEPXRAHIIW-UHFFFAOYSA-N 1 1 296.367 2.850 20 5 CFBDMO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000540036191 394641529 /nfs/dbraw/zinc/64/15/29/394641529.db2.gz CIVIMQWFNDDKGY-SMDDNHRTSA-N 1 1 275.352 2.798 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542485745 394704450 /nfs/dbraw/zinc/70/44/50/394704450.db2.gz IGCXNBZXIPKKLR-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000556954041 395027227 /nfs/dbraw/zinc/02/72/27/395027227.db2.gz QAGCFGNQVMVZCW-PMGBHYCQSA-N 1 1 289.379 2.634 20 5 CFBDMO Cc1c([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438203 394974106 /nfs/dbraw/zinc/97/41/06/394974106.db2.gz CKSLUARYJRNDPW-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438203 394974108 /nfs/dbraw/zinc/97/41/08/394974108.db2.gz CKSLUARYJRNDPW-JSGCOSHPSA-N 1 1 291.395 2.896 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000119547258 397600813 /nfs/dbraw/zinc/60/08/13/397600813.db2.gz PEZGPRAUXHLDFX-HZMBPMFUSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000119547258 397600815 /nfs/dbraw/zinc/60/08/15/397600815.db2.gz PEZGPRAUXHLDFX-HZMBPMFUSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000119547415 397600922 /nfs/dbraw/zinc/60/09/22/397600922.db2.gz PEZGPRAUXHLDFX-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000119547415 397600925 /nfs/dbraw/zinc/60/09/25/397600925.db2.gz PEZGPRAUXHLDFX-YGRLFVJLSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279776743 292295370 /nfs/dbraw/zinc/29/53/70/292295370.db2.gz NKRYUNBABXBJIN-BXUZGUMPSA-N 1 1 278.352 2.667 20 5 CFBDMO CCOc1ccc([C@H](C)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000348281472 154394243 /nfs/dbraw/zinc/39/42/43/154394243.db2.gz AKRWMQWXYCKSMC-NEPJUHHUSA-N 1 1 295.383 2.594 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375305615 157224523 /nfs/dbraw/zinc/22/45/23/157224523.db2.gz XIWKNMAQYHKMBI-HNNXBMFYSA-N 1 1 276.336 2.597 20 5 CFBDMO CN(Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375744186 157277411 /nfs/dbraw/zinc/27/74/11/157277411.db2.gz QRHORDIFDVJYKC-YIONKMFJSA-N 1 1 289.379 2.652 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000376008599 157313394 /nfs/dbraw/zinc/31/33/94/157313394.db2.gz SQLPWWYRRZLMDI-UKRRQHHQSA-N 1 1 276.336 2.657 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CC2)C1 ZINC000408175138 157383762 /nfs/dbraw/zinc/38/37/62/157383762.db2.gz QLFIDMRKXNJITJ-LBPRGKRZSA-N 1 1 276.336 2.768 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000408309063 157392056 /nfs/dbraw/zinc/39/20/56/157392056.db2.gz LDILFEQVRMWBAO-GFCCVEGCSA-N 1 1 294.399 2.977 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430343 162042237 /nfs/dbraw/zinc/04/22/37/162042237.db2.gz JROLOXXITBNZMC-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccccc2)cs1 ZINC000344454606 162045730 /nfs/dbraw/zinc/04/57/30/162045730.db2.gz DLSNMLKCVAERRS-ZDUSSCGKSA-N 1 1 292.360 2.870 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000346163281 162334881 /nfs/dbraw/zinc/33/48/81/162334881.db2.gz LSZAJWMPOSBXPU-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180484 162341608 /nfs/dbraw/zinc/34/16/08/162341608.db2.gz BYWNFCJJUOFUES-KBPBESRZSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180484 162341612 /nfs/dbraw/zinc/34/16/12/162341612.db2.gz BYWNFCJJUOFUES-KBPBESRZSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180484 162341615 /nfs/dbraw/zinc/34/16/15/162341615.db2.gz BYWNFCJJUOFUES-KBPBESRZSA-N 1 1 291.395 2.552 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000349958279 163042694 /nfs/dbraw/zinc/04/26/94/163042694.db2.gz AWWOCPXNILTMSF-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000349958279 163042697 /nfs/dbraw/zinc/04/26/97/163042697.db2.gz AWWOCPXNILTMSF-CYBMUJFWSA-N 1 1 252.289 2.837 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000352692662 163223401 /nfs/dbraw/zinc/22/34/01/163223401.db2.gz IDXYNXNGEAEEMH-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352689930 163223436 /nfs/dbraw/zinc/22/34/36/163223436.db2.gz DUPHLWYCKFJWRB-CHWSQXEVSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352689930 163223437 /nfs/dbraw/zinc/22/34/37/163223437.db2.gz DUPHLWYCKFJWRB-CHWSQXEVSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353026315 163291067 /nfs/dbraw/zinc/29/10/67/163291067.db2.gz USJPXUDMZILEEY-LLVKDONJSA-N 1 1 286.278 2.656 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353032089 163293534 /nfs/dbraw/zinc/29/35/34/163293534.db2.gz WUVNBLLUJHOOEX-SNVBAGLBSA-N 1 1 286.278 2.656 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353091790 163305020 /nfs/dbraw/zinc/30/50/20/163305020.db2.gz IGCTUILLQQHHAG-LBPRGKRZSA-N 1 1 297.374 2.944 20 5 CFBDMO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353327424 163346430 /nfs/dbraw/zinc/34/64/30/163346430.db2.gz BWBCVNHWESWRDH-HNNXBMFYSA-N 1 1 289.379 2.572 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000021504365 171307195 /nfs/dbraw/zinc/30/71/95/171307195.db2.gz FRPOMFVKZCJKST-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000284944074 196162286 /nfs/dbraw/zinc/16/22/86/196162286.db2.gz WSSWLZUPOLDUOJ-CABCVRRESA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000035258962 172090954 /nfs/dbraw/zinc/09/09/54/172090954.db2.gz UYIVMCWLYSPSOQ-CQSZACIVSA-N 1 1 291.395 2.867 20 5 CFBDMO C[N@@H+](CCc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000285329854 196252390 /nfs/dbraw/zinc/25/23/90/196252390.db2.gz NUQFWQXAQQBFES-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO COc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000035694777 172363606 /nfs/dbraw/zinc/36/36/06/172363606.db2.gz NOCZWYLHMOIGAD-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CN(Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285393702 196271533 /nfs/dbraw/zinc/27/15/33/196271533.db2.gz DSVNDMWNAOPFQB-MZBDJJRSSA-N 1 1 289.379 2.652 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000037371698 173160609 /nfs/dbraw/zinc/16/06/09/173160609.db2.gz NJNABNQZIPKWGE-ZDUSSCGKSA-N 1 1 263.341 2.799 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038088197 174100829 /nfs/dbraw/zinc/10/08/29/174100829.db2.gz CSPJRTPPDMGKDS-NWDGAFQWSA-N 1 1 265.357 2.504 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040503287 174300031 /nfs/dbraw/zinc/30/00/31/174300031.db2.gz MHQUNWQICCZMLF-ZDUSSCGKSA-N 1 1 263.341 2.799 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000040667071 174366588 /nfs/dbraw/zinc/36/65/88/174366588.db2.gz WZDIWKKBNKZQDB-UHFFFAOYSA-N 1 1 286.287 2.613 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534300 175197824 /nfs/dbraw/zinc/19/78/24/175197824.db2.gz UKAZFNOYKOWBAQ-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000044534300 175197828 /nfs/dbraw/zinc/19/78/28/175197828.db2.gz UKAZFNOYKOWBAQ-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000044986062 175284379 /nfs/dbraw/zinc/28/43/79/175284379.db2.gz MIMXUTJATUNABR-JTQLQIEISA-N 1 1 261.281 2.742 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118176 263085964 /nfs/dbraw/zinc/08/59/64/263085964.db2.gz NQQNZXXJWOIOKE-LBPRGKRZSA-N 1 1 294.399 2.560 20 5 CFBDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118176 263085965 /nfs/dbraw/zinc/08/59/65/263085965.db2.gz NQQNZXXJWOIOKE-LBPRGKRZSA-N 1 1 294.399 2.560 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000518972128 265264327 /nfs/dbraw/zinc/26/43/27/265264327.db2.gz NMWQUTMZRXEMJG-LNSITVRQSA-N 1 1 276.336 2.767 20 5 CFBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352545253 274065315 /nfs/dbraw/zinc/06/53/15/274065315.db2.gz HUANZGIUTHYBKQ-DGCLKSJQSA-N 1 1 264.325 2.685 20 5 CFBDMO COc1cc(Cn2c[nH+]c(C)c2C)c([N+](=O)[O-])cc1F ZINC000183866563 274095448 /nfs/dbraw/zinc/09/54/48/274095448.db2.gz FGWKFGCVDLNXOA-UHFFFAOYSA-N 1 1 279.271 2.604 20 5 CFBDMO C[C@H]([NH3+])CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423222225 274502991 /nfs/dbraw/zinc/50/29/91/274502991.db2.gz AHOWHYURJJSLRZ-IINYFYTJSA-N 1 1 277.368 2.644 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000148564409 275033468 /nfs/dbraw/zinc/03/34/68/275033468.db2.gz ALWDUXLTXNAYHR-GHMZBOCLSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000227888935 275033711 /nfs/dbraw/zinc/03/37/11/275033711.db2.gz OUUPNBBYGSBBMQ-QMMMGPOBSA-N 1 1 283.278 2.522 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000227888935 275033712 /nfs/dbraw/zinc/03/37/12/275033712.db2.gz OUUPNBBYGSBBMQ-QMMMGPOBSA-N 1 1 283.278 2.522 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266926066 275039821 /nfs/dbraw/zinc/03/98/21/275039821.db2.gz NKMYOOMAGNXWAY-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342068645 275039834 /nfs/dbraw/zinc/03/98/34/275039834.db2.gz TYGVDOUZQGJVTQ-AWEZNQCLSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000267282395 276073554 /nfs/dbraw/zinc/07/35/54/276073554.db2.gz VOXLNMDWTAFMFL-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO CC[N@H+](C)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336313 276306002 /nfs/dbraw/zinc/30/60/02/276306002.db2.gz HNDXKFLGMVELSF-MRXNPFEDSA-N 1 1 291.395 2.904 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336313 276306004 /nfs/dbraw/zinc/30/60/04/276306004.db2.gz HNDXKFLGMVELSF-MRXNPFEDSA-N 1 1 291.395 2.904 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000374982378 277042502 /nfs/dbraw/zinc/04/25/02/277042502.db2.gz BHOCHPHXRLGZAM-UHFFFAOYSA-N 1 1 293.342 2.799 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286316197 277069884 /nfs/dbraw/zinc/06/98/84/277069884.db2.gz UJMPNCBNNMFHSL-YPMHNXCESA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000364302345 277147150 /nfs/dbraw/zinc/14/71/50/277147150.db2.gz IKBVQKKDACGSPH-QMTHXVAHSA-N 1 1 295.770 2.779 20 5 CFBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245520612 277337448 /nfs/dbraw/zinc/33/74/48/277337448.db2.gz JVJCWSFQLQJTQW-RYUDHWBXSA-N 1 1 294.351 2.705 20 5 CFBDMO CC(C)C[N@H+](CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000348932099 277380100 /nfs/dbraw/zinc/38/01/00/277380100.db2.gz DDLUNPHTBMQJPJ-UHFFFAOYSA-N 1 1 279.384 2.614 20 5 CFBDMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000348932099 277380101 /nfs/dbraw/zinc/38/01/01/277380101.db2.gz DDLUNPHTBMQJPJ-UHFFFAOYSA-N 1 1 279.384 2.614 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357041216 279082984 /nfs/dbraw/zinc/08/29/84/279082984.db2.gz QLBDXAKZVQQNIJ-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000279013208 279348766 /nfs/dbraw/zinc/34/87/66/279348766.db2.gz HCELCZHBYFTJKG-IAQYHMDHSA-N 1 1 291.395 2.857 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000305672122 281154359 /nfs/dbraw/zinc/15/43/59/281154359.db2.gz XMNZKKZYUMIGMW-OBJOEFQTSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1ccnc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000374342207 281190795 /nfs/dbraw/zinc/19/07/95/281190795.db2.gz SPAOXOAGIRDTFW-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccnc(N[C@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000374342207 281190797 /nfs/dbraw/zinc/19/07/97/281190797.db2.gz SPAOXOAGIRDTFW-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCO)CC2)c(Cl)c1 ZINC000400956006 290025115 /nfs/dbraw/zinc/02/51/15/290025115.db2.gz DSPZCFVLYKRHJK-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO COc1cc(C[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000563707339 290169084 /nfs/dbraw/zinc/16/90/84/290169084.db2.gz LXHNQBFXIIOUMM-UHFFFAOYSA-N 1 1 270.304 2.973 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000563870191 290180335 /nfs/dbraw/zinc/18/03/35/290180335.db2.gz BTDKBURESHEBKW-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000564311135 290201988 /nfs/dbraw/zinc/20/19/88/290201988.db2.gz MMMJPPXGYQLMOB-HMDMIVDLSA-N 1 1 276.336 2.717 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000408244533 290268035 /nfs/dbraw/zinc/26/80/35/290268035.db2.gz CLEHZOZDRUZFIS-IUODEOHRSA-N 1 1 276.336 2.768 20 5 CFBDMO Cc1c(-c2noc(C[N@@H+](C)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000351152869 324330544 /nfs/dbraw/zinc/33/05/44/324330544.db2.gz XHHOBPALQOGAHH-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO Cc1c(-c2noc(C[N@H+](C)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000351152869 324330547 /nfs/dbraw/zinc/33/05/47/324330547.db2.gz XHHOBPALQOGAHH-UHFFFAOYSA-N 1 1 290.323 2.793 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111048 519625657 /nfs/dbraw/zinc/62/56/57/519625657.db2.gz JIXURDSLGGLFLO-LBPRGKRZSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111048 519625660 /nfs/dbraw/zinc/62/56/60/519625660.db2.gz JIXURDSLGGLFLO-LBPRGKRZSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111049 519625668 /nfs/dbraw/zinc/62/56/68/519625668.db2.gz JIXURDSLGGLFLO-GFCCVEGCSA-N 1 1 265.357 2.586 20 5 CFBDMO CC(C)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111049 519625671 /nfs/dbraw/zinc/62/56/71/519625671.db2.gz JIXURDSLGGLFLO-GFCCVEGCSA-N 1 1 265.357 2.586 20 5 CFBDMO CCC(CC)[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000361347335 521562190 /nfs/dbraw/zinc/56/21/90/521562190.db2.gz UOWPOFSBXJMQAL-UHFFFAOYSA-N 1 1 282.388 2.975 20 5 CFBDMO C[C@H]1COCC[N@@H+]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000413004873 534029121 /nfs/dbraw/zinc/02/91/21/534029121.db2.gz YBISHPBGQXBYRD-LBPRGKRZSA-N 1 1 296.392 2.549 20 5 CFBDMO C[C@H]1COCC[N@H+]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000413004873 534029126 /nfs/dbraw/zinc/02/91/26/534029126.db2.gz YBISHPBGQXBYRD-LBPRGKRZSA-N 1 1 296.392 2.549 20 5 CFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000413052496 534099852 /nfs/dbraw/zinc/09/98/52/534099852.db2.gz HSHZLAKIKWEKQE-QWRGUYRKSA-N 1 1 296.346 2.804 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245432190 520256085 /nfs/dbraw/zinc/25/60/85/520256085.db2.gz BDEWQVPNXUJUIU-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070015547 521150674 /nfs/dbraw/zinc/15/06/74/521150674.db2.gz JNWNFGKDUVBXAB-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171681988 521681748 /nfs/dbraw/zinc/68/17/48/521681748.db2.gz IGBHITMSMSCHAB-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000192660361 522977282 /nfs/dbraw/zinc/97/72/82/522977282.db2.gz LYWYISXQYGDWEW-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000172020612 523598833 /nfs/dbraw/zinc/59/88/33/523598833.db2.gz QKRQXHLIBQWKSI-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000172020612 523598839 /nfs/dbraw/zinc/59/88/39/523598839.db2.gz QKRQXHLIBQWKSI-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000088760229 523821324 /nfs/dbraw/zinc/82/13/24/523821324.db2.gz LWUVQZNXWVJGGQ-UHFFFAOYSA-N 1 1 286.335 2.910 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000220302370 523922728 /nfs/dbraw/zinc/92/27/28/523922728.db2.gz YKCZCJPKPQOMBC-JTQLQIEISA-N 1 1 299.346 2.885 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170915605 523922996 /nfs/dbraw/zinc/92/29/96/523922996.db2.gz WLAOMRBJIPJPQK-NSHDSACASA-N 1 1 252.314 2.704 20 5 CFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000068913204 524506844 /nfs/dbraw/zinc/50/68/44/524506844.db2.gz CGJVKNSJDWQIPN-SECBINFHSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1csc([N+](=O)[O-])c1 ZINC000360961047 524946084 /nfs/dbraw/zinc/94/60/84/524946084.db2.gz NNCLBPRHCVPRHY-QMMMGPOBSA-N 1 1 267.310 2.527 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173492985 524954776 /nfs/dbraw/zinc/95/47/76/524954776.db2.gz NZFJUCVOPVEUMX-GFCCVEGCSA-N 1 1 294.351 2.714 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000174258872 524955429 /nfs/dbraw/zinc/95/54/29/524955429.db2.gz RKOXGXNSWPIKBT-UHFFFAOYSA-N 1 1 294.351 2.714 20 5 CFBDMO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306787 525404337 /nfs/dbraw/zinc/40/43/37/525404337.db2.gz FNDHIPITEZMHDU-XHDPSFHLSA-N 1 1 277.368 2.586 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000338646559 525451122 /nfs/dbraw/zinc/45/11/22/525451122.db2.gz IGMIZSFNTJTLQN-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000049553664 525932076 /nfs/dbraw/zinc/93/20/76/525932076.db2.gz STSSAUKYOCBMDB-STQMWFEESA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000182596872 526088034 /nfs/dbraw/zinc/08/80/34/526088034.db2.gz ILZIPQRKIPEZQN-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000182596872 526088041 /nfs/dbraw/zinc/08/80/41/526088041.db2.gz ILZIPQRKIPEZQN-GFCCVEGCSA-N 1 1 288.351 2.830 20 5 CFBDMO CC(C)(O)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000426778778 527340893 /nfs/dbraw/zinc/34/08/93/527340893.db2.gz ATHNZKOEXKKXFN-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000426778778 527340897 /nfs/dbraw/zinc/34/08/97/527340897.db2.gz ATHNZKOEXKKXFN-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000050105179 527348240 /nfs/dbraw/zinc/34/82/40/527348240.db2.gz LEJJJWFEXQRIIT-GFCCVEGCSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000360537094 527386420 /nfs/dbraw/zinc/38/64/20/527386420.db2.gz OHWHKAVXWPGLHG-CABCVRRESA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000360537097 527387005 /nfs/dbraw/zinc/38/70/05/527387005.db2.gz OHWHKAVXWPGLHG-HUUCEWRRSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000174823598 527413744 /nfs/dbraw/zinc/41/37/44/527413744.db2.gz RAQMEBFEXUYKHN-HNNXBMFYSA-N 1 1 292.383 2.836 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000425989120 527528425 /nfs/dbraw/zinc/52/84/25/527528425.db2.gz JDSIVZRRRLRQDS-SIRQDLBWSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCOC1 ZINC000106885755 528210205 /nfs/dbraw/zinc/21/02/05/528210205.db2.gz PSQNTKLXHFIBRE-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106885755 528210208 /nfs/dbraw/zinc/21/02/08/528210208.db2.gz PSQNTKLXHFIBRE-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO CCC[C@H]([NH2+][C@@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283827 528235910 /nfs/dbraw/zinc/23/59/10/528235910.db2.gz WJCLEXUBNHUYJE-GJZGRUSLSA-N 1 1 277.368 2.763 20 5 CFBDMO CC(C)[N@@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000264017596 535053342 /nfs/dbraw/zinc/05/33/42/535053342.db2.gz VFTBNRGLMHZMQO-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000728563353 574101108 /nfs/dbraw/zinc/10/11/08/574101108.db2.gz SDWTYYDFPPPFGP-AWEZNQCLSA-N 1 1 286.335 2.776 20 5 CFBDMO CC(C)C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000746056154 574132334 /nfs/dbraw/zinc/13/23/34/574132334.db2.gz VOXUPBYWLXHLDA-UHFFFAOYSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860571 574270250 /nfs/dbraw/zinc/27/02/50/574270250.db2.gz QTKSPDOYVIWOHH-QWRGUYRKSA-N 1 1 274.324 2.632 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756902198 574272101 /nfs/dbraw/zinc/27/21/01/574272101.db2.gz QVYHSHYUIZPHLB-SMDDNHRTSA-N 1 1 294.326 2.735 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881425 574272355 /nfs/dbraw/zinc/27/23/55/574272355.db2.gz BAAXAGXFLQERFM-ZJUUUORDSA-N 1 1 252.289 2.964 20 5 CFBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741149688 574281936 /nfs/dbraw/zinc/28/19/36/574281936.db2.gz TWTJVXRSESWOKQ-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741149688 574281937 /nfs/dbraw/zinc/28/19/37/574281937.db2.gz TWTJVXRSESWOKQ-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749939565 574316673 /nfs/dbraw/zinc/31/66/73/574316673.db2.gz ACNBJLQAWJCELA-LLVKDONJSA-N 1 1 291.355 2.582 20 5 CFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074348 574323285 /nfs/dbraw/zinc/32/32/85/574323285.db2.gz WGZWGWXGBQIRSO-NJZAAPMLSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892069925 617937620 /nfs/dbraw/zinc/93/76/20/617937620.db2.gz QIAAATZTVDZIKY-MNOVXSKESA-N 1 1 294.351 2.929 20 5 CFBDMO C[C@H]1CSCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000934303330 617993540 /nfs/dbraw/zinc/99/35/40/617993540.db2.gz LPXINFJWLXIRSL-VIFPVBQESA-N 1 1 272.395 2.984 20 5 CFBDMO C[C@H]1CSCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000934303330 617993543 /nfs/dbraw/zinc/99/35/43/617993543.db2.gz LPXINFJWLXIRSL-VIFPVBQESA-N 1 1 272.395 2.984 20 5 CFBDMO Cc1c(C[N@@H+]2CCOC[C@H]2CC2CC2)cccc1[N+](=O)[O-] ZINC000933214121 618170685 /nfs/dbraw/zinc/17/06/85/618170685.db2.gz VBUKRBAGIGIHMU-OAHLLOKOSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CCOC[C@H]2CC2CC2)cccc1[N+](=O)[O-] ZINC000933214121 618170687 /nfs/dbraw/zinc/17/06/87/618170687.db2.gz VBUKRBAGIGIHMU-OAHLLOKOSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933377572 618215158 /nfs/dbraw/zinc/21/51/58/618215158.db2.gz KWWIKLBVDNKLOX-CQSZACIVSA-N 1 1 294.326 2.925 20 5 CFBDMO Cc1nn(C[N@@H+](CC2CC2)CC2CCC2)cc1[N+](=O)[O-] ZINC000794712759 618445021 /nfs/dbraw/zinc/44/50/21/618445021.db2.gz XSWWWQUPMUWCLS-UHFFFAOYSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000311815977 618723938 /nfs/dbraw/zinc/72/39/38/618723938.db2.gz WFAQHYMCKYRYSG-UHFFFAOYSA-N 1 1 280.715 2.865 20 5 CFBDMO CC(C)C[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697363 618911075 /nfs/dbraw/zinc/91/10/75/618911075.db2.gz COGFXWKYONNTBH-NSHDSACASA-N 1 1 276.296 2.691 20 5 CFBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931391586 618960139 /nfs/dbraw/zinc/96/01/39/618960139.db2.gz UCDKTDGIHXTUSN-BETUJISGSA-N 1 1 295.770 2.527 20 5 CFBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055861 619316592 /nfs/dbraw/zinc/31/65/92/619316592.db2.gz NQZCZUHRISYCPJ-RYUDHWBXSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000894656442 619437520 /nfs/dbraw/zinc/43/75/20/619437520.db2.gz BNUPRHCXHCUNBV-NSHDSACASA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895738086 619597764 /nfs/dbraw/zinc/59/77/64/619597764.db2.gz SWVADRWOLMYHLN-HZMBPMFUSA-N 1 1 286.335 2.648 20 5 CFBDMO COc1c(O)ccc(C[NH+]2CCC(C)(F)CC2)c1[N+](=O)[O-] ZINC000895778126 619604881 /nfs/dbraw/zinc/60/48/81/619604881.db2.gz RZBSGBPRIXSHQR-UHFFFAOYSA-N 1 1 298.314 2.633 20 5 CFBDMO Cc1ccc(NCCNc2ncc(C)cc2[N+](=O)[O-])[nH+]c1 ZINC000896455396 619741422 /nfs/dbraw/zinc/74/14/22/619741422.db2.gz GFVDBQOTZNAVCA-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO Cc1[nH]ncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469584 620178377 /nfs/dbraw/zinc/17/83/77/620178377.db2.gz MYCBXQQOSIVZAB-JTQLQIEISA-N 1 1 274.324 2.520 20 5 CFBDMO CC(C)[N@@H+](C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054112514 620218645 /nfs/dbraw/zinc/21/86/45/620218645.db2.gz CZSAFKUFJIRFFO-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccoc3)C2)cc1 ZINC000898162650 620341216 /nfs/dbraw/zinc/34/12/16/620341216.db2.gz SNVVOHITFDWRTH-UHFFFAOYSA-N 1 1 272.304 2.862 20 5 CFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565055 625418021 /nfs/dbraw/zinc/41/80/21/625418021.db2.gz NGIKUIUUUAWWNS-RISCZKNCSA-N 1 1 278.352 2.891 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923008 621474562 /nfs/dbraw/zinc/47/45/62/621474562.db2.gz JGKZCNOAITYNGH-UHFFFAOYSA-N 1 1 297.358 2.530 20 5 CFBDMO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000904186962 621538946 /nfs/dbraw/zinc/53/89/46/621538946.db2.gz DQRJGLPSPQOBSA-AWEZNQCLSA-N 1 1 291.351 2.715 20 5 CFBDMO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000832769191 625510254 /nfs/dbraw/zinc/51/02/54/625510254.db2.gz ZFLXGSQJLHULEX-GXTWGEPZSA-N 1 1 294.326 2.591 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000832769191 625510257 /nfs/dbraw/zinc/51/02/57/625510257.db2.gz ZFLXGSQJLHULEX-GXTWGEPZSA-N 1 1 294.326 2.591 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1OCC[C@@H]1CCCC[N@H+]1C ZINC000906498806 621993247 /nfs/dbraw/zinc/99/32/47/621993247.db2.gz FDGIXYIEXDYQSA-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821332237 622896499 /nfs/dbraw/zinc/89/64/99/622896499.db2.gz MFDBNSLAORASHP-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)C2)ccc1Cl ZINC000225381185 623037124 /nfs/dbraw/zinc/03/71/24/623037124.db2.gz VQTHWAPWJOAQGR-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCO)C2)ccc1Cl ZINC000225381185 623037131 /nfs/dbraw/zinc/03/71/31/623037131.db2.gz VQTHWAPWJOAQGR-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CCOCC[N@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171635343 623236170 /nfs/dbraw/zinc/23/61/70/623236170.db2.gz KFIQMFJWZWJQIO-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171635343 623236175 /nfs/dbraw/zinc/23/61/75/623236175.db2.gz KFIQMFJWZWJQIO-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)CO ZINC000827698725 624069405 /nfs/dbraw/zinc/06/94/05/624069405.db2.gz BNCCJTOSGRBCDT-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO CCn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827955175 624138386 /nfs/dbraw/zinc/13/83/86/624138386.db2.gz AHLPBRPCJOYVAA-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000174959232 624919117 /nfs/dbraw/zinc/91/91/17/624919117.db2.gz NUKRYMJFYIYMQJ-WDEREUQCSA-N 1 1 274.324 2.632 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc31)CCC2 ZINC000834831439 625891358 /nfs/dbraw/zinc/89/13/58/625891358.db2.gz JMBAKXPGQOPLQG-CABCVRRESA-N 1 1 298.346 2.903 20 5 CFBDMO C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1[N+](=O)[O-] ZINC000851714895 634484255 /nfs/dbraw/zinc/48/42/55/634484255.db2.gz JMVZISDOKGJDDB-CYBMUJFWSA-N 1 1 294.351 2.568 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc([N+](=O)[O-])cc1 ZINC000922537434 626304470 /nfs/dbraw/zinc/30/44/70/626304470.db2.gz FWVPNUYSTXQKLA-SNVBAGLBSA-N 1 1 276.292 2.531 20 5 CFBDMO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000922894362 626416194 /nfs/dbraw/zinc/41/61/94/626416194.db2.gz KAQISTYRXINNBM-ZDUSSCGKSA-N 1 1 294.380 2.877 20 5 CFBDMO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000922894359 626416244 /nfs/dbraw/zinc/41/62/44/626416244.db2.gz KAQISTYRXINNBM-CYBMUJFWSA-N 1 1 294.380 2.877 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(O)(C(C)C)C1 ZINC000839132453 626527965 /nfs/dbraw/zinc/52/79/65/626527965.db2.gz ACJPVGLNDDIGQN-QPEQYQDCSA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919953 626702062 /nfs/dbraw/zinc/70/20/62/626702062.db2.gz AMHNYWISOYXDPC-DOMZBBRYSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2cccn2C)cccc1[N+](=O)[O-] ZINC000760939312 626786336 /nfs/dbraw/zinc/78/63/36/626786336.db2.gz INYJZNRUXZYATH-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2cccn2C)cccc1[N+](=O)[O-] ZINC000760939312 626786339 /nfs/dbraw/zinc/78/63/39/626786339.db2.gz INYJZNRUXZYATH-UHFFFAOYSA-N 1 1 273.336 2.874 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764845106 627101198 /nfs/dbraw/zinc/10/11/98/627101198.db2.gz OHCOXHZETDZJJF-NSHDSACASA-N 1 1 288.351 2.942 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636626 627151913 /nfs/dbraw/zinc/15/19/13/627151913.db2.gz SJKODPWEIBXCSX-NXEZZACHSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636626 627151915 /nfs/dbraw/zinc/15/19/15/627151915.db2.gz SJKODPWEIBXCSX-NXEZZACHSA-N 1 1 299.321 2.792 20 5 CFBDMO CCOC(C[N@H+](CC)Cc1ccccc1[N+](=O)[O-])OCC ZINC000767756432 627282079 /nfs/dbraw/zinc/28/20/79/627282079.db2.gz FJNGCDDKOCRWER-UHFFFAOYSA-N 1 1 296.367 2.816 20 5 CFBDMO CCOC(C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-])OCC ZINC000767756432 627282084 /nfs/dbraw/zinc/28/20/84/627282084.db2.gz FJNGCDDKOCRWER-UHFFFAOYSA-N 1 1 296.367 2.816 20 5 CFBDMO C[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000774732044 627953582 /nfs/dbraw/zinc/95/35/82/627953582.db2.gz XPRLUMSPUJNSON-JTQLQIEISA-N 1 1 287.323 2.624 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000774885189 627976730 /nfs/dbraw/zinc/97/67/30/627976730.db2.gz QCFPYSPGNCTFTI-ZDUSSCGKSA-N 1 1 274.320 2.646 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774904464 627978461 /nfs/dbraw/zinc/97/84/61/627978461.db2.gz SWWCZEYQPKQGPN-VHSXEESVSA-N 1 1 279.296 2.733 20 5 CFBDMO C[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732784 628060207 /nfs/dbraw/zinc/06/02/07/628060207.db2.gz VTLSONXUTJYOLP-IUODEOHRSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580595 628160543 /nfs/dbraw/zinc/16/05/43/628160543.db2.gz WVXBYBAHNOWVII-DOMZBBRYSA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000776587632 628162300 /nfs/dbraw/zinc/16/23/00/628162300.db2.gz XMYMJBZZGUFMJV-CQSZACIVSA-N 1 1 276.336 2.504 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591258 628162555 /nfs/dbraw/zinc/16/25/55/628162555.db2.gz IKQBBZKGMVVVOZ-SMDDNHRTSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000776593037 628163243 /nfs/dbraw/zinc/16/32/43/628163243.db2.gz UISNJXWOHDMMTP-IJEWVQPXSA-N 1 1 290.363 2.750 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592558 628163370 /nfs/dbraw/zinc/16/33/70/628163370.db2.gz PWIQCIYJFWBKMB-DOMZBBRYSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957999 628267221 /nfs/dbraw/zinc/26/72/21/628267221.db2.gz WZUHNCOORXGQEN-GFCCVEGCSA-N 1 1 286.335 2.900 20 5 CFBDMO CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778399190 628304556 /nfs/dbraw/zinc/30/45/56/628304556.db2.gz WJOCWAHRPIPBJL-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000778399190 628304559 /nfs/dbraw/zinc/30/45/59/628304559.db2.gz WJOCWAHRPIPBJL-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000783639072 628729824 /nfs/dbraw/zinc/72/98/24/628729824.db2.gz YBKPUXZSFIOHQA-PWSUYJOCSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000783639072 628729827 /nfs/dbraw/zinc/72/98/27/628729827.db2.gz YBKPUXZSFIOHQA-PWSUYJOCSA-N 1 1 297.786 2.821 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ncn1 ZINC000783651867 628731059 /nfs/dbraw/zinc/73/10/59/628731059.db2.gz XONGUGQYDCKFLR-UHFFFAOYSA-N 1 1 292.726 2.636 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000783679009 628734088 /nfs/dbraw/zinc/73/40/88/628734088.db2.gz FQTRTNBDKWHQNV-LLVKDONJSA-N 1 1 284.743 2.595 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513651 628823230 /nfs/dbraw/zinc/82/32/30/628823230.db2.gz DRNKUFHCVCROFT-DZGCQCFKSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785546595 628892723 /nfs/dbraw/zinc/89/27/23/628892723.db2.gz QRVSWDGCIPEBPQ-UEKVPHQBSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424978 634742943 /nfs/dbraw/zinc/74/29/43/634742943.db2.gz HTJFIXHWLQHMGN-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CCO ZINC000852461034 634749793 /nfs/dbraw/zinc/74/97/93/634749793.db2.gz FMZRVAJPEMXSTR-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745446 629828675 /nfs/dbraw/zinc/82/86/75/629828675.db2.gz PGROMFWSOJGEGX-SWLSCSKDSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795745446 629828684 /nfs/dbraw/zinc/82/86/84/629828684.db2.gz PGROMFWSOJGEGX-SWLSCSKDSA-N 1 1 286.335 2.832 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852558462 634779996 /nfs/dbraw/zinc/77/99/96/634779996.db2.gz ALZDVTSAXAHJON-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852558462 634780001 /nfs/dbraw/zinc/78/00/01/634780001.db2.gz ALZDVTSAXAHJON-JOYOIKCWSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc(Cl)cn1 ZINC000800865893 630412705 /nfs/dbraw/zinc/41/27/05/630412705.db2.gz NENBXBSCTXFLAC-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc(Cl)cn1 ZINC000800865893 630412709 /nfs/dbraw/zinc/41/27/09/630412709.db2.gz NENBXBSCTXFLAC-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801526333 630453183 /nfs/dbraw/zinc/45/31/83/630453183.db2.gz LAUCMWURRVVYGK-RYUDHWBXSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000837336040 631003950 /nfs/dbraw/zinc/00/39/50/631003950.db2.gz YSFJBGFRKGRZCG-NSHDSACASA-N 1 1 296.323 2.608 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841693680 631453896 /nfs/dbraw/zinc/45/38/96/631453896.db2.gz VGNIJACHAVJQHN-GRYCIOLGSA-N 1 1 288.351 2.878 20 5 CFBDMO Cc1nn(C[NH+]2CCC(C)(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000811784953 631623273 /nfs/dbraw/zinc/62/32/73/631623273.db2.gz PJUUYWNWIYNBED-UHFFFAOYSA-N 1 1 292.383 2.878 20 5 CFBDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635443 631688322 /nfs/dbraw/zinc/68/83/22/631688322.db2.gz NKVMCZNCSOBLIL-STQMWFEESA-N 1 1 292.383 2.897 20 5 CFBDMO CCOc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000844455691 632218471 /nfs/dbraw/zinc/21/84/71/632218471.db2.gz BSNZQVIJZNNUMN-PHIMTYICSA-N 1 1 298.289 2.690 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000844455691 632218477 /nfs/dbraw/zinc/21/84/77/632218477.db2.gz BSNZQVIJZNNUMN-PHIMTYICSA-N 1 1 298.289 2.690 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1F ZINC000817292373 632596445 /nfs/dbraw/zinc/59/64/45/632596445.db2.gz SWLYOJDHMBWEER-GFCCVEGCSA-N 1 1 294.326 2.613 20 5 CFBDMO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000817291041 632596602 /nfs/dbraw/zinc/59/66/02/632596602.db2.gz MEPRXOKNTPQFSY-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817414027 632625674 /nfs/dbraw/zinc/62/56/74/632625674.db2.gz DPJIUIAVUGYQCS-MWLCHTKSSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817414027 632625676 /nfs/dbraw/zinc/62/56/76/632625676.db2.gz DPJIUIAVUGYQCS-MWLCHTKSSA-N 1 1 284.743 2.593 20 5 CFBDMO CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476591 633263894 /nfs/dbraw/zinc/26/38/94/633263894.db2.gz BXDKXINEQXSHBI-UHFFFAOYSA-N 1 1 274.324 2.758 20 5 CFBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000848518976 633273118 /nfs/dbraw/zinc/27/31/18/633273118.db2.gz KGKUPHGHZHGBAI-OIBJUYFYSA-N 1 1 283.715 2.903 20 5 CFBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000848520905 633275142 /nfs/dbraw/zinc/27/51/42/633275142.db2.gz RXWADYXIMJTXQS-XCBNKYQSSA-N 1 1 283.715 2.903 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848786268 633343529 /nfs/dbraw/zinc/34/35/29/633343529.db2.gz PXERXYGCOAVPAG-TZMCWYRMSA-N 1 1 290.367 2.606 20 5 CFBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000848786451 633343544 /nfs/dbraw/zinc/34/35/44/633343544.db2.gz QRVBHKOOHXEAEN-GXTWGEPZSA-N 1 1 290.367 2.606 20 5 CFBDMO Cn1c[nH+]cc1CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000853658224 635063747 /nfs/dbraw/zinc/06/37/47/635063747.db2.gz DUQPGNVJGTWSDD-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858257849 636167655 /nfs/dbraw/zinc/16/76/55/636167655.db2.gz VNLYBVMVWYGGNB-OLZOCXBDSA-N 1 1 284.743 2.905 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000862442448 637382434 /nfs/dbraw/zinc/38/24/34/637382434.db2.gz CDISHNFGCUFTKD-AOOOYVTPSA-N 1 1 252.701 2.700 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000862442448 637382438 /nfs/dbraw/zinc/38/24/38/637382438.db2.gz CDISHNFGCUFTKD-AOOOYVTPSA-N 1 1 252.701 2.700 20 5 CFBDMO CC(C)C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000120735123 638570536 /nfs/dbraw/zinc/57/05/36/638570536.db2.gz NTPRVDLNTXPXPP-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000120735123 638570542 /nfs/dbraw/zinc/57/05/42/638570542.db2.gz NTPRVDLNTXPXPP-GFCCVEGCSA-N 1 1 266.345 2.507 20 5 CFBDMO C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC000866112435 638743373 /nfs/dbraw/zinc/74/33/73/638743373.db2.gz AGFAWBJDQJMKSM-UHFFFAOYSA-N 1 1 298.774 2.564 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207952 638770743 /nfs/dbraw/zinc/77/07/43/638770743.db2.gz RYJRNHUYSPJNPO-JQWIXIFHSA-N 1 1 295.770 2.779 20 5 CFBDMO CC(C)[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866217094 638772578 /nfs/dbraw/zinc/77/25/78/638772578.db2.gz CBQWZQDNYIFKQA-CYBMUJFWSA-N 1 1 281.331 2.510 20 5 CFBDMO CC[C@@H](C[C@H](C)O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000866303988 638793025 /nfs/dbraw/zinc/79/30/25/638793025.db2.gz SJCDBAKYNHVRGJ-QWRGUYRKSA-N 1 1 289.335 2.526 20 5 CFBDMO CC(C)C[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000122169368 638949117 /nfs/dbraw/zinc/94/91/17/638949117.db2.gz IEQZNQJDUPWFIR-GFCCVEGCSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@H](O[NH+]=C(N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000871764953 641448170 /nfs/dbraw/zinc/44/81/70/641448170.db2.gz NUVSCQJCMYKGAE-VIFPVBQESA-N 1 1 263.297 2.954 20 5 CFBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000871766189 641448896 /nfs/dbraw/zinc/44/88/96/641448896.db2.gz ZDWNMDHQFANCCT-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034478 641565953 /nfs/dbraw/zinc/56/59/53/641565953.db2.gz OTNVZXUDGJFEBL-WDEREUQCSA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034478 641565962 /nfs/dbraw/zinc/56/59/62/641565962.db2.gz OTNVZXUDGJFEBL-WDEREUQCSA-N 1 1 293.342 2.621 20 5 CFBDMO C[C@H](NCC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035219 641567060 /nfs/dbraw/zinc/56/70/60/641567060.db2.gz UGCJOERRVAKKCE-NSHDSACASA-N 1 1 295.358 2.726 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040614 641574261 /nfs/dbraw/zinc/57/42/61/641574261.db2.gz ZISPHGRDWJTZKP-NWDGAFQWSA-N 1 1 295.358 2.869 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040620 641574697 /nfs/dbraw/zinc/57/46/97/641574697.db2.gz ZISPHGRDWJTZKP-VXGBXAGGSA-N 1 1 295.358 2.869 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCF ZINC000872068591 641599809 /nfs/dbraw/zinc/59/98/09/641599809.db2.gz HOOUEWRNZYQJGX-QMMMGPOBSA-N 1 1 258.318 2.937 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000873129394 642022350 /nfs/dbraw/zinc/02/23/50/642022350.db2.gz OUVHHSHDCUGCLN-ZDUSSCGKSA-N 1 1 286.335 2.643 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000876613484 642944616 /nfs/dbraw/zinc/94/46/16/642944616.db2.gz PTULYDJVNYGAMG-UHFFFAOYSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC(C)(C)C1 ZINC000876613484 642944618 /nfs/dbraw/zinc/94/46/18/642944618.db2.gz PTULYDJVNYGAMG-UHFFFAOYSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCOC[C@H]1C ZINC000876752197 642994776 /nfs/dbraw/zinc/99/47/76/642994776.db2.gz JESCVGQYCHOQNV-GFCCVEGCSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCOC1 ZINC000876789116 643009491 /nfs/dbraw/zinc/00/94/91/643009491.db2.gz RHUQQHNMXYWEEC-CYBMUJFWSA-N 1 1 278.352 2.680 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000877031104 643111304 /nfs/dbraw/zinc/11/13/04/643111304.db2.gz MQBKCJFTOAVOFF-ZDUSSCGKSA-N 1 1 292.335 2.626 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CO)CC1 ZINC000877554645 643355627 /nfs/dbraw/zinc/35/56/27/643355627.db2.gz LAUDYLPYJARGRT-AWEZNQCLSA-N 1 1 292.379 2.806 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000877594312 643386716 /nfs/dbraw/zinc/38/67/16/643386716.db2.gz FBYXWGBDTXEKND-FZMZJTMJSA-N 1 1 292.379 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000877638581 643422783 /nfs/dbraw/zinc/42/27/83/643422783.db2.gz ZQOFYVHHTPYDRX-KBPBESRZSA-N 1 1 290.363 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000877638582 643424295 /nfs/dbraw/zinc/42/42/95/643424295.db2.gz ZQOFYVHHTPYDRX-KGLIPLIRSA-N 1 1 290.363 2.680 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cs1 ZINC000877736899 643497287 /nfs/dbraw/zinc/49/72/87/643497287.db2.gz BSOGBOLQDLJEAM-QWRGUYRKSA-N 1 1 284.406 2.841 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000877754096 643532116 /nfs/dbraw/zinc/53/21/16/643532116.db2.gz WBDZKNKMNLULBR-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878136428 643755583 /nfs/dbraw/zinc/75/55/83/643755583.db2.gz YRFBIMSDYAHONI-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCC3CC3)C2)nc1 ZINC000878250863 643808331 /nfs/dbraw/zinc/80/83/31/643808331.db2.gz CQCGHRLWJVTQGL-ZDUSSCGKSA-N 1 1 290.367 2.666 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247052152 650896237 /nfs/dbraw/zinc/89/62/37/650896237.db2.gz UALZFVDYFRZRJA-QWRGUYRKSA-N 1 1 274.324 2.632 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879559928 644320963 /nfs/dbraw/zinc/32/09/63/644320963.db2.gz TZOUCSMFXQRVSZ-WDEREUQCSA-N 1 1 296.367 2.919 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616662 644348382 /nfs/dbraw/zinc/34/83/82/644348382.db2.gz IDQNGAGWRAWAKN-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[N@H+]1C ZINC000092628197 650923039 /nfs/dbraw/zinc/92/30/39/650923039.db2.gz WBOOYNPTMBFKHU-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO CCC1(CC)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000880093678 644529673 /nfs/dbraw/zinc/52/96/73/644529673.db2.gz GHLFOINLWBVBAK-UHFFFAOYSA-N 1 1 280.372 2.754 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880139591 644548877 /nfs/dbraw/zinc/54/88/77/644548877.db2.gz ALMMKRWXJBNEGV-YPMHNXCESA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000248369650 650931969 /nfs/dbraw/zinc/93/19/69/650931969.db2.gz WMZKNBSRYNTKOP-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000880185550 644567154 /nfs/dbraw/zinc/56/71/54/644567154.db2.gz SHFUBIVPEUNGGM-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CF)C1 ZINC000880232122 644591991 /nfs/dbraw/zinc/59/19/91/644591991.db2.gz HAKQOVSQMKIBMT-GFCCVEGCSA-N 1 1 282.315 2.655 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000882958760 645529080 /nfs/dbraw/zinc/52/90/80/645529080.db2.gz JQFGHGMOGDADGR-ZDUSSCGKSA-N 1 1 286.335 2.649 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C2CC2)O1 ZINC000885937619 646774593 /nfs/dbraw/zinc/77/45/93/646774593.db2.gz FNANBYAPHHVKNX-GDBMZVCRSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C2CC2)O1 ZINC000885937619 646774596 /nfs/dbraw/zinc/77/45/96/646774596.db2.gz FNANBYAPHHVKNX-GDBMZVCRSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021184 646823424 /nfs/dbraw/zinc/82/34/24/646823424.db2.gz QRPRJTYRHRMRDB-LBPRGKRZSA-N 1 1 283.331 2.937 20 5 CFBDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021184 646823428 /nfs/dbraw/zinc/82/34/28/646823428.db2.gz QRPRJTYRHRMRDB-LBPRGKRZSA-N 1 1 283.331 2.937 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000886025206 646825811 /nfs/dbraw/zinc/82/58/11/646825811.db2.gz DRORFAZAUWYOKG-UHFFFAOYSA-N 1 1 261.325 2.756 20 5 CFBDMO CC(C)C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028388 646828587 /nfs/dbraw/zinc/82/85/87/646828587.db2.gz PURYLJFSCZFVFW-GFCCVEGCSA-N 1 1 263.341 2.858 20 5 CFBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028389 646829002 /nfs/dbraw/zinc/82/90/02/646829002.db2.gz PURYLJFSCZFVFW-LBPRGKRZSA-N 1 1 263.341 2.858 20 5 CFBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cn1 ZINC000886129777 646886690 /nfs/dbraw/zinc/88/66/90/646886690.db2.gz NTPYBVGQAUIENC-NSHDSACASA-N 1 1 289.339 2.618 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000886237025 646933432 /nfs/dbraw/zinc/93/34/32/646933432.db2.gz TZIIQGBVCLJCKR-AWEZNQCLSA-N 1 1 293.392 2.709 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000886263945 646938835 /nfs/dbraw/zinc/93/88/35/646938835.db2.gz KXWJJTOAGHTCAF-CQSZACIVSA-N 1 1 298.346 2.764 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000886264078 646939681 /nfs/dbraw/zinc/93/96/81/646939681.db2.gz OSUGOZBHIXNRCL-AAEUAGOBSA-N 1 1 261.325 2.754 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886674833 647104904 /nfs/dbraw/zinc/10/49/04/647104904.db2.gz SEAOIAACJGBJPI-AWEZNQCLSA-N 1 1 298.346 2.764 20 5 CFBDMO Cc1[nH]c(CN(C)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000929163758 648993099 /nfs/dbraw/zinc/99/30/99/648993099.db2.gz BYUHALSJKCNFQH-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO C[N@@H+](CCc1ccns1)Cc1ccccc1[N+](=O)[O-] ZINC000929163726 648993220 /nfs/dbraw/zinc/99/32/20/648993220.db2.gz ARPYVXFTXUTWTE-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000929860726 649141448 /nfs/dbraw/zinc/14/14/48/649141448.db2.gz FFSJWVLUPGMWJT-LLVKDONJSA-N 1 1 291.376 2.752 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000929860726 649141451 /nfs/dbraw/zinc/14/14/51/649141451.db2.gz FFSJWVLUPGMWJT-LLVKDONJSA-N 1 1 291.376 2.752 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1ccns1)C2 ZINC000930100043 649184087 /nfs/dbraw/zinc/18/40/87/649184087.db2.gz PWJVNTJOUGWZPG-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO COC/C(C)=C\C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099240 649184506 /nfs/dbraw/zinc/18/45/06/649184506.db2.gz KBPQYUCZUJKQBK-SDQBBNPISA-N 1 1 276.336 2.546 20 5 CFBDMO COC/C(C)=C\C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099240 649184510 /nfs/dbraw/zinc/18/45/10/649184510.db2.gz KBPQYUCZUJKQBK-SDQBBNPISA-N 1 1 276.336 2.546 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000930219147 649208733 /nfs/dbraw/zinc/20/87/33/649208733.db2.gz GKIMAFMONXUFEF-INIZCTEOSA-N 1 1 286.331 2.673 20 5 CFBDMO COC/C(C)=C\C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354628 649236244 /nfs/dbraw/zinc/23/62/44/649236244.db2.gz RBMRHEULPKDGNC-QPEQYQDCSA-N 1 1 278.352 2.662 20 5 CFBDMO O=[N+]([O-])CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000930444817 649248705 /nfs/dbraw/zinc/24/87/05/649248705.db2.gz CSWAUPXIMFZESP-AWEZNQCLSA-N 1 1 284.306 2.825 20 5 CFBDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931688483 649472436 /nfs/dbraw/zinc/47/24/36/649472436.db2.gz IAHWPVBALRMGBP-NSHDSACASA-N 1 1 284.306 2.809 20 5 CFBDMO Cc1oncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177318 649559911 /nfs/dbraw/zinc/55/99/11/649559911.db2.gz MLTQNYNDHMJZQU-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932262964 649570784 /nfs/dbraw/zinc/57/07/84/649570784.db2.gz YNYYBPWQWKQJND-OAHLLOKOSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1nccc1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932262964 649570785 /nfs/dbraw/zinc/57/07/85/649570785.db2.gz YNYYBPWQWKQJND-OAHLLOKOSA-N 1 1 286.335 2.665 20 5 CFBDMO Cc1c(C[N@H+]2CCO[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932350994 649582279 /nfs/dbraw/zinc/58/22/79/649582279.db2.gz PHMZHYPXPHSGPW-NSHDSACASA-N 1 1 264.325 2.514 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000934109523 649750436 /nfs/dbraw/zinc/75/04/36/649750436.db2.gz AOLAUQDVVWCXSR-GXTWGEPZSA-N 1 1 294.351 2.603 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001167406967 770433475 /nfs/dbraw/zinc/43/34/75/770433475.db2.gz YUZYDGOAZPWAMA-ZDUSSCGKSA-N 1 1 294.399 2.977 20 5 CFBDMO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000723014028 770446107 /nfs/dbraw/zinc/44/61/07/770446107.db2.gz CWZTZFDDHDKCOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000723014028 770446111 /nfs/dbraw/zinc/44/61/11/770446111.db2.gz CWZTZFDDHDKCOR-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO COC[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001167646756 773210844 /nfs/dbraw/zinc/21/08/44/773210844.db2.gz GNQCVMOGHBBJIK-HNNXBMFYSA-N 1 1 292.379 2.872 20 5 CFBDMO C[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204581 775128564 /nfs/dbraw/zinc/12/85/64/775128564.db2.gz SIAOGNYJTFZPEU-CYBMUJFWSA-N 1 1 286.331 2.969 20 5 CFBDMO C[N+](C)(C)CCO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001224775120 775269328 /nfs/dbraw/zinc/26/93/28/775269328.db2.gz IYRXUVCVSYXUPW-MRXNPFEDSA-N 1 1 295.422 2.513 20 5 CFBDMO O=[N+]([O-])c1cc(OC2CC[NH+](CCF)CC2)ccc1F ZINC001225382815 775436753 /nfs/dbraw/zinc/43/67/53/775436753.db2.gz SFLREWICPKJMBR-UHFFFAOYSA-N 1 1 286.278 2.547 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2C)C1 ZINC001225689097 775559613 /nfs/dbraw/zinc/55/96/13/775559613.db2.gz BHDCYPLIGNCEIS-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001225905511 775629738 /nfs/dbraw/zinc/62/97/38/775629738.db2.gz VCDNOBXZVAOZNK-ZSBIGDGJSA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226130424 775710827 /nfs/dbraw/zinc/71/08/27/775710827.db2.gz MXYGXYFGIPEJNM-SNVBAGLBSA-N 1 1 285.731 2.506 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226271400 775765502 /nfs/dbraw/zinc/76/55/02/775765502.db2.gz YZZCSFLGMAGXIN-GFCCVEGCSA-N 1 1 282.315 2.986 20 5 CFBDMO CC(=O)c1ccc(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226293691 775770303 /nfs/dbraw/zinc/77/03/03/775770303.db2.gz ZRBLYXKPBRMSOZ-CYBMUJFWSA-N 1 1 292.335 2.661 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226333799 775782074 /nfs/dbraw/zinc/78/20/74/775782074.db2.gz OAHSYFUGDOICCD-NSHDSACASA-N 1 1 280.324 2.552 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228015904 776363998 /nfs/dbraw/zinc/36/39/98/776363998.db2.gz HPEFIGITENIKBV-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209520 776422484 /nfs/dbraw/zinc/42/24/84/776422484.db2.gz SZMOIWPXLGMMSQ-SNVBAGLBSA-N 1 1 293.348 2.678 20 5 CFBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC001228758485 776600111 /nfs/dbraw/zinc/60/01/11/776600111.db2.gz GSNMGDUCTGFYCV-SNVBAGLBSA-N 1 1 293.710 2.839 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229202475 776750767 /nfs/dbraw/zinc/75/07/67/776750767.db2.gz WWELKDMJQIHKNX-LLVKDONJSA-N 1 1 291.282 2.633 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376881 776794405 /nfs/dbraw/zinc/79/44/05/776794405.db2.gz MUSRZHIBUXVFRA-SNVBAGLBSA-N 1 1 270.716 2.721 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229918704 776918590 /nfs/dbraw/zinc/91/85/90/776918590.db2.gz GLMPXPKTEUSYHZ-SNVBAGLBSA-N 1 1 299.758 2.895 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777419 778074907 /nfs/dbraw/zinc/07/49/07/778074907.db2.gz AFKNJDRLNLXZCU-NSHDSACASA-N 1 1 287.319 2.616 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087667 778162078 /nfs/dbraw/zinc/16/20/78/778162078.db2.gz QNSMIOZWFNYPKD-ZDUSSCGKSA-N 1 1 279.343 2.866 20 5 CFBDMO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001234899660 778325421 /nfs/dbraw/zinc/32/54/21/778325421.db2.gz DAMOBLZJVADUOU-GFCCVEGCSA-N 1 1 279.340 2.550 20 5 CFBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351925194 780595597 /nfs/dbraw/zinc/59/55/97/780595597.db2.gz KNHOBQDPTWJRAE-HNNXBMFYSA-N 1 1 296.342 2.574 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000594519790 349439954 /nfs/dbraw/zinc/43/99/54/349439954.db2.gz LLUNGPIOVYNTER-OLZOCXBDSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000594519790 349439957 /nfs/dbraw/zinc/43/99/57/349439957.db2.gz LLUNGPIOVYNTER-OLZOCXBDSA-N 1 1 295.408 2.763 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594546598 349445110 /nfs/dbraw/zinc/44/51/10/349445110.db2.gz UKKIJWWIPMZAIP-NEPJUHHUSA-N 1 1 291.351 2.642 20 5 CFBDMO CCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000594612700 349463236 /nfs/dbraw/zinc/46/32/36/349463236.db2.gz GJKPIZISZQQNSB-UHFFFAOYSA-N 1 1 294.351 2.986 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124748277 187151953 /nfs/dbraw/zinc/15/19/53/187151953.db2.gz AZSBELQASQFKKN-SECBINFHSA-N 1 1 269.732 2.612 20 5 CFBDMO Cc1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594969606 349534983 /nfs/dbraw/zinc/53/49/83/349534983.db2.gz XTXVYVLUBJIAQM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1ccc(CNC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594969606 349534987 /nfs/dbraw/zinc/53/49/87/349534987.db2.gz XTXVYVLUBJIAQM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594978915 349537041 /nfs/dbraw/zinc/53/70/41/349537041.db2.gz CZWXTIGWCBKEON-GFCCVEGCSA-N 1 1 297.424 2.866 20 5 CFBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594985775 349538965 /nfs/dbraw/zinc/53/89/65/349538965.db2.gz PGNJMSLYVZDVCG-UHFFFAOYSA-N 1 1 292.364 2.557 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000595008434 349547326 /nfs/dbraw/zinc/54/73/26/349547326.db2.gz SMMPGPUQYJBKOV-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H](O)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000595008455 349547641 /nfs/dbraw/zinc/54/76/41/349547641.db2.gz SYSHQXJPZKNTBA-QMTHXVAHSA-N 1 1 292.360 2.868 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC000595025998 349555066 /nfs/dbraw/zinc/55/50/66/349555066.db2.gz MCUNCZKMBQIQAW-DGCLKSJQSA-N 1 1 286.335 2.977 20 5 CFBDMO CCC[N@H+](C)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000594999787 349543377 /nfs/dbraw/zinc/54/33/77/349543377.db2.gz DXGSKVYUQIWFQS-UHFFFAOYSA-N 1 1 295.383 2.510 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000594999787 349543381 /nfs/dbraw/zinc/54/33/81/349543381.db2.gz DXGSKVYUQIWFQS-UHFFFAOYSA-N 1 1 295.383 2.510 20 5 CFBDMO CCOc1ccc(NCc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC000595001328 349544315 /nfs/dbraw/zinc/54/43/15/349544315.db2.gz SBHJTOZQOGSRQA-UHFFFAOYSA-N 1 1 287.319 2.731 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595312289 349600625 /nfs/dbraw/zinc/60/06/25/349600625.db2.gz JDYWSSLZPBJFNC-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000595328067 349602305 /nfs/dbraw/zinc/60/23/05/349602305.db2.gz VQRGZORVHWVJOZ-TXEJJXNPSA-N 1 1 264.300 2.822 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328373 349602365 /nfs/dbraw/zinc/60/23/65/349602365.db2.gz ITDDPXQKHICNAL-UKRRQHHQSA-N 1 1 296.342 2.859 20 5 CFBDMO Cc1noc(C[N@H+]2CCCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595325503 349602476 /nfs/dbraw/zinc/60/24/76/349602476.db2.gz IRMCPNBCKCLWTC-UHFFFAOYSA-N 1 1 267.329 2.903 20 5 CFBDMO Cc1noc(C[N@H+](C)CCCc2ccccc2)c1[N+](=O)[O-] ZINC000595294781 349593219 /nfs/dbraw/zinc/59/32/19/349593219.db2.gz FSQDMEAFAUKOFE-UHFFFAOYSA-N 1 1 289.335 2.956 20 5 CFBDMO Cc1noc(C[N@@H+](C)CCCc2ccccc2)c1[N+](=O)[O-] ZINC000595294781 349593222 /nfs/dbraw/zinc/59/32/22/349593222.db2.gz FSQDMEAFAUKOFE-UHFFFAOYSA-N 1 1 289.335 2.956 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595294383 349593632 /nfs/dbraw/zinc/59/36/32/349593632.db2.gz LXDPKBSDGLKEBX-SNVBAGLBSA-N 1 1 253.302 2.512 20 5 CFBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000595295445 349595299 /nfs/dbraw/zinc/59/52/99/349595299.db2.gz FWIHNKAAYVYODS-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595365402 349610632 /nfs/dbraw/zinc/61/06/32/349610632.db2.gz ASJOHTDVUPBUHV-GFCCVEGCSA-N 1 1 297.355 2.672 20 5 CFBDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595365402 349610634 /nfs/dbraw/zinc/61/06/34/349610634.db2.gz ASJOHTDVUPBUHV-GFCCVEGCSA-N 1 1 297.355 2.672 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3CCC3)C2)nc1 ZINC000595372784 349611318 /nfs/dbraw/zinc/61/13/18/349611318.db2.gz VDFVZJBXCQAQHN-ZDUSSCGKSA-N 1 1 290.367 2.666 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595386623 349613031 /nfs/dbraw/zinc/61/30/31/349613031.db2.gz IYAZDGZEQHOUMC-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CS[C@@H]1CCCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595388829 349613975 /nfs/dbraw/zinc/61/39/75/349613975.db2.gz XJMQPPJIKXGZPW-SNVBAGLBSA-N 1 1 285.369 2.609 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595396640 349616308 /nfs/dbraw/zinc/61/63/08/349616308.db2.gz NQXJFIQSKBFVDP-VHSXEESVSA-N 1 1 267.329 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000595396510 349616395 /nfs/dbraw/zinc/61/63/95/349616395.db2.gz WNSNZJALFDWTSU-AAEUAGOBSA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428049 349623312 /nfs/dbraw/zinc/62/33/12/349623312.db2.gz ZIFBASAHSANOEJ-HZMBPMFUSA-N 1 1 279.340 2.903 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595463037 349634497 /nfs/dbraw/zinc/63/44/97/349634497.db2.gz YFEFQVBHEIPPFK-SNVBAGLBSA-N 1 1 284.356 2.919 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595520839 349650355 /nfs/dbraw/zinc/65/03/55/349650355.db2.gz ODTJUWHZEVJBMC-ZDUSSCGKSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000595521402 349650494 /nfs/dbraw/zinc/65/04/94/349650494.db2.gz RSTAWSNPOHIKNN-ZDUSSCGKSA-N 1 1 298.358 2.963 20 5 CFBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595557796 349658972 /nfs/dbraw/zinc/65/89/72/349658972.db2.gz KNRZYVBXTXIUPS-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595543427 349655701 /nfs/dbraw/zinc/65/57/01/349655701.db2.gz JQFQLUZDURKEEU-UHFFFAOYSA-N 1 1 267.329 2.902 20 5 CFBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595543427 349655704 /nfs/dbraw/zinc/65/57/04/349655704.db2.gz JQFQLUZDURKEEU-UHFFFAOYSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595548834 349657219 /nfs/dbraw/zinc/65/72/19/349657219.db2.gz ABOSXCHCWZPCHP-LLVKDONJSA-N 1 1 297.380 2.609 20 5 CFBDMO Cc1noc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595548834 349657221 /nfs/dbraw/zinc/65/72/21/349657221.db2.gz ABOSXCHCWZPCHP-LLVKDONJSA-N 1 1 297.380 2.609 20 5 CFBDMO C[C@@]1(C2CC2)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616771 349676996 /nfs/dbraw/zinc/67/69/96/349676996.db2.gz CJZGABUUWWKMKV-INIZCTEOSA-N 1 1 290.363 2.638 20 5 CFBDMO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000595666571 349693833 /nfs/dbraw/zinc/69/38/33/349693833.db2.gz BPYJJDRCKCVSGH-JTQLQIEISA-N 1 1 293.348 2.781 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595689171 349701397 /nfs/dbraw/zinc/70/13/97/349701397.db2.gz MQTRKPFVVGAEAJ-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595690982 349702178 /nfs/dbraw/zinc/70/21/78/349702178.db2.gz XBCYEGOEDPBARO-BETUJISGSA-N 1 1 282.365 2.515 20 5 CFBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595690982 349702181 /nfs/dbraw/zinc/70/21/81/349702181.db2.gz XBCYEGOEDPBARO-BETUJISGSA-N 1 1 282.365 2.515 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671858 349696020 /nfs/dbraw/zinc/69/60/20/349696020.db2.gz XAUIXNLWYGCFAW-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744617 349721634 /nfs/dbraw/zinc/72/16/34/349721634.db2.gz KUSPNYUHNHQCIL-ZAZJYDDPSA-N 1 1 278.352 2.605 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595706942 349712171 /nfs/dbraw/zinc/71/21/71/349712171.db2.gz ZECMEZGIRNBDLV-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595810888 349737762 /nfs/dbraw/zinc/73/77/62/349737762.db2.gz PGFKBXHDHQXAQE-CHWSQXEVSA-N 1 1 276.336 2.835 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760148 349726020 /nfs/dbraw/zinc/72/60/20/349726020.db2.gz SDRCWVWUFUAJOW-XEZPLFJOSA-N 1 1 290.363 2.933 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780287 349731602 /nfs/dbraw/zinc/73/16/02/349731602.db2.gz PKRVQFXOYJAJHC-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780287 349731605 /nfs/dbraw/zinc/73/16/05/349731605.db2.gz PKRVQFXOYJAJHC-MNOVXSKESA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880775 349760664 /nfs/dbraw/zinc/76/06/64/349760664.db2.gz ZEKPIAAKMARTNX-HZMBPMFUSA-N 1 1 298.770 2.699 20 5 CFBDMO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595887552 349761727 /nfs/dbraw/zinc/76/17/27/349761727.db2.gz FOHAZMXAXUZJJY-UHFFFAOYSA-N 1 1 282.340 2.839 20 5 CFBDMO C[N@@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595887552 349761730 /nfs/dbraw/zinc/76/17/30/349761730.db2.gz FOHAZMXAXUZJJY-UHFFFAOYSA-N 1 1 282.340 2.839 20 5 CFBDMO CC12CC(C1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000595915856 349768460 /nfs/dbraw/zinc/76/84/60/349768460.db2.gz PITBUCJOBUIBTQ-UHFFFAOYSA-N 1 1 250.273 2.718 20 5 CFBDMO COc1cc(NCC[N@@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596089090 349792123 /nfs/dbraw/zinc/79/21/23/349792123.db2.gz SJMSDNHJEGRHFC-UHFFFAOYSA-N 1 1 299.758 2.763 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145942 349808054 /nfs/dbraw/zinc/80/80/54/349808054.db2.gz ITXMTAMSPHWVKZ-PSASIEDQSA-N 1 1 269.370 2.859 20 5 CFBDMO Cc1cc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])s1 ZINC000596229433 349833800 /nfs/dbraw/zinc/83/38/00/349833800.db2.gz BEKZXEGKQAQVTR-VIFPVBQESA-N 1 1 278.337 2.588 20 5 CFBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000413345784 529884352 /nfs/dbraw/zinc/88/43/52/529884352.db2.gz GEYXOWMGOHKSLI-UHFFFAOYSA-N 1 1 263.341 2.881 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287325 347006999 /nfs/dbraw/zinc/00/69/99/347006999.db2.gz JBLWRKVIUALYIY-HUUCEWRRSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074748671 347030505 /nfs/dbraw/zinc/03/05/05/347030505.db2.gz BEICHDAFJZUBIX-LBPRGKRZSA-N 1 1 290.367 2.727 20 5 CFBDMO COc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273188040 192069492 /nfs/dbraw/zinc/06/94/92/192069492.db2.gz QZJDGOBZTJNVLS-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000413450747 530060862 /nfs/dbraw/zinc/06/08/62/530060862.db2.gz YXSTZZDWVWJVFH-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000295100914 199344736 /nfs/dbraw/zinc/34/47/36/199344736.db2.gz GIUJOUKYLMJKIL-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000007447157 346218347 /nfs/dbraw/zinc/21/83/47/346218347.db2.gz HQBROMYBHOOLMB-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030148672 346286543 /nfs/dbraw/zinc/28/65/43/346286543.db2.gz ZWVYBSFJLHYXPU-LLVKDONJSA-N 1 1 279.340 2.510 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000046037730 346418174 /nfs/dbraw/zinc/41/81/74/346418174.db2.gz ZOEJWTYITQLFHS-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000046600852 346429730 /nfs/dbraw/zinc/42/97/30/346429730.db2.gz GNFGMOAWOHZCJO-UHFFFAOYSA-N 1 1 290.319 2.836 20 5 CFBDMO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000046600852 346429733 /nfs/dbraw/zinc/42/97/33/346429733.db2.gz GNFGMOAWOHZCJO-UHFFFAOYSA-N 1 1 290.319 2.836 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCOC1 ZINC000052072611 346513169 /nfs/dbraw/zinc/51/31/69/346513169.db2.gz IKORFNNPDJQPQS-ZDUSSCGKSA-N 1 1 278.352 2.762 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000051260035 346501871 /nfs/dbraw/zinc/50/18/71/346501871.db2.gz YQBQYIHOWRRKPI-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000063615397 346705775 /nfs/dbraw/zinc/70/57/75/346705775.db2.gz OOEKEKYVPUIXCG-NSHDSACASA-N 1 1 291.351 2.572 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066811136 346780352 /nfs/dbraw/zinc/78/03/52/346780352.db2.gz LHCKDDVOIHHXQW-GFCCVEGCSA-N 1 1 278.356 2.522 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078562784 347261746 /nfs/dbraw/zinc/26/17/46/347261746.db2.gz AZUYWMVBYKKCOO-LBPRGKRZSA-N 1 1 295.358 2.902 20 5 CFBDMO Cc1cnc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630725 347266242 /nfs/dbraw/zinc/26/62/42/347266242.db2.gz XUSWQTARWHRWNU-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO Cc1cc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000080599397 347368541 /nfs/dbraw/zinc/36/85/41/347368541.db2.gz BBAXXLWWWBPLCB-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000111253865 347752951 /nfs/dbraw/zinc/75/29/51/347752951.db2.gz QIYYHERKCSSLSD-GFCCVEGCSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510389 347802257 /nfs/dbraw/zinc/80/22/57/347802257.db2.gz JRSFSULTTGCVIJ-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510389 347802259 /nfs/dbraw/zinc/80/22/59/347802259.db2.gz JRSFSULTTGCVIJ-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOc1cccc(N[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000134908856 347902343 /nfs/dbraw/zinc/90/23/43/347902343.db2.gz FGXFTJJFTJOBCD-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO CCOc1cccc(N[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000134908881 347902410 /nfs/dbraw/zinc/90/24/10/347902410.db2.gz FGXFTJJFTJOBCD-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000227649211 348189062 /nfs/dbraw/zinc/18/90/62/348189062.db2.gz DKGVKPOGNTULRN-VIFPVBQESA-N 1 1 296.758 2.539 20 5 CFBDMO CC(C)[N@@H+](CC[C@@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000450288749 535073290 /nfs/dbraw/zinc/07/32/90/535073290.db2.gz UCPAASJVJVPEAE-GFCCVEGCSA-N 1 1 266.341 2.576 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CO)CC1 ZINC000293256225 348361975 /nfs/dbraw/zinc/36/19/75/348361975.db2.gz UEYVYQJWRAKRQM-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313807772 348423988 /nfs/dbraw/zinc/42/39/88/348423988.db2.gz HRSTVKCIDZJRFN-GFCCVEGCSA-N 1 1 295.358 2.698 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395273 348425178 /nfs/dbraw/zinc/42/51/78/348425178.db2.gz CYUMIFCMKWNUNG-NEPJUHHUSA-N 1 1 293.367 2.806 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000273409262 192141043 /nfs/dbraw/zinc/14/10/43/192141043.db2.gz HNYBSFARKNPFOF-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000273417223 192142964 /nfs/dbraw/zinc/14/29/64/192142964.db2.gz ISRXGQKPIUOCRU-UHFFFAOYSA-N 1 1 290.363 2.906 20 5 CFBDMO C[N@@H+]1CC=C(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000273951260 192376102 /nfs/dbraw/zinc/37/61/02/192376102.db2.gz MTXFTHQAUPMUKN-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206572 348819623 /nfs/dbraw/zinc/81/96/23/348819623.db2.gz ZNNAXABEMLFJJJ-NHYWBVRUSA-N 1 1 295.358 2.506 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000589584245 348839629 /nfs/dbraw/zinc/83/96/29/348839629.db2.gz LGZDQZFLODXPQV-RKDXNWHRSA-N 1 1 267.354 2.693 20 5 CFBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877289 348862397 /nfs/dbraw/zinc/86/23/97/348862397.db2.gz ASVFRCWWZRJXGY-LLVKDONJSA-N 1 1 295.408 2.967 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)cc1 ZINC000590659588 348924435 /nfs/dbraw/zinc/92/44/35/348924435.db2.gz PGQLPTWQUUPFHC-CQSZACIVSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000590970342 348974454 /nfs/dbraw/zinc/97/44/54/348974454.db2.gz VKEXZMKSAUZUPT-HUUCEWRRSA-N 1 1 288.347 2.596 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591850152 349051237 /nfs/dbraw/zinc/05/12/37/349051237.db2.gz VZMPTFLWAJCHPZ-ZDUSSCGKSA-N 1 1 297.786 2.774 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591505421 349027425 /nfs/dbraw/zinc/02/74/25/349027425.db2.gz OGDDVJXOLCVVGA-CQSZACIVSA-N 1 1 290.363 2.783 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3=CCCC3)C2)nc1 ZINC000592079981 349080798 /nfs/dbraw/zinc/08/07/98/349080798.db2.gz KBEBUXSJSSZVPD-CYBMUJFWSA-N 1 1 288.351 2.586 20 5 CFBDMO CC[N@@H+](CCSC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592202382 349099894 /nfs/dbraw/zinc/09/98/94/349099894.db2.gz YTNNTOLNIVMCSF-UHFFFAOYSA-N 1 1 295.364 2.921 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592521278 349132374 /nfs/dbraw/zinc/13/23/74/349132374.db2.gz ZZGZPEGDOUTUCR-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592521278 349132378 /nfs/dbraw/zinc/13/23/78/349132378.db2.gz ZZGZPEGDOUTUCR-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592521278 349132383 /nfs/dbraw/zinc/13/23/83/349132383.db2.gz ZZGZPEGDOUTUCR-HNNXBMFYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592521279 349132410 /nfs/dbraw/zinc/13/24/10/349132410.db2.gz ZZGZPEGDOUTUCR-OAHLLOKOSA-N 1 1 277.368 2.511 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592521279 349132413 /nfs/dbraw/zinc/13/24/13/349132413.db2.gz 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O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599128304 350380797 /nfs/dbraw/zinc/38/07/97/350380797.db2.gz WDBVYWXTVXAABD-ZDUSSCGKSA-N 1 1 290.367 2.809 20 5 CFBDMO CC1(C)CCC(C)(C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599538842 350453196 /nfs/dbraw/zinc/45/31/96/350453196.db2.gz UMNXSTVSZZLXLF-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1[nH+]cn(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C ZINC000106439979 186117411 /nfs/dbraw/zinc/11/74/11/186117411.db2.gz UYCOLDGUFJPZBG-UHFFFAOYSA-N 1 1 299.290 2.506 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680845 350481218 /nfs/dbraw/zinc/48/12/18/350481218.db2.gz HYRGEGCPGHWZIQ-CUOATXAZSA-N 1 1 296.754 2.593 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(C)COC1 ZINC000600192915 350536759 /nfs/dbraw/zinc/53/67/59/350536759.db2.gz ZUGGVMXCHZZUIQ-QPEQYQDCSA-N 1 1 290.363 2.966 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107692496 186187195 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CC1(C)C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000601191818 350693315 /nfs/dbraw/zinc/69/33/15/350693315.db2.gz QQISTLKDFKNKBZ-SNVBAGLBSA-N 1 1 287.319 2.544 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000601195738 350694232 /nfs/dbraw/zinc/69/42/32/350694232.db2.gz BCUYCBIJRXFBOQ-RYUDHWBXSA-N 1 1 299.330 2.616 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298354 186392390 /nfs/dbraw/zinc/39/23/90/186392390.db2.gz LTDRCMRVOMQSQS-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504595 350907885 /nfs/dbraw/zinc/90/78/85/350907885.db2.gz HSEMJHXIQGJIFF-GFCCVEGCSA-N 1 1 275.308 2.966 20 5 CFBDMO CC(C)[C@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504595 350907889 /nfs/dbraw/zinc/90/78/89/350907889.db2.gz HSEMJHXIQGJIFF-GFCCVEGCSA-N 1 1 275.308 2.966 20 5 CFBDMO CO[C@](C)(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602659535 350964598 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2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000602839313 351041588 /nfs/dbraw/zinc/04/15/88/351041588.db2.gz YDBGBWNBQCFBKQ-CYBMUJFWSA-N 1 1 294.399 2.858 20 5 CFBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602881285 351056054 /nfs/dbraw/zinc/05/60/54/351056054.db2.gz GBQYRQXZPGSWEQ-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602881285 351056056 /nfs/dbraw/zinc/05/60/56/351056056.db2.gz GBQYRQXZPGSWEQ-UHFFFAOYSA-N 1 1 293.348 2.562 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602999347 351089557 /nfs/dbraw/zinc/08/95/57/351089557.db2.gz FDAVUNQWULSBDL-CQSZACIVSA-N 1 1 292.383 2.694 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604323390 351207139 /nfs/dbraw/zinc/20/71/39/351207139.db2.gz LPFUPDICHJETPU-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291377550 198005073 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Cc1ccnc(NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000609669872 351515425 /nfs/dbraw/zinc/51/54/25/351515425.db2.gz ZPPPCBSLODPXIL-UHFFFAOYSA-N 1 1 298.346 2.726 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000610476253 351569106 /nfs/dbraw/zinc/56/91/06/351569106.db2.gz QJELOVZJHRBFJR-LLVKDONJSA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1cc[nH+]c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000610734349 351599161 /nfs/dbraw/zinc/59/91/61/351599161.db2.gz NXBRUPNFLSFZBK-UHFFFAOYSA-N 1 1 298.346 2.625 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762737 351605768 /nfs/dbraw/zinc/60/57/68/351605768.db2.gz RPUOZSSIDFGOJQ-MFKMUULPSA-N 1 1 262.309 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762737 351605773 /nfs/dbraw/zinc/60/57/73/351605773.db2.gz RPUOZSSIDFGOJQ-MFKMUULPSA-N 1 1 262.309 2.588 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179472 351648952 /nfs/dbraw/zinc/64/89/52/351648952.db2.gz CUPBVWXZLFIZGP-VIFPVBQESA-N 1 1 286.278 2.690 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179472 351648956 /nfs/dbraw/zinc/64/89/56/351648956.db2.gz CUPBVWXZLFIZGP-VIFPVBQESA-N 1 1 286.278 2.690 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000611222026 351652375 /nfs/dbraw/zinc/65/23/75/351652375.db2.gz HMAXENQELHFMEW-ZJUUUORDSA-N 1 1 269.370 2.575 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000611411726 351685135 /nfs/dbraw/zinc/68/51/35/351685135.db2.gz WMUBORYFYRCBRU-UWVGGRQHSA-N 1 1 267.354 2.695 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611413078 351686162 /nfs/dbraw/zinc/68/61/62/351686162.db2.gz SWQNMSRCAPKETH-SNVBAGLBSA-N 1 1 267.354 2.553 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516452 351702791 /nfs/dbraw/zinc/70/27/91/351702791.db2.gz HQHBMUFCBDQCBW-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1[nH]ncc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520945 351703515 /nfs/dbraw/zinc/70/35/15/351703515.db2.gz FOUIKGCNASAEST-JTQLQIEISA-N 1 1 274.324 2.520 20 5 CFBDMO Cc1cnn(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291670563 198058107 /nfs/dbraw/zinc/05/81/07/198058107.db2.gz GIZOGFCTJQEXDB-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000611616495 351714519 /nfs/dbraw/zinc/71/45/19/351714519.db2.gz UEPGOZJQHMUORL-CYBMUJFWSA-N 1 1 290.367 2.503 20 5 CFBDMO C[C@H](c1ccncc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612468221 351824775 /nfs/dbraw/zinc/82/47/75/351824775.db2.gz XJDSMBAJLCYUHD-LLVKDONJSA-N 1 1 284.319 2.504 20 5 CFBDMO C[C@H](c1ccncc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612468221 351824777 /nfs/dbraw/zinc/82/47/77/351824777.db2.gz XJDSMBAJLCYUHD-LLVKDONJSA-N 1 1 284.319 2.504 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000123195602 187077109 /nfs/dbraw/zinc/07/71/09/187077109.db2.gz ALDVYAPTNXYSDX-VXGBXAGGSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000123474442 187094284 /nfs/dbraw/zinc/09/42/84/187094284.db2.gz FITCYUPOTURHAX-ZDUSSCGKSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123644365 187102232 /nfs/dbraw/zinc/10/22/32/187102232.db2.gz CNASNPKRHUDGTP-PWSUYJOCSA-N 1 1 283.397 2.571 20 5 CFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123784178 187108196 /nfs/dbraw/zinc/10/81/96/187108196.db2.gz GLYZMCGFTYGFDK-XJKSGUPXSA-N 1 1 292.379 2.763 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123806967 187109724 /nfs/dbraw/zinc/10/97/24/187109724.db2.gz AVGOURUPFDPWLP-TZMCWYRMSA-N 1 1 277.368 2.509 20 5 CFBDMO Cc1[nH]ncc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271508442 191182535 /nfs/dbraw/zinc/18/25/35/191182535.db2.gz OJQCAKVRFMEMRZ-NSHDSACASA-N 1 1 288.351 2.737 20 5 CFBDMO CC[C@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135734091 187851065 /nfs/dbraw/zinc/85/10/65/187851065.db2.gz MATFJLJBYZPGNC-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000619531625 353033379 /nfs/dbraw/zinc/03/33/79/353033379.db2.gz RLLTXDJBZIQGPY-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000619531625 353033380 /nfs/dbraw/zinc/03/33/80/353033380.db2.gz RLLTXDJBZIQGPY-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153088817 188064291 /nfs/dbraw/zinc/06/42/91/188064291.db2.gz VMLHCUVHAGMSPS-JQWIXIFHSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000153799059 188104261 /nfs/dbraw/zinc/10/42/61/188104261.db2.gz FZWXHUSRCLUCHZ-UHFFFAOYSA-N 1 1 272.251 2.790 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000153799059 188104263 /nfs/dbraw/zinc/10/42/63/188104263.db2.gz FZWXHUSRCLUCHZ-UHFFFAOYSA-N 1 1 272.251 2.790 20 5 CFBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358252 198257320 /nfs/dbraw/zinc/25/73/20/198257320.db2.gz FQDLOXVZKKOANF-HUUCEWRRSA-N 1 1 292.379 2.995 20 5 CFBDMO Cc1n[nH]cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154300064 188134093 /nfs/dbraw/zinc/13/40/93/188134093.db2.gz JDDGFJXYPHOGHN-UHFFFAOYSA-N 1 1 286.335 2.791 20 5 CFBDMO Cc1n[nH]cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154300064 188134094 /nfs/dbraw/zinc/13/40/94/188134094.db2.gz JDDGFJXYPHOGHN-UHFFFAOYSA-N 1 1 286.335 2.791 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(CCC3)C2)c1 ZINC000154446911 188143181 /nfs/dbraw/zinc/14/31/81/188143181.db2.gz JZORIESKYFOKEV-AWEZNQCLSA-N 1 1 276.336 2.504 20 5 CFBDMO CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000007049293 539988491 /nfs/dbraw/zinc/98/84/91/539988491.db2.gz FIDUERZQEUYCMZ-UHFFFAOYSA-N 1 1 274.324 2.703 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000292553300 198329448 /nfs/dbraw/zinc/32/94/48/198329448.db2.gz AMDNOPIUKCAVBS-OAHLLOKOSA-N 1 1 290.363 2.517 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000292553294 198330075 /nfs/dbraw/zinc/33/00/75/198330075.db2.gz AMDNOPIUKCAVBS-HNNXBMFYSA-N 1 1 290.363 2.517 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158242730 188365501 /nfs/dbraw/zinc/36/55/01/188365501.db2.gz LISKRJJWFDTASO-UHFFFAOYSA-N 1 1 290.363 2.782 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000271714394 191287099 /nfs/dbraw/zinc/28/70/99/191287099.db2.gz VRKWXMXENQOWQR-SNVBAGLBSA-N 1 1 276.292 2.531 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375235844 283078952 /nfs/dbraw/zinc/07/89/52/283078952.db2.gz WYSZUHNUPXRYSY-QMTHXVAHSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000173392938 188852780 /nfs/dbraw/zinc/85/27/80/188852780.db2.gz OOUBJYBNERESBF-NEPJUHHUSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000173392938 188852781 /nfs/dbraw/zinc/85/27/81/188852781.db2.gz OOUBJYBNERESBF-NEPJUHHUSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106429 283099975 /nfs/dbraw/zinc/09/99/75/283099975.db2.gz VFTYPKFVICRPGH-BXUZGUMPSA-N 1 1 293.342 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCCC2)c1 ZINC000675056161 540640943 /nfs/dbraw/zinc/64/09/43/540640943.db2.gz JZQSLALBFWKFTH-UHFFFAOYSA-N 1 1 285.141 2.953 20 5 CFBDMO CC(C)[N@H+](Cc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177021641 189021009 /nfs/dbraw/zinc/02/10/09/189021009.db2.gz HCBKNTXMUQYAFV-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO CC(C)[N@@H+](Cc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177021641 189021010 /nfs/dbraw/zinc/02/10/10/189021010.db2.gz HCBKNTXMUQYAFV-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccccc1[N+](=O)[O-] ZINC000298518314 200457028 /nfs/dbraw/zinc/45/70/28/200457028.db2.gz RHVAIIIBEXHRNH-UHFFFAOYSA-N 1 1 261.281 2.569 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178568629 189127555 /nfs/dbraw/zinc/12/75/55/189127555.db2.gz HHYVGBNWPJDUAE-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO CC1(C)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178860105 189150756 /nfs/dbraw/zinc/15/07/56/189150756.db2.gz ZMLIJPBPRBPVAZ-ZDUSSCGKSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423332181 238383722 /nfs/dbraw/zinc/38/37/22/238383722.db2.gz PBRGXDLFFUQGLM-CJNGLKHVSA-N 1 1 291.395 2.944 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301458911 201016711 /nfs/dbraw/zinc/01/67/11/201016711.db2.gz ZNPRPMDWJHMGOH-DGCLKSJQSA-N 1 1 295.358 2.900 20 5 CFBDMO Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662017 201123166 /nfs/dbraw/zinc/12/31/66/201123166.db2.gz UVMOJBRJBXWGKL-VXGBXAGGSA-N 1 1 292.383 2.831 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183388596 189357507 /nfs/dbraw/zinc/35/75/07/189357507.db2.gz KJHLBMUFCIJFEZ-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000302013164 201299170 /nfs/dbraw/zinc/29/91/70/201299170.db2.gz ZVCWSGGZCOQLKB-VIFPVBQESA-N 1 1 255.343 2.553 20 5 CFBDMO COc1cc(NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302144938 201365651 /nfs/dbraw/zinc/36/56/51/201365651.db2.gz IWMHLIWHGNLZTH-UHFFFAOYSA-N 1 1 291.351 2.667 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426461162 239225430 /nfs/dbraw/zinc/22/54/30/239225430.db2.gz PJAKPOIAVIBFCB-CHWSQXEVSA-N 1 1 276.336 2.848 20 5 CFBDMO Cc1cccc(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000275403100 193023668 /nfs/dbraw/zinc/02/36/68/193023668.db2.gz FFIQGKGKNQKKNO-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC(C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275465866 193049061 /nfs/dbraw/zinc/04/90/61/193049061.db2.gz KUFRLBQBISTENS-UHFFFAOYSA-N 1 1 297.330 2.650 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439300682 240761505 /nfs/dbraw/zinc/76/15/05/240761505.db2.gz YTAQVPSTIGCTPI-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)CCCO)cc1[N+](=O)[O-] ZINC000442968426 241025673 /nfs/dbraw/zinc/02/56/73/241025673.db2.gz WWEDHHHULBAOAW-UHFFFAOYSA-N 1 1 266.341 2.532 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC4(CC4)C3)nc2c1 ZINC000444685328 241165881 /nfs/dbraw/zinc/16/58/81/241165881.db2.gz NWSJRYOCGWSWHE-UHFFFAOYSA-N 1 1 286.335 2.847 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC4(CC4)C3)nc2c1 ZINC000444685328 241165886 /nfs/dbraw/zinc/16/58/86/241165886.db2.gz NWSJRYOCGWSWHE-UHFFFAOYSA-N 1 1 286.335 2.847 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449679244 242104137 /nfs/dbraw/zinc/10/41/37/242104137.db2.gz HOJBGQXRPSIQFN-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO Cc1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449789443 242168839 /nfs/dbraw/zinc/16/88/39/242168839.db2.gz ZSROPLUIIWXXHB-HNNXBMFYSA-N 1 1 291.395 2.818 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863673 203328916 /nfs/dbraw/zinc/32/89/16/203328916.db2.gz TXLOMKJWRBFWGQ-AAEUAGOBSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000020047893 372223629 /nfs/dbraw/zinc/22/36/29/372223629.db2.gz POZCYILBRJUEDT-AWEZNQCLSA-N 1 1 291.395 2.949 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000025404042 372299431 /nfs/dbraw/zinc/29/94/31/372299431.db2.gz MQCNBSJRFBVEMH-GFCCVEGCSA-N 1 1 291.351 2.716 20 5 CFBDMO CC[C@@H]([NH2+]CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010474 372627746 /nfs/dbraw/zinc/62/77/46/372627746.db2.gz OBFSDLJOPVXFHT-CQSZACIVSA-N 1 1 265.357 2.587 20 5 CFBDMO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644166 372680573 /nfs/dbraw/zinc/68/05/73/372680573.db2.gz BXRCZWCDZJGMDY-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644166 372680581 /nfs/dbraw/zinc/68/05/81/372680581.db2.gz BXRCZWCDZJGMDY-XJKSGUPXSA-N 1 1 291.395 2.977 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000037647731 372681001 /nfs/dbraw/zinc/68/10/01/372681001.db2.gz MIZRVSXWVCVUAH-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775564 372705384 /nfs/dbraw/zinc/70/53/84/372705384.db2.gz XIOFQMLENAZKIA-JZIBPQBNSA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000037775564 372705406 /nfs/dbraw/zinc/70/54/06/372705406.db2.gz XIOFQMLENAZKIA-JZIBPQBNSA-N 1 1 289.379 2.871 20 5 CFBDMO CCC[C@H]([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000041014806 372802289 /nfs/dbraw/zinc/80/22/89/372802289.db2.gz ZJKUZPACHMJBKL-AWEZNQCLSA-N 1 1 274.324 2.949 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048947799 373235273 /nfs/dbraw/zinc/23/52/73/373235273.db2.gz LYKUMFFCOGSXRQ-NSHDSACASA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC000051554890 373397989 /nfs/dbraw/zinc/39/79/89/373397989.db2.gz DFRRGGIGFOQJLD-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000052103087 373436942 /nfs/dbraw/zinc/43/69/42/373436942.db2.gz MBXZJSRARZSSED-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054128097 373500317 /nfs/dbraw/zinc/50/03/17/373500317.db2.gz IENKAIAQVNSPKS-UHFFFAOYSA-N 1 1 257.721 2.612 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054128045 373500613 /nfs/dbraw/zinc/50/06/13/373500613.db2.gz XGIUQWFBRNJYRR-UHFFFAOYSA-N 1 1 291.273 2.977 20 5 CFBDMO CC(C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000065960990 373906013 /nfs/dbraw/zinc/90/60/13/373906013.db2.gz QZKFSGHOEOUHJW-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000071950781 374232620 /nfs/dbraw/zinc/23/26/20/374232620.db2.gz ZYVMTPFDNXVUEC-NSHDSACASA-N 1 1 264.325 2.704 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072977297 374310443 /nfs/dbraw/zinc/31/04/43/374310443.db2.gz CERINEWQGYHQRC-CYBMUJFWSA-N 1 1 278.352 2.843 20 5 CFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000075842340 374509449 /nfs/dbraw/zinc/50/94/49/374509449.db2.gz LCWYLSIPWZOSKJ-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO CCc1cc(NCc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000088760161 374862419 /nfs/dbraw/zinc/86/24/19/374862419.db2.gz BSCFAKQCZCKUQH-UHFFFAOYSA-N 1 1 272.308 2.868 20 5 CFBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000090529857 375020019 /nfs/dbraw/zinc/02/00/19/375020019.db2.gz RNJKZTJRXFOWBK-PWSUYJOCSA-N 1 1 288.351 2.908 20 5 CFBDMO CCOc1cc(NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649556 375135808 /nfs/dbraw/zinc/13/58/08/375135808.db2.gz IRSQNKBYHNVSFC-NSHDSACASA-N 1 1 293.367 2.888 20 5 CFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482248 375252066 /nfs/dbraw/zinc/25/20/66/375252066.db2.gz DXZQQGMGIGUSPR-ZDSVCRJJSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093232545 375198236 /nfs/dbraw/zinc/19/82/36/375198236.db2.gz IMZMRMJAPNNUHV-CHWSQXEVSA-N 1 1 275.352 2.942 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCSC1 ZINC000094774273 375377799 /nfs/dbraw/zinc/37/77/99/375377799.db2.gz SEVXEUQEWXITQS-SNVBAGLBSA-N 1 1 270.329 2.671 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501791720 247107195 /nfs/dbraw/zinc/10/71/95/247107195.db2.gz BPKJAHWXCMDABL-QWHCGFSZSA-N 1 1 278.352 2.952 20 5 CFBDMO C[NH+](C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112851319 375970381 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C[N@H+](CCC1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000120439815 376614954 /nfs/dbraw/zinc/61/49/54/376614954.db2.gz CKFIUWMTFVQMEV-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO C[N@@H+](CCC1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000120439815 376614960 /nfs/dbraw/zinc/61/49/60/376614960.db2.gz CKFIUWMTFVQMEV-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000123616073 376962386 /nfs/dbraw/zinc/96/23/86/376962386.db2.gz KVIHWPFGSOANOK-UHFFFAOYSA-N 1 1 288.307 2.553 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCC1 ZINC000130328215 377539490 /nfs/dbraw/zinc/53/94/90/377539490.db2.gz WJADGLUGSZMQBN-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO COC[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844263 190212395 /nfs/dbraw/zinc/21/23/95/190212395.db2.gz XLZIDBJYKPTMBQ-NEPJUHHUSA-N 1 1 264.325 2.624 20 5 CFBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000135288254 378112642 /nfs/dbraw/zinc/11/26/42/378112642.db2.gz XXQBNAGIADHSOV-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336678 378119858 /nfs/dbraw/zinc/11/98/58/378119858.db2.gz IPIDTVAXQKOHRT-GXTWGEPZSA-N 1 1 280.372 2.692 20 5 CFBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336659 378120601 /nfs/dbraw/zinc/12/06/01/378120601.db2.gz IPIDTVAXQKOHRT-TZMCWYRMSA-N 1 1 280.372 2.692 20 5 CFBDMO CSC[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000135460703 378135975 /nfs/dbraw/zinc/13/59/75/378135975.db2.gz BAXGXAJWVIQMGB-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO CSC[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000135460720 378136554 /nfs/dbraw/zinc/13/65/54/378136554.db2.gz BAXGXAJWVIQMGB-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000135225997 378100340 /nfs/dbraw/zinc/10/03/40/378100340.db2.gz RUSLPHXTGGZOCF-AWEZNQCLSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000135225997 378100345 /nfs/dbraw/zinc/10/03/45/378100345.db2.gz RUSLPHXTGGZOCF-AWEZNQCLSA-N 1 1 276.336 2.738 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000155098300 378611313 /nfs/dbraw/zinc/61/13/13/378611313.db2.gz WHPAZBVFCVXMSH-LBPRGKRZSA-N 1 1 263.341 2.657 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](C)C1 ZINC000332315757 378745433 /nfs/dbraw/zinc/74/54/33/378745433.db2.gz YLCFYGQSVKPGIC-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045630 378720751 /nfs/dbraw/zinc/72/07/51/378720751.db2.gz LPABCJZBNQPZGV-QWRGUYRKSA-N 1 1 292.335 2.692 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350503 379070855 /nfs/dbraw/zinc/07/08/55/379070855.db2.gz FXZMNOXIMJNIFJ-JQWIXIFHSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000172860471 379658535 /nfs/dbraw/zinc/65/85/35/379658535.db2.gz IQTHMAXBRRMRQN-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000172860471 379658545 /nfs/dbraw/zinc/65/85/45/379658545.db2.gz IQTHMAXBRRMRQN-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000174863107 379953349 /nfs/dbraw/zinc/95/33/49/379953349.db2.gz DAHXYUUOUXAMPG-OAHLLOKOSA-N 1 1 290.367 2.614 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177853823 380385445 /nfs/dbraw/zinc/38/54/45/380385445.db2.gz GAPOCPVFVBNANS-GFCCVEGCSA-N 1 1 293.367 2.901 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177888949 380390710 /nfs/dbraw/zinc/39/07/10/380390710.db2.gz JEHOJJIWAPYOPF-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178370235 380443861 /nfs/dbraw/zinc/44/38/61/380443861.db2.gz VGJBSDUFYSOPOY-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452110140 383746911 /nfs/dbraw/zinc/74/69/11/383746911.db2.gz QCINCOLRABPUIQ-SMDDNHRTSA-N 1 1 294.326 2.591 20 5 CFBDMO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452110140 383746913 /nfs/dbraw/zinc/74/69/13/383746913.db2.gz QCINCOLRABPUIQ-SMDDNHRTSA-N 1 1 294.326 2.591 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CCCO)C1 ZINC000452128385 383747501 /nfs/dbraw/zinc/74/75/01/383747501.db2.gz MBPBBYBJIIFOQR-STQMWFEESA-N 1 1 278.352 2.750 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347029470 380890041 /nfs/dbraw/zinc/89/00/41/380890041.db2.gz WJOMJYXVDRBDCH-NQBHXWOUSA-N 1 1 292.335 2.539 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000368396025 381010466 /nfs/dbraw/zinc/01/04/66/381010466.db2.gz YHSCLXVBGZAUAG-NSHDSACASA-N 1 1 294.326 2.974 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000347235510 381019717 /nfs/dbraw/zinc/01/97/17/381019717.db2.gz RYPHSNFLSIQREZ-SNVBAGLBSA-N 1 1 284.381 2.782 20 5 CFBDMO COc1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000354026466 381029859 /nfs/dbraw/zinc/02/98/59/381029859.db2.gz UJZIHDCVLSUIFP-UHFFFAOYSA-N 1 1 275.308 2.564 20 5 CFBDMO COc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000354026466 381029868 /nfs/dbraw/zinc/02/98/68/381029868.db2.gz UJZIHDCVLSUIFP-UHFFFAOYSA-N 1 1 275.308 2.564 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155766 381005525 /nfs/dbraw/zinc/00/55/25/381005525.db2.gz HOZPQYNEONUUHQ-HZMBPMFUSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155766 381005531 /nfs/dbraw/zinc/00/55/31/381005531.db2.gz HOZPQYNEONUUHQ-HZMBPMFUSA-N 1 1 298.770 2.984 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOCC1 ZINC000347363443 381097915 /nfs/dbraw/zinc/09/79/15/381097915.db2.gz QJMLBJIDAKYVHG-JLHYYAGUSA-N 1 1 276.336 2.720 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000347375712 381108257 /nfs/dbraw/zinc/10/82/57/381108257.db2.gz KFVBVTLDRUAMRG-RKIJOGDYSA-N 1 1 290.363 2.701 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCOC1 ZINC000347376088 381108596 /nfs/dbraw/zinc/10/85/96/381108596.db2.gz ZHBLPPRFIGECBV-JQVXPOPVSA-N 1 1 276.336 2.719 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182780763 381156688 /nfs/dbraw/zinc/15/66/88/381156688.db2.gz NEIAARPMGZRMAO-KIFYNCCSSA-N 1 1 290.363 2.952 20 5 CFBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182660931 381131191 /nfs/dbraw/zinc/13/11/91/381131191.db2.gz JVJCWSFQLQJTQW-VXGBXAGGSA-N 1 1 294.351 2.705 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000183296691 381252402 /nfs/dbraw/zinc/25/24/02/381252402.db2.gz BIXBJKPBJLPXKU-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000183296691 381252406 /nfs/dbraw/zinc/25/24/06/381252406.db2.gz BIXBJKPBJLPXKU-LBPRGKRZSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359099102 381263720 /nfs/dbraw/zinc/26/37/20/381263720.db2.gz OAASGUOUEPYALT-CHWSQXEVSA-N 1 1 292.383 2.526 20 5 CFBDMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296077205 381245552 /nfs/dbraw/zinc/24/55/52/381245552.db2.gz QGIIWISHUWAOEI-ZDUSSCGKSA-N 1 1 289.379 2.511 20 5 CFBDMO CS[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296200000 381299537 /nfs/dbraw/zinc/29/95/37/381299537.db2.gz JFWUTGMQRPWVPY-CQSZACIVSA-N 1 1 296.392 2.801 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](SC)C1 ZINC000296204296 381300448 /nfs/dbraw/zinc/30/04/48/381300448.db2.gz JKNMWGIONJVQOC-LBPRGKRZSA-N 1 1 282.365 2.541 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000296226605 381310031 /nfs/dbraw/zinc/31/00/31/381310031.db2.gz DRGKOGJLLBLAGF-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO Cc1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369958386 381356476 /nfs/dbraw/zinc/35/64/76/381356476.db2.gz LTNODEMKRODNCG-ZDUSSCGKSA-N 1 1 275.352 2.578 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000296535479 381437435 /nfs/dbraw/zinc/43/74/35/381437435.db2.gz DOBDHZUQPOGFAG-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO COc1cc(CNc2[nH+]cccc2C)c([N+](=O)[O-])cc1O ZINC000184827990 381483423 /nfs/dbraw/zinc/48/34/23/381483423.db2.gz LTUUYTFOSHEAKZ-UHFFFAOYSA-N 1 1 289.291 2.625 20 5 CFBDMO COc1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501067 381454301 /nfs/dbraw/zinc/45/43/01/381454301.db2.gz AROJGQSYQATHPX-MNOVXSKESA-N 1 1 291.351 2.641 20 5 CFBDMO CC(=O)c1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342837388 381576756 /nfs/dbraw/zinc/57/67/56/381576756.db2.gz XOSJRZKLDYORCC-YGRLFVJLSA-N 1 1 291.351 2.692 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000342809303 381557222 /nfs/dbraw/zinc/55/72/22/381557222.db2.gz SYRUBPUCHIMPQN-NSHDSACASA-N 1 1 286.335 2.852 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)OC ZINC000291007842 381629021 /nfs/dbraw/zinc/62/90/21/381629021.db2.gz AKZFAJCWQFBVPX-JTQLQIEISA-N 1 1 270.304 2.591 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)OC ZINC000291007842 381629025 /nfs/dbraw/zinc/62/90/25/381629025.db2.gz AKZFAJCWQFBVPX-JTQLQIEISA-N 1 1 270.304 2.591 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355112145 381619737 /nfs/dbraw/zinc/61/97/37/381619737.db2.gz NDWHYVUTBOZSFM-ZIAGYGMSSA-N 1 1 276.336 2.596 20 5 CFBDMO Cc1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371416388 381620578 /nfs/dbraw/zinc/62/05/78/381620578.db2.gz LVGKWJOTUWVFKR-OAHLLOKOSA-N 1 1 289.379 2.573 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355141438 381639337 /nfs/dbraw/zinc/63/93/37/381639337.db2.gz YERAVSNYURFXRL-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO Cn1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000348670073 381663499 /nfs/dbraw/zinc/66/34/99/381663499.db2.gz HRRIBXBUOGAAJY-UHFFFAOYSA-N 1 1 273.336 2.608 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CC1CC1 ZINC000348712411 381681730 /nfs/dbraw/zinc/68/17/30/381681730.db2.gz HYMCOLBIRKNPQS-LCYFTJDESA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000371881169 381716351 /nfs/dbraw/zinc/71/63/51/381716351.db2.gz DYSGHOFYFREUTC-UHFFFAOYSA-N 1 1 290.363 2.906 20 5 CFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655819 381696418 /nfs/dbraw/zinc/69/64/18/381696418.db2.gz KSPVCEZJGKSWRQ-GLQYFDAESA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343449857 381717597 /nfs/dbraw/zinc/71/75/97/381717597.db2.gz DNYBPROZJOONKM-KOLCDFICSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H]1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343482196 381744183 /nfs/dbraw/zinc/74/41/83/381744183.db2.gz SSBYRXVMDSLUSS-UFBFGSQYSA-N 1 1 285.294 2.768 20 5 CFBDMO CCc1ccccc1[C@@H](N)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000415062712 381748956 /nfs/dbraw/zinc/74/89/56/381748956.db2.gz FVVGARJXESJOQA-INIZCTEOSA-N 1 1 299.374 2.947 20 5 CFBDMO NC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071569 381755605 /nfs/dbraw/zinc/75/56/05/381755605.db2.gz WOYFIDXKKMJZMF-BOSPYUDASA-N 1 1 289.379 2.715 20 5 CFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000372283803 381784625 /nfs/dbraw/zinc/78/46/25/381784625.db2.gz UZKSEPYPCJYPKZ-CHWSQXEVSA-N 1 1 276.340 2.537 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208814 381795296 /nfs/dbraw/zinc/79/52/96/381795296.db2.gz TVCQBWKKKIQGTP-XJKSGUPXSA-N 1 1 289.379 2.683 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291692260 381769851 /nfs/dbraw/zinc/76/98/51/381769851.db2.gz HNOWDZLDWDXJPC-QWHCGFSZSA-N 1 1 286.335 2.799 20 5 CFBDMO C=Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291695224 381770238 /nfs/dbraw/zinc/77/02/38/381770238.db2.gz JMDYGUGALWHICF-UHFFFAOYSA-N 1 1 286.335 2.917 20 5 CFBDMO COC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000361566681 381844540 /nfs/dbraw/zinc/84/45/40/381844540.db2.gz SDMUSOMFEPJKFP-UHFFFAOYSA-N 1 1 290.363 2.912 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1F ZINC000292773040 381828758 /nfs/dbraw/zinc/82/87/58/381828758.db2.gz PIAXJYVEARUPDZ-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770045 381829347 /nfs/dbraw/zinc/82/93/47/381829347.db2.gz WRMSFCLGYNCICV-WCQYABFASA-N 1 1 295.358 2.819 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292840357 381859941 /nfs/dbraw/zinc/85/99/41/381859941.db2.gz QMMWPPFFNMHXQO-HNNXBMFYSA-N 1 1 275.352 2.517 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292924349 381905659 /nfs/dbraw/zinc/90/56/59/381905659.db2.gz YSYIYPAFTBQLPP-HNNXBMFYSA-N 1 1 293.342 2.656 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349367181 381910886 /nfs/dbraw/zinc/91/08/86/381910886.db2.gz LBLPUIGQJANBME-KANSDYPASA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000186530983 381937459 /nfs/dbraw/zinc/93/74/59/381937459.db2.gz YPUIBPSPDOOGGM-FZMZJTMJSA-N 1 1 290.319 2.962 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1(CO)CC1 ZINC000186771263 382008691 /nfs/dbraw/zinc/00/86/91/382008691.db2.gz XGIPIDLMAFPYCH-LBPRGKRZSA-N 1 1 278.352 2.669 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293106699 381992608 /nfs/dbraw/zinc/99/26/08/381992608.db2.gz LLXZVYSDVAWBEH-SMDDNHRTSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000299592874 381994788 /nfs/dbraw/zinc/99/47/88/381994788.db2.gz WOFIMPWZBUAZIV-UHFFFAOYSA-N 1 1 290.298 2.841 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000301241260 382119099 /nfs/dbraw/zinc/11/90/99/382119099.db2.gz GDZIAANQLYRRKD-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1ccnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301250420 382120947 /nfs/dbraw/zinc/12/09/47/382120947.db2.gz BYGHRFUWBIRTIO-GFCCVEGCSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926896 382071516 /nfs/dbraw/zinc/07/15/16/382071516.db2.gz MHZPXVABRSKQLC-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO COc1cc(C[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000351971985 382099470 /nfs/dbraw/zinc/09/94/70/382099470.db2.gz YIYNCVTVLWUERE-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO Cc1ccnc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301293847 382139853 /nfs/dbraw/zinc/13/98/53/382139853.db2.gz OLGCTYHCWMPSGK-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000301328730 382148842 /nfs/dbraw/zinc/14/88/42/382148842.db2.gz CTZKZOGDHSVDKK-NSHDSACASA-N 1 1 283.759 2.779 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139116 382153414 /nfs/dbraw/zinc/15/34/14/382153414.db2.gz YASWFVQGXONHPX-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139116 382153418 /nfs/dbraw/zinc/15/34/18/382153418.db2.gz YASWFVQGXONHPX-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187538576 382205611 /nfs/dbraw/zinc/20/56/11/382205611.db2.gz ODZSDVYXKKVXBP-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187538576 382205618 /nfs/dbraw/zinc/20/56/18/382205618.db2.gz ODZSDVYXKKVXBP-HNNXBMFYSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187575912 382216630 /nfs/dbraw/zinc/21/66/30/382216630.db2.gz JWBCLQBNESGPAM-INIZCTEOSA-N 1 1 292.379 2.622 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000302689309 382292277 /nfs/dbraw/zinc/29/22/77/382292277.db2.gz UVRWPDAQNVFQNX-GFCCVEGCSA-N 1 1 286.335 2.835 20 5 CFBDMO CC[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000419220987 382250067 /nfs/dbraw/zinc/25/00/67/382250067.db2.gz AJTNVYHWDQUHED-HNNXBMFYSA-N 1 1 278.352 2.984 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000352325213 382274794 /nfs/dbraw/zinc/27/47/94/382274794.db2.gz OTGYBFAZPSERDG-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000364328644 382306939 /nfs/dbraw/zinc/30/69/39/382306939.db2.gz OJGOLGIXCMXMAY-KBPBESRZSA-N 1 1 290.367 2.785 20 5 CFBDMO COCCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000419382320 382307793 /nfs/dbraw/zinc/30/77/93/382307793.db2.gz JBTKHFABUCDHRL-UHFFFAOYSA-N 1 1 266.341 2.762 20 5 CFBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000377642102 382309294 /nfs/dbraw/zinc/30/92/94/382309294.db2.gz AVCVNZRMHURVEK-OAHLLOKOSA-N 1 1 296.342 2.574 20 5 CFBDMO CCC(CC)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335107 382309933 /nfs/dbraw/zinc/30/99/33/382309933.db2.gz HVSJYGJWFSZMOF-CYBMUJFWSA-N 1 1 280.372 2.864 20 5 CFBDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187972452 382313346 /nfs/dbraw/zinc/31/33/46/382313346.db2.gz SSQATBMPKKVMQY-DOMZBBRYSA-N 1 1 278.352 2.750 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352539899 382386005 /nfs/dbraw/zinc/38/60/05/382386005.db2.gz DTRYSSLTEJSWAO-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305206663 382434188 /nfs/dbraw/zinc/43/41/88/382434188.db2.gz YGGYHDCKKNMKEM-AWEZNQCLSA-N 1 1 278.352 2.639 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@H]1O ZINC000352669339 382444883 /nfs/dbraw/zinc/44/48/83/382444883.db2.gz YYOLDDNPRCNIGY-QWHCGFSZSA-N 1 1 284.743 2.593 20 5 CFBDMO COC(C)(C)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708212 382454196 /nfs/dbraw/zinc/45/41/96/382454196.db2.gz FKWYZGLJUUMDDQ-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294227876 382468113 /nfs/dbraw/zinc/46/81/13/382468113.db2.gz NZRFQTDMPBEWHD-CQSZACIVSA-N 1 1 282.315 2.592 20 5 CFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000346693910 382477461 /nfs/dbraw/zinc/47/74/61/382477461.db2.gz QNAYBJHSTOZEKJ-SOFGYWHQSA-N 1 1 277.368 2.525 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+]1C ZINC000421010768 382505503 /nfs/dbraw/zinc/50/55/03/382505503.db2.gz RDXAQRQSAKHMJO-CHWSQXEVSA-N 1 1 277.368 2.682 20 5 CFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821501 382577915 /nfs/dbraw/zinc/57/79/15/382577915.db2.gz RRADFWIOCPZVOY-MFKMUULPSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358394268 382599238 /nfs/dbraw/zinc/59/92/38/382599238.db2.gz GSFCPRUEGGWKRH-LBPRGKRZSA-N 1 1 291.351 2.798 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000353751906 382626416 /nfs/dbraw/zinc/62/64/16/382626416.db2.gz QMBYZCDWUSASIM-INIZCTEOSA-N 1 1 290.363 2.987 20 5 CFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826295 382578200 /nfs/dbraw/zinc/57/82/00/382578200.db2.gz SLXFPCHHWICFCF-WCQYABFASA-N 1 1 298.770 2.841 20 5 CFBDMO CCOCCOCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190255299 382659333 /nfs/dbraw/zinc/65/93/33/382659333.db2.gz HECKLRUIZPNKSB-ZDUSSCGKSA-N 1 1 296.367 2.641 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190438025 382668352 /nfs/dbraw/zinc/66/83/52/382668352.db2.gz ITCBKANEMZIZHR-LBPRGKRZSA-N 1 1 280.393 2.822 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192502874 382709550 /nfs/dbraw/zinc/70/95/50/382709550.db2.gz HTFUEQVFBOIXLU-NSHDSACASA-N 1 1 298.412 2.831 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000193669204 382722398 /nfs/dbraw/zinc/72/23/98/382722398.db2.gz BSOZNROMGOHFBM-UHFFFAOYSA-N 1 1 267.285 2.733 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193698830 382722954 /nfs/dbraw/zinc/72/29/54/382722954.db2.gz NEUNUDSXKRQANR-UHFFFAOYSA-N 1 1 281.312 2.981 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000216573238 382784137 /nfs/dbraw/zinc/78/41/37/382784137.db2.gz KZAHOOYGVLVGAJ-OLZOCXBDSA-N 1 1 261.325 2.634 20 5 CFBDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120402 382789296 /nfs/dbraw/zinc/78/92/96/382789296.db2.gz MLODATIOQPKDCH-GJZGRUSLSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120402 382789297 /nfs/dbraw/zinc/78/92/97/382789297.db2.gz MLODATIOQPKDCH-GJZGRUSLSA-N 1 1 289.379 2.620 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)C2CCC2)c1 ZINC000221164203 382797972 /nfs/dbraw/zinc/79/79/72/382797972.db2.gz KVLMSINMENXHNP-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)C2CCC2)c1 ZINC000221164203 382797974 /nfs/dbraw/zinc/79/79/74/382797974.db2.gz KVLMSINMENXHNP-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1ccc(NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000229327806 382851185 /nfs/dbraw/zinc/85/11/85/382851185.db2.gz ALNHNHVNFROBCC-LLVKDONJSA-N 1 1 263.341 2.798 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887474 382842023 /nfs/dbraw/zinc/84/20/23/382842023.db2.gz QOJCNTGQNHMIMG-SECBINFHSA-N 1 1 285.294 2.769 20 5 CFBDMO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000227889657 382842106 /nfs/dbraw/zinc/84/21/06/382842106.db2.gz GQHBOBPOXZUAEB-MRVPVSSYSA-N 1 1 285.294 2.768 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000227920330 382842278 /nfs/dbraw/zinc/84/22/78/382842278.db2.gz WTEDQULTQDGWFO-JTQLQIEISA-N 1 1 269.320 2.876 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681683 382854951 /nfs/dbraw/zinc/85/49/51/382854951.db2.gz IBBSYKXXTRCZGE-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000577529393 382862679 /nfs/dbraw/zinc/86/26/79/382862679.db2.gz SROMMFGGEHMQNO-ZIAGYGMSSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000577529393 382862681 /nfs/dbraw/zinc/86/26/81/382862681.db2.gz SROMMFGGEHMQNO-ZIAGYGMSSA-N 1 1 298.346 2.972 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000231789421 382866959 /nfs/dbraw/zinc/86/69/59/382866959.db2.gz PPAMARORYRBMJZ-GFCCVEGCSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000337952637 382878649 /nfs/dbraw/zinc/87/86/49/382878649.db2.gz ZMFPNGIWKWMKMB-JTQLQIEISA-N 1 1 275.283 2.980 20 5 CFBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441436438 382914801 /nfs/dbraw/zinc/91/48/01/382914801.db2.gz ODJBKERDIKKPPI-RYUDHWBXSA-N 1 1 294.351 2.713 20 5 CFBDMO Cc1c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000579105475 382983029 /nfs/dbraw/zinc/98/30/29/382983029.db2.gz BLFNUPSLLDFEDH-CQSZACIVSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192416 382969250 /nfs/dbraw/zinc/96/92/50/382969250.db2.gz LCFNASPQJQZEJF-SWLSCSKDSA-N 1 1 278.352 2.811 20 5 CFBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246128249 383063359 /nfs/dbraw/zinc/06/33/59/383063359.db2.gz OOFFSOVFFSDWSI-SMDDNHRTSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246682688 383092378 /nfs/dbraw/zinc/09/23/78/383092378.db2.gz MPKYGRLYYOCZCI-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489402 383177474 /nfs/dbraw/zinc/17/74/74/383177474.db2.gz GPSPAFHQLGLIAV-DOMZBBRYSA-N 1 1 278.352 2.637 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(N(C)C)C1 ZINC000520428332 383256029 /nfs/dbraw/zinc/25/60/29/383256029.db2.gz QYVJFNQCPPXVPA-KPKJPENVSA-N 1 1 289.379 2.680 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000339623296 383265697 /nfs/dbraw/zinc/26/56/97/383265697.db2.gz NPNAVCBGTVHEAG-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO COc1ccc(OCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339625705 383267343 /nfs/dbraw/zinc/26/73/43/383267343.db2.gz DMHKPIPTVHMRTN-UHFFFAOYSA-N 1 1 292.335 2.634 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000248595011 383267862 /nfs/dbraw/zinc/26/78/62/383267862.db2.gz HYMLSLJLTWELST-GDBMZVCRSA-N 1 1 292.379 2.886 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449502553 383338939 /nfs/dbraw/zinc/33/89/39/383338939.db2.gz OSGQDAVYNGLFNG-IUODEOHRSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000449503519 383340297 /nfs/dbraw/zinc/34/02/97/383340297.db2.gz UFVCNIBRSTYYOF-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449504621 383341086 /nfs/dbraw/zinc/34/10/86/383341086.db2.gz QUCSNAMZISBGAC-XHDPSFHLSA-N 1 1 296.342 2.981 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339746039 383304739 /nfs/dbraw/zinc/30/47/39/383304739.db2.gz MLDQIYMRXDMQFX-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339746039 383304743 /nfs/dbraw/zinc/30/47/43/383304743.db2.gz MLDQIYMRXDMQFX-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000252179857 383405903 /nfs/dbraw/zinc/40/59/03/383405903.db2.gz PUMFEBRMURYHCN-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000252443105 383408427 /nfs/dbraw/zinc/40/84/27/383408427.db2.gz PJGZETOIVFOVJW-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000252443105 383408429 /nfs/dbraw/zinc/40/84/29/383408429.db2.gz PJGZETOIVFOVJW-RISCZKNCSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249889445 383366424 /nfs/dbraw/zinc/36/64/24/383366424.db2.gz CBBPOVQINLTOIP-NEPJUHHUSA-N 1 1 279.315 2.773 20 5 CFBDMO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000340520228 383454428 /nfs/dbraw/zinc/45/44/28/383454428.db2.gz PFUAXOCYYCTEHM-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CC(C)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488098696 383495083 /nfs/dbraw/zinc/49/50/83/383495083.db2.gz WKFZQTIYJISRLY-CZUORRHYSA-N 1 1 291.395 2.928 20 5 CFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751972 383573960 /nfs/dbraw/zinc/57/39/60/383573960.db2.gz XDVBPXZFJVLQAF-XJKCOSOUSA-N 1 1 289.379 2.761 20 5 CFBDMO COc1cc(Cn2c[nH+]c3c2CCCC3)ccc1[N+](=O)[O-] ZINC000450981844 383576731 /nfs/dbraw/zinc/57/67/31/383576731.db2.gz ZGKYHQBYAPQCKZ-UHFFFAOYSA-N 1 1 287.319 2.727 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000341138278 383580079 /nfs/dbraw/zinc/58/00/79/383580079.db2.gz LJPYONQAMOIUHM-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000430214469 383590829 /nfs/dbraw/zinc/59/08/29/383590829.db2.gz ZJVHOBNQSQXMNP-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000430214469 383590833 /nfs/dbraw/zinc/59/08/33/383590833.db2.gz ZJVHOBNQSQXMNP-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cccnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570409496 383602044 /nfs/dbraw/zinc/60/20/44/383602044.db2.gz AEJCGXYYDKBDHK-ZDUSSCGKSA-N 1 1 299.330 2.776 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489269756 383602761 /nfs/dbraw/zinc/60/27/61/383602761.db2.gz VENZLXKFEDDQAH-NHYWBVRUSA-N 1 1 276.336 2.503 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000341117310 383570442 /nfs/dbraw/zinc/57/04/42/383570442.db2.gz JWGZFQASJBSMPB-LLVKDONJSA-N 1 1 297.403 2.652 20 5 CFBDMO CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551324 383643526 /nfs/dbraw/zinc/64/35/26/383643526.db2.gz UHBQVZHGIOHAAQ-GDBMZVCRSA-N 1 1 292.379 2.935 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489409843 383616520 /nfs/dbraw/zinc/61/65/20/383616520.db2.gz UTTDIIMGLBHALN-CYBMUJFWSA-N 1 1 264.325 2.704 20 5 CFBDMO COc1cc(C[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1F ZINC000489516555 383625958 /nfs/dbraw/zinc/62/59/58/383625958.db2.gz QCZQQOVHQYASKZ-CYBMUJFWSA-N 1 1 282.315 2.973 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1F ZINC000489516555 383625960 /nfs/dbraw/zinc/62/59/60/383625960.db2.gz QCZQQOVHQYASKZ-CYBMUJFWSA-N 1 1 282.315 2.973 20 5 CFBDMO CC[N@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144529 383754993 /nfs/dbraw/zinc/75/49/93/383754993.db2.gz MSKWCWCBDCNZHU-HNNXBMFYSA-N 1 1 291.395 2.859 20 5 CFBDMO CC[N@@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144529 383754994 /nfs/dbraw/zinc/75/49/94/383754994.db2.gz MSKWCWCBDCNZHU-HNNXBMFYSA-N 1 1 291.395 2.859 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000530865470 383798377 /nfs/dbraw/zinc/79/83/77/383798377.db2.gz PWJWOPZCGGDZBJ-VHDGCEQUSA-N 1 1 292.383 2.692 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000530865471 383798432 /nfs/dbraw/zinc/79/84/32/383798432.db2.gz PWJWOPZCGGDZBJ-YUELXQCFSA-N 1 1 292.383 2.692 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000264909487 383799344 /nfs/dbraw/zinc/79/93/44/383799344.db2.gz FANSBHCPVCMEMK-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1cc(CN2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000265487621 383930689 /nfs/dbraw/zinc/93/06/89/383930689.db2.gz MEIZXBSNZOQWPM-UHFFFAOYSA-N 1 1 292.364 2.759 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496662 383932359 /nfs/dbraw/zinc/93/23/59/383932359.db2.gz WVWXLOZFYZUSNG-HZMBPMFUSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496662 383932364 /nfs/dbraw/zinc/93/23/64/383932364.db2.gz WVWXLOZFYZUSNG-HZMBPMFUSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265522314 383939044 /nfs/dbraw/zinc/93/90/44/383939044.db2.gz MCIFQFOXUAJZKM-SECBINFHSA-N 1 1 284.747 2.538 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000573907810 384008766 /nfs/dbraw/zinc/00/87/66/384008766.db2.gz WPJJGEMTAOOKQU-HNNXBMFYSA-N 1 1 277.368 2.559 20 5 CFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000573907810 384008774 /nfs/dbraw/zinc/00/87/74/384008774.db2.gz WPJJGEMTAOOKQU-HNNXBMFYSA-N 1 1 277.368 2.559 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000532577052 384047297 /nfs/dbraw/zinc/04/72/97/384047297.db2.gz CXZIUTSLALPHQD-CMPLNLGQSA-N 1 1 291.351 2.572 20 5 CFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000266043732 384062707 /nfs/dbraw/zinc/06/27/07/384062707.db2.gz UOHOXIIHCLKMES-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000266286686 384137010 /nfs/dbraw/zinc/13/70/10/384137010.db2.gz VTSSKDUDJUSISX-NEPJUHHUSA-N 1 1 263.341 2.514 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281111575 195107531 /nfs/dbraw/zinc/10/75/31/195107531.db2.gz BGRAWQUNHPJWQA-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281108010 195106644 /nfs/dbraw/zinc/10/66/44/195106644.db2.gz BBBJNPBHWHMDQS-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000266774798 384235705 /nfs/dbraw/zinc/23/57/05/384235705.db2.gz KVVFDYAYQGUXFU-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1ccnc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277483808 384316467 /nfs/dbraw/zinc/31/64/67/384316467.db2.gz RFLSCCILZDREMW-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000267219081 384327972 /nfs/dbraw/zinc/32/79/72/384327972.db2.gz IXRYDJXLKNWMSL-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277695276 384378969 /nfs/dbraw/zinc/37/89/69/384378969.db2.gz RATSTRGUIMLCLB-CYBMUJFWSA-N 1 1 293.367 2.508 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000263923114 285123767 /nfs/dbraw/zinc/12/37/67/285123767.db2.gz WQPVKYWPWKBPPJ-SNVBAGLBSA-N 1 1 290.298 2.841 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660851 384824949 /nfs/dbraw/zinc/82/49/49/384824949.db2.gz QJDZLZBOOYANKG-FZMZJTMJSA-N 1 1 266.341 2.606 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683303 384833213 /nfs/dbraw/zinc/83/32/13/384833213.db2.gz YYPDKYJRFPBQTE-DOMZBBRYSA-N 1 1 280.368 2.996 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000269636630 384815245 /nfs/dbraw/zinc/81/52/45/384815245.db2.gz HOPQGRWBFQPSRZ-DOMZBBRYSA-N 1 1 280.368 2.995 20 5 CFBDMO Cc1ccc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269898976 384897611 /nfs/dbraw/zinc/89/76/11/384897611.db2.gz FGWNXSUCRLDVLV-KBPBESRZSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269898982 384898342 /nfs/dbraw/zinc/89/83/42/384898342.db2.gz FGWNXSUCRLDVLV-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270071933 384966021 /nfs/dbraw/zinc/96/60/21/384966021.db2.gz IEIAERBDCYOLJP-UXIGCNINSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270071931 384966093 /nfs/dbraw/zinc/96/60/93/384966093.db2.gz IEIAERBDCYOLJP-OSAQELSMSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1c(C[N@H+](CC2CCC2)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000280297506 384964065 /nfs/dbraw/zinc/96/40/65/384964065.db2.gz FNRQHXCDZSVIRF-GFCCVEGCSA-N 1 1 292.379 2.886 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](C2CCC2)CC1 ZINC000432336517 285155125 /nfs/dbraw/zinc/15/51/25/285155125.db2.gz PWMSVXWVCPYSES-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCSC1 ZINC000289083260 197230258 /nfs/dbraw/zinc/23/02/58/197230258.db2.gz BARBHXKBSAPTPE-LBPRGKRZSA-N 1 1 280.393 2.822 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282529594 385335012 /nfs/dbraw/zinc/33/50/12/385335012.db2.gz QJVWHAJHHKJTFG-SNVBAGLBSA-N 1 1 284.356 2.919 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000271199778 385373466 /nfs/dbraw/zinc/37/34/66/385373466.db2.gz SUDPMHIEEOMRRU-GXTWGEPZSA-N 1 1 278.352 2.639 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cn1 ZINC000282497282 385326716 /nfs/dbraw/zinc/32/67/16/385326716.db2.gz QNJBBSIYZAUXRL-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000282937282 385413302 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CFBDMO C[N@@H+](CCOC1CCC1)CCc1ccccc1[N+](=O)[O-] ZINC000286940820 385744822 /nfs/dbraw/zinc/74/48/22/385744822.db2.gz NWNXTOBRXOMEFZ-UHFFFAOYSA-N 1 1 278.352 2.638 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)C(C)(C)C ZINC000276650962 386003267 /nfs/dbraw/zinc/00/32/67/386003267.db2.gz ZDJKQQZYJHPSQH-ZDUSSCGKSA-N 1 1 284.331 2.573 20 5 CFBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000276857565 386060295 /nfs/dbraw/zinc/06/02/95/386060295.db2.gz JWWFNNNNPAVXPS-SNVBAGLBSA-N 1 1 284.356 2.919 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281357577 195210423 /nfs/dbraw/zinc/21/04/23/195210423.db2.gz KZVHKYMNMPSGJZ-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281661148 195325889 /nfs/dbraw/zinc/32/58/89/195325889.db2.gz KSBSPGYOVCWPRY-MWLCHTKSSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281661148 195325890 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Cc1c([C@@H](C)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000268932974 132090409 /nfs/dbraw/zinc/09/04/09/132090409.db2.gz SXDYMHHHOFCNBL-CMPLNLGQSA-N 1 1 265.357 2.504 20 5 CFBDMO Cc1c([C@H](C)[NH2+][C@@H](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000269070633 132107775 /nfs/dbraw/zinc/10/77/75/132107775.db2.gz ZXXARTKZAGRDHM-AAEUAGOBSA-N 1 1 279.384 2.894 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179323847 393463624 /nfs/dbraw/zinc/46/36/24/393463624.db2.gz IKHMYEGHPNJRJS-JTQLQIEISA-N 1 1 282.340 2.842 20 5 CFBDMO Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726923 393477242 /nfs/dbraw/zinc/47/72/42/393477242.db2.gz VMOSMAJLTHTQBS-UONOGXRCSA-N 1 1 289.379 2.824 20 5 CFBDMO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000191152259 393589617 /nfs/dbraw/zinc/58/96/17/393589617.db2.gz SDTBLMCUSWKILO-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000191152259 393589618 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C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959972 393785229 /nfs/dbraw/zinc/78/52/29/393785229.db2.gz JYKQSUUPYDPFJV-AGIUHOORSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737050 393870147 /nfs/dbraw/zinc/87/01/47/393870147.db2.gz NUKSQDKDKHSXDQ-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](N[C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737050 393870150 /nfs/dbraw/zinc/87/01/50/393870150.db2.gz NUKSQDKDKHSXDQ-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO CCOCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470212197 393898824 /nfs/dbraw/zinc/89/88/24/393898824.db2.gz RKPNXIMDZDQVBN-RAXLEYEMSA-N 1 1 278.352 2.966 20 5 CFBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749644 393940464 /nfs/dbraw/zinc/94/04/64/393940464.db2.gz FUKLOWOLNCKFPX-QWHCGFSZSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749325 393940801 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CC1=C[C@@H](C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430259209 393973871 /nfs/dbraw/zinc/97/38/71/393973871.db2.gz DYBXIQVHFCWCFZ-GFCCVEGCSA-N 1 1 276.336 2.872 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000265918078 393978044 /nfs/dbraw/zinc/97/80/44/393978044.db2.gz ZOBDMLJSORFRST-UHFFFAOYSA-N 1 1 296.367 2.721 20 5 CFBDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996961 393999098 /nfs/dbraw/zinc/99/90/98/393999098.db2.gz ICZMUSOUUHCTFD-MKBNYLNASA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996961 393999104 /nfs/dbraw/zinc/99/91/04/393999104.db2.gz ICZMUSOUUHCTFD-MKBNYLNASA-N 1 1 289.379 2.728 20 5 CFBDMO CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000125185688 394002901 /nfs/dbraw/zinc/00/29/01/394002901.db2.gz HVDAWCMPRMXMQR-GFCCVEGCSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000125185688 394002902 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CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438357397 394079150 /nfs/dbraw/zinc/07/91/50/394079150.db2.gz XDJRAYKRGRRQBQ-AVGNSLFASA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130530586 394113061 /nfs/dbraw/zinc/11/30/61/394113061.db2.gz AJRZUPQXQSFFJT-LBPRGKRZSA-N 1 1 266.366 2.841 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCSC ZINC000439467496 394116473 /nfs/dbraw/zinc/11/64/73/394116473.db2.gz JJUCPMYBMBQFTB-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000131609017 394136345 /nfs/dbraw/zinc/13/63/45/394136345.db2.gz LAVNFBBQBUCONM-SNVBAGLBSA-N 1 1 279.315 2.630 20 5 CFBDMO CCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135222610 394213206 /nfs/dbraw/zinc/21/32/06/394213206.db2.gz PXJZJLNQZXGYFG-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO CCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135222610 394213210 /nfs/dbraw/zinc/21/32/10/394213210.db2.gz PXJZJLNQZXGYFG-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000291322276 394239408 /nfs/dbraw/zinc/23/94/08/394239408.db2.gz SVALHCIRNCTJHW-OAHLLOKOSA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292867937 394277876 /nfs/dbraw/zinc/27/78/76/394277876.db2.gz STPUHMCVDJENBD-INIZCTEOSA-N 1 1 289.379 2.825 20 5 CFBDMO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526030 394290434 /nfs/dbraw/zinc/29/04/34/394290434.db2.gz KWVCUKXMQUWPKQ-NHYWBVRUSA-N 1 1 277.368 2.763 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581498 394335760 /nfs/dbraw/zinc/33/57/60/394335760.db2.gz NSWIAUXZTRSCDL-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156581498 394335762 /nfs/dbraw/zinc/33/57/62/394335762.db2.gz NSWIAUXZTRSCDL-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000494636709 394361109 /nfs/dbraw/zinc/36/11/09/394361109.db2.gz JIGKJZXSLDCSPT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000494636709 394361110 /nfs/dbraw/zinc/36/11/10/394361110.db2.gz JIGKJZXSLDCSPT-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)CO ZINC000451242595 394370280 /nfs/dbraw/zinc/37/02/80/394370280.db2.gz IZILCCCZUITXSX-NSHDSACASA-N 1 1 266.341 2.606 20 5 CFBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000452107162 394379093 /nfs/dbraw/zinc/37/90/93/394379093.db2.gz RPOWLKADGZGTSB-UHFFFAOYSA-N 1 1 280.372 2.690 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000537292118 394579794 /nfs/dbraw/zinc/57/97/94/394579794.db2.gz VNRYUARTEAUTCC-UHFFFAOYSA-N 1 1 282.303 2.761 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000546810324 394845225 /nfs/dbraw/zinc/84/52/25/394845225.db2.gz AZINOPRNMPPTKI-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421009360 397570916 /nfs/dbraw/zinc/57/09/16/397570916.db2.gz PXWNIISELYPOFX-SWLSCSKDSA-N 1 1 277.368 2.682 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691522 397576984 /nfs/dbraw/zinc/57/69/84/397576984.db2.gz DIZNJMCFICNVKY-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO Cc1ccc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356357458 155238480 /nfs/dbraw/zinc/23/84/80/155238480.db2.gz FYEPFMIXNNHPGG-IUODEOHRSA-N 1 1 292.379 2.886 20 5 CFBDMO CCOc1ccc([C@@H](C)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000348281473 154394252 /nfs/dbraw/zinc/39/42/52/154394252.db2.gz AKRWMQWXYCKSMC-VXGBXAGGSA-N 1 1 295.383 2.594 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000355420306 155004610 /nfs/dbraw/zinc/00/46/10/155004610.db2.gz MKJZDYNAUDJKIY-UHFFFAOYSA-N 1 1 281.356 2.747 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000373759368 157029000 /nfs/dbraw/zinc/02/90/00/157029000.db2.gz HVFBZFSOFGMZQS-LBPRGKRZSA-N 1 1 276.336 2.835 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374681790 157148476 /nfs/dbraw/zinc/14/84/76/157148476.db2.gz WXWSSVRLOGHRII-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375285678 157216831 /nfs/dbraw/zinc/21/68/31/157216831.db2.gz DZSSLKCFKKDBDC-OAHLLOKOSA-N 1 1 290.363 2.675 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000353131321 163313840 /nfs/dbraw/zinc/31/38/40/163313840.db2.gz YSAGDEHDNNXASC-LBPRGKRZSA-N 1 1 283.397 2.620 20 5 CFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353131321 163313843 /nfs/dbraw/zinc/31/38/43/163313843.db2.gz YSAGDEHDNNXASC-LBPRGKRZSA-N 1 1 283.397 2.620 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353447330 163368205 /nfs/dbraw/zinc/36/82/05/163368205.db2.gz JPMDCPDMAHBKKK-YPMHNXCESA-N 1 1 293.367 2.636 20 5 CFBDMO CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353452558 163368662 /nfs/dbraw/zinc/36/86/62/163368662.db2.gz ZXTHEGVUFNLSIE-CQSZACIVSA-N 1 1 288.351 2.807 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266774793 287051895 /nfs/dbraw/zinc/05/18/95/287051895.db2.gz KVVFDYAYQGUXFU-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284315132 196028213 /nfs/dbraw/zinc/02/82/13/196028213.db2.gz ASEVYDITPGAFOA-LSDHHAIUSA-N 1 1 276.336 2.738 20 5 CFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023991619 171429157 /nfs/dbraw/zinc/42/91/57/171429157.db2.gz DBFSQGREOMPROF-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284932232 196160086 /nfs/dbraw/zinc/16/00/86/196160086.db2.gz WGGACUIERALFNF-JKSUJKDBSA-N 1 1 290.363 2.781 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285525196 196314082 /nfs/dbraw/zinc/31/40/82/196314082.db2.gz ZNMJMQLESBCLDT-PHIMTYICSA-N 1 1 284.743 2.857 20 5 CFBDMO CC[C@@H](NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087922 174100593 /nfs/dbraw/zinc/10/05/93/174100593.db2.gz SHAINOOWTVVCPJ-SMDDNHRTSA-N 1 1 265.357 2.586 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000044986318 175284612 /nfs/dbraw/zinc/28/46/12/175284612.db2.gz LJCBIKYESLKLEK-JTQLQIEISA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1c(CNC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134945 175312804 /nfs/dbraw/zinc/31/28/04/175312804.db2.gz JINJZTJNEQUVMU-CQSZACIVSA-N 1 1 291.395 2.723 20 5 CFBDMO Cc1c(CNC[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134944 175312890 /nfs/dbraw/zinc/31/28/90/175312890.db2.gz JINJZTJNEQUVMU-AWEZNQCLSA-N 1 1 291.395 2.723 20 5 CFBDMO COc1ccc(C[NH2+]Cc2ncccc2C)cc1[N+](=O)[O-] ZINC000071340186 176129735 /nfs/dbraw/zinc/12/97/35/176129735.db2.gz UEDNQUDDFWPNIQ-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854525 260213021 /nfs/dbraw/zinc/21/30/21/260213021.db2.gz WOLSHGUHNSPVCQ-GHMZBOCLSA-N 1 1 281.331 2.937 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278248948 263046097 /nfs/dbraw/zinc/04/60/97/263046097.db2.gz OWAQWHKMYVTHHY-UHFFFAOYSA-N 1 1 267.285 2.591 20 5 CFBDMO C[C@@H]1CC[N@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999643 265290980 /nfs/dbraw/zinc/29/09/80/265290980.db2.gz IQGLWTBOSSWHIJ-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999643 265290984 /nfs/dbraw/zinc/29/09/84/265290984.db2.gz IQGLWTBOSSWHIJ-IUODEOHRSA-N 1 1 289.379 2.514 20 5 CFBDMO Cc1nocc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339183969 270301345 /nfs/dbraw/zinc/30/13/45/270301345.db2.gz GFYYRDGXXUSALT-VIFPVBQESA-N 1 1 261.281 2.742 20 5 CFBDMO Cc1c(C[NH2+][C@H](C)c2ccncn2)cccc1[N+](=O)[O-] ZINC000395874830 270313451 /nfs/dbraw/zinc/31/34/51/270313451.db2.gz ALAJDCIBXMETQC-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000396022168 270314587 /nfs/dbraw/zinc/31/45/87/270314587.db2.gz LFYGGDJEPGIKBB-WDEREUQCSA-N 1 1 272.308 2.797 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000364599597 275035316 /nfs/dbraw/zinc/03/53/16/275035316.db2.gz AKCOIEUABMQBRO-ZDUSSCGKSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368693415 275035722 /nfs/dbraw/zinc/03/57/22/275035722.db2.gz RYJBCKDPAWTRDU-ZWNOBZJWSA-N 1 1 291.307 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368693415 275035724 /nfs/dbraw/zinc/03/57/24/275035724.db2.gz RYJBCKDPAWTRDU-ZWNOBZJWSA-N 1 1 291.307 2.877 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292649850 277072516 /nfs/dbraw/zinc/07/25/16/277072516.db2.gz BOPHFBNSPSWTGX-OAHLLOKOSA-N 1 1 293.342 2.656 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000268816375 277084499 /nfs/dbraw/zinc/08/44/99/277084499.db2.gz IMGMHDVMQMFGLL-WFASDCNBSA-N 1 1 275.352 2.515 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292649843 277087053 /nfs/dbraw/zinc/08/70/53/277087053.db2.gz BOPHFBNSPSWTGX-HNNXBMFYSA-N 1 1 293.342 2.656 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000364300893 277146722 /nfs/dbraw/zinc/14/67/22/277146722.db2.gz HCDQRWFVSWHULY-YGRLFVJLSA-N 1 1 295.770 2.779 20 5 CFBDMO CO[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000170819817 277337079 /nfs/dbraw/zinc/33/70/79/277337079.db2.gz OOFFSOVFFSDWSI-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648976 278354748 /nfs/dbraw/zinc/35/47/48/278354748.db2.gz WGFMZHYTQZWONB-CHWSQXEVSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648976 278354749 /nfs/dbraw/zinc/35/47/49/278354749.db2.gz WGFMZHYTQZWONB-CHWSQXEVSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747742 278374906 /nfs/dbraw/zinc/37/49/06/278374906.db2.gz GIZOUVONZHFMMI-ZWNOBZJWSA-N 1 1 286.335 2.526 20 5 CFBDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000061320426 280460415 /nfs/dbraw/zinc/46/04/15/280460415.db2.gz NVEYJQLWRHRJRB-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO CCC[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249286374 281054968 /nfs/dbraw/zinc/05/49/68/281054968.db2.gz POUGXSRPPUSXRF-NWDGAFQWSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249355247 281055773 /nfs/dbraw/zinc/05/57/73/281055773.db2.gz AAGOTILASYMVFV-AXFHLTTASA-N 1 1 298.412 2.830 20 5 CFBDMO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989380 281322360 /nfs/dbraw/zinc/32/23/60/281322360.db2.gz RVFJIKXWDAMVNV-UWVGGRQHSA-N 1 1 280.324 2.595 20 5 CFBDMO COc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000548097653 281768361 /nfs/dbraw/zinc/76/83/61/281768361.db2.gz OSEYAUJSFHHFGB-UWVGGRQHSA-N 1 1 250.298 2.586 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnccn2)cc1[N+](=O)[O-] ZINC000560604731 282036201 /nfs/dbraw/zinc/03/62/01/282036201.db2.gz ULASWJMENGCGHD-LLVKDONJSA-N 1 1 272.308 2.544 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000564365305 290206116 /nfs/dbraw/zinc/20/61/16/290206116.db2.gz XYFASZTVZIPWNY-CQSZACIVSA-N 1 1 291.395 2.867 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000564565499 290215641 /nfs/dbraw/zinc/21/56/41/290215641.db2.gz VKIIHOJMFKAGJK-CYBMUJFWSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1cccnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570409495 322531750 /nfs/dbraw/zinc/53/17/50/322531750.db2.gz AEJCGXYYDKBDHK-CYBMUJFWSA-N 1 1 299.330 2.776 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn(C)n1 ZINC000575072397 322717427 /nfs/dbraw/zinc/71/74/27/322717427.db2.gz ZSQIEWOCYHCABK-IINYFYTJSA-N 1 1 286.335 2.666 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000580960419 325078308 /nfs/dbraw/zinc/07/83/08/325078308.db2.gz MRWRQMUPWWOYOE-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583628712 325299943 /nfs/dbraw/zinc/29/99/43/325299943.db2.gz RSJHZDIKAMNQEY-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583628712 325299946 /nfs/dbraw/zinc/29/99/46/325299946.db2.gz RSJHZDIKAMNQEY-YGRLFVJLSA-N 1 1 296.754 2.859 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000311422759 519629563 /nfs/dbraw/zinc/62/95/63/519629563.db2.gz KZTKWMRWYRUBJF-VIFPVBQESA-N 1 1 286.763 2.784 20 5 CFBDMO CCC[C@@H](N[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730691 520790188 /nfs/dbraw/zinc/79/01/88/520790188.db2.gz YCZZKACNIIIGEV-IUODEOHRSA-N 1 1 279.384 2.976 20 5 CFBDMO Cc1ccc(C[NH2+]C[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000414832668 534062679 /nfs/dbraw/zinc/06/26/79/534062679.db2.gz OOBCBIIGKLRJOF-OAHLLOKOSA-N 1 1 285.347 2.693 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnn(C)c1 ZINC000027214858 534093856 /nfs/dbraw/zinc/09/38/56/534093856.db2.gz UDXMPXVHWOSENG-NSHDSACASA-N 1 1 274.324 2.521 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027214858 534093864 /nfs/dbraw/zinc/09/38/64/534093864.db2.gz UDXMPXVHWOSENG-NSHDSACASA-N 1 1 274.324 2.521 20 5 CFBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083418189 520469524 /nfs/dbraw/zinc/46/95/24/520469524.db2.gz KCXLKBKQYMIOMI-UHFFFAOYSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218840784 521649511 /nfs/dbraw/zinc/64/95/11/521649511.db2.gz XPNFGSZMBMOTPA-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000255593895 522406815 /nfs/dbraw/zinc/40/68/15/522406815.db2.gz YMGGRGDQGRHIOK-VCDPDADVSA-N 1 1 290.363 2.966 20 5 CFBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000073616804 523740150 /nfs/dbraw/zinc/74/01/50/523740150.db2.gz MFHFOOOECHYALJ-UHFFFAOYSA-N 1 1 296.367 2.708 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000311565221 523922632 /nfs/dbraw/zinc/92/26/32/523922632.db2.gz DLUHATSJHRIOFV-JTQLQIEISA-N 1 1 269.320 2.876 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000061555327 524037107 /nfs/dbraw/zinc/03/71/07/524037107.db2.gz VSXUZMZULKZBJW-UHFFFAOYSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388025 524295994 /nfs/dbraw/zinc/29/59/94/524295994.db2.gz JTZYVMLCZGPWPZ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388025 524296002 /nfs/dbraw/zinc/29/60/02/524296002.db2.gz JTZYVMLCZGPWPZ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156164376 524929850 /nfs/dbraw/zinc/92/98/50/524929850.db2.gz DXMRZNYNFLWFHH-VHSXEESVSA-N 1 1 267.304 2.629 20 5 CFBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173495492 524954934 /nfs/dbraw/zinc/95/49/34/524954934.db2.gz OORYEZSVRBWLJY-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO C[C@@H](NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000049574428 525449053 /nfs/dbraw/zinc/44/90/53/525449053.db2.gz DTVSCWWSLOTLRG-CYBMUJFWSA-N 1 1 277.368 2.731 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473528 /nfs/dbraw/zinc/47/35/28/536473528.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 1 1 289.379 2.511 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000425989119 527529143 /nfs/dbraw/zinc/52/91/43/527529143.db2.gz JDSIVZRRRLRQDS-OSEPDQNXSA-N 1 1 290.363 2.701 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175176299 528429575 /nfs/dbraw/zinc/42/95/75/528429575.db2.gz KGQNMBVONYNYKG-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO CC(C)C[C@H](CN)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265338 528519552 /nfs/dbraw/zinc/51/95/52/528519552.db2.gz QUERPOLDCDTCNP-CZUORRHYSA-N 1 1 291.395 2.935 20 5 CFBDMO CC(C)C[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000746061602 574132115 /nfs/dbraw/zinc/13/21/15/574132115.db2.gz GTHPZCKICNPXTJ-UHFFFAOYSA-N 1 1 288.351 2.907 20 5 CFBDMO CC(C)C[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000746061602 574132117 /nfs/dbraw/zinc/13/21/17/574132117.db2.gz GTHPZCKICNPXTJ-UHFFFAOYSA-N 1 1 288.351 2.907 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049998 574132255 /nfs/dbraw/zinc/13/22/55/574132255.db2.gz ZYSQFEMSHPYTBJ-STQMWFEESA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049998 574132257 /nfs/dbraw/zinc/13/22/57/574132257.db2.gz ZYSQFEMSHPYTBJ-STQMWFEESA-N 1 1 277.368 2.730 20 5 CFBDMO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000733191082 574210276 /nfs/dbraw/zinc/21/02/76/574210276.db2.gz OXWONSZSJHZXIE-GFCCVEGCSA-N 1 1 295.770 2.921 20 5 CFBDMO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000748098885 574229250 /nfs/dbraw/zinc/22/92/50/574229250.db2.gz QVBRETKQQXYICJ-UHFFFAOYSA-N 1 1 279.727 2.877 20 5 CFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725803370 574311541 /nfs/dbraw/zinc/31/15/41/574311541.db2.gz JRTJIBDLMMJWEL-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725803370 574311544 /nfs/dbraw/zinc/31/15/44/574311544.db2.gz JRTJIBDLMMJWEL-SECBINFHSA-N 1 1 297.742 2.529 20 5 CFBDMO Cn1cccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743498695 574367048 /nfs/dbraw/zinc/36/70/48/574367048.db2.gz QVTCJZXZOWOXPN-UHFFFAOYSA-N 1 1 279.727 2.877 20 5 CFBDMO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC(C)C ZINC000891619676 617687986 /nfs/dbraw/zinc/68/79/86/617687986.db2.gz HJDDSBRLHYTJNI-UHFFFAOYSA-N 1 1 282.340 2.787 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000892222057 618010217 /nfs/dbraw/zinc/01/02/17/618010217.db2.gz MXUIFXZYPVEDGD-NSHDSACASA-N 1 1 294.351 2.787 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580930658 618141217 /nfs/dbraw/zinc/14/12/17/618141217.db2.gz WYASJXQTGRLJLV-AWEZNQCLSA-N 1 1 283.331 2.979 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000892403264 618228561 /nfs/dbraw/zinc/22/85/61/618228561.db2.gz KSEOVFWHQPKYOA-LLVKDONJSA-N 1 1 280.324 2.539 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357863 618466834 /nfs/dbraw/zinc/46/68/34/618466834.db2.gz UPDNIPIZCVJASV-LLVKDONJSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357863 618466837 /nfs/dbraw/zinc/46/68/37/618466837.db2.gz UPDNIPIZCVJASV-LLVKDONJSA-N 1 1 297.786 2.822 20 5 CFBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093097802 618979207 /nfs/dbraw/zinc/97/92/07/618979207.db2.gz KEQQKKXHRTYHEO-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H]([NH3+])C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633656 619041584 /nfs/dbraw/zinc/04/15/84/619041584.db2.gz VSJQMLDVIIESAI-SNVBAGLBSA-N 1 1 297.786 2.807 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)C[NH3+] ZINC000093861253 619062802 /nfs/dbraw/zinc/06/28/02/619062802.db2.gz FHUHEXOWOAAUFO-LLVKDONJSA-N 1 1 265.357 2.573 20 5 CFBDMO C[C@@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925826415 619153737 /nfs/dbraw/zinc/15/37/37/619153737.db2.gz MKNFFIOTRSWFKC-HONMWMINSA-N 1 1 275.352 2.515 20 5 CFBDMO O=[N+]([O-])CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000791053633 619274796 /nfs/dbraw/zinc/27/47/96/619274796.db2.gz UVUCKQPNYZSFFZ-UHFFFAOYSA-N 1 1 299.168 2.690 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000791053633 619274799 /nfs/dbraw/zinc/27/47/99/619274799.db2.gz UVUCKQPNYZSFFZ-UHFFFAOYSA-N 1 1 299.168 2.690 20 5 CFBDMO C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000895565000 619559261 /nfs/dbraw/zinc/55/92/61/619559261.db2.gz RXEMVNMMYZSVBA-SOFGYWHQSA-N 1 1 289.379 2.634 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737282 619597165 /nfs/dbraw/zinc/59/71/65/619597165.db2.gz PCAPUGFVMMWNJK-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000895737246 619597460 /nfs/dbraw/zinc/59/74/60/619597460.db2.gz OEHUZGJBEYEHME-IINYFYTJSA-N 1 1 286.335 2.648 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737643 619597847 /nfs/dbraw/zinc/59/78/47/619597847.db2.gz QKERWWCGTHVIMU-SCZZXKLOSA-N 1 1 299.758 2.761 20 5 CFBDMO C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000895765952 619598603 /nfs/dbraw/zinc/59/86/03/619598603.db2.gz SBWUSZOYYTVSBP-LLVKDONJSA-N 1 1 287.319 2.758 20 5 CFBDMO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000895831724 619619083 /nfs/dbraw/zinc/61/90/83/619619083.db2.gz AIHALIMJJLNGMG-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](C)CC1 ZINC000896580414 619766342 /nfs/dbraw/zinc/76/63/42/619766342.db2.gz UFMVIMKAHNBQKI-GFCCVEGCSA-N 1 1 278.352 2.822 20 5 CFBDMO COc1ccc2cc(C[N@H+](C)CC[N+](=O)[O-])ccc2c1 ZINC000929179659 620407496 /nfs/dbraw/zinc/40/74/96/620407496.db2.gz IQMDAQNFZLIYSI-UHFFFAOYSA-N 1 1 274.320 2.557 20 5 CFBDMO COc1ccc2cc(C[N@@H+](C)CC[N+](=O)[O-])ccc2c1 ZINC000929179659 620407498 /nfs/dbraw/zinc/40/74/98/620407498.db2.gz IQMDAQNFZLIYSI-UHFFFAOYSA-N 1 1 274.320 2.557 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899911446 620612353 /nfs/dbraw/zinc/61/23/53/620612353.db2.gz REWAHKBGHNABKZ-ZDUSSCGKSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000899911446 620612355 /nfs/dbraw/zinc/61/23/55/620612355.db2.gz REWAHKBGHNABKZ-ZDUSSCGKSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431619 621077636 /nfs/dbraw/zinc/07/76/36/621077636.db2.gz SZXXWKIYJKSQHP-DFBGVHRSSA-N 1 1 289.379 2.558 20 5 CFBDMO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431619 621077640 /nfs/dbraw/zinc/07/76/40/621077640.db2.gz SZXXWKIYJKSQHP-DFBGVHRSSA-N 1 1 289.379 2.558 20 5 CFBDMO Cc1ccc(C[C@H]([NH2+]CC[N+](=O)[O-])c2ccccn2)cc1 ZINC000905122493 621703942 /nfs/dbraw/zinc/70/39/42/621703942.db2.gz PKDYKHICELANEU-INIZCTEOSA-N 1 1 285.347 2.540 20 5 CFBDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905158038 621706125 /nfs/dbraw/zinc/70/61/25/621706125.db2.gz DBHFPVSKVBVWPY-GFCCVEGCSA-N 1 1 266.341 2.539 20 5 CFBDMO Cn1c2ccc(NCC[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000905330854 621749191 /nfs/dbraw/zinc/74/91/91/621749191.db2.gz UJZKWQFBCBFFAK-UHFFFAOYSA-N 1 1 276.340 2.559 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1OCC[C@H]1CCCC[N@H+]1C ZINC000906498804 621993550 /nfs/dbraw/zinc/99/35/50/621993550.db2.gz FDGIXYIEXDYQSA-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO COc1ccc(OCC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000906508602 621995330 /nfs/dbraw/zinc/99/53/30/621995330.db2.gz ZKWMSSGLKOMBQD-GFCCVEGCSA-N 1 1 294.351 2.857 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOc1c(F)cccc1[N+](=O)[O-] ZINC000906503069 621999032 /nfs/dbraw/zinc/99/90/32/621999032.db2.gz NEBIXHSXOIQNNX-LLVKDONJSA-N 1 1 282.315 2.987 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171997734 623250938 /nfs/dbraw/zinc/25/09/38/623250938.db2.gz SGHVJYXULMNTGN-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171997733 623251050 /nfs/dbraw/zinc/25/10/50/623251050.db2.gz SGHVJYXULMNTGN-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000172850562 623312408 /nfs/dbraw/zinc/31/24/08/623312408.db2.gz UPIXHYQWBYDWQR-SMDDNHRTSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000172919447 623317537 /nfs/dbraw/zinc/31/75/37/623317537.db2.gz SJYOHVZHORUDHY-QWRGUYRKSA-N 1 1 280.372 2.876 20 5 CFBDMO CCC[C@@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173537676 623354063 /nfs/dbraw/zinc/35/40/63/623354063.db2.gz WHMYOWADVQDXEA-ZDUSSCGKSA-N 1 1 266.345 2.651 20 5 CFBDMO CCC[C@@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173537676 623354071 /nfs/dbraw/zinc/35/40/71/623354071.db2.gz WHMYOWADVQDXEA-ZDUSSCGKSA-N 1 1 266.345 2.651 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCn2ccnc21 ZINC000824522580 623515220 /nfs/dbraw/zinc/51/52/20/623515220.db2.gz XEKLMFUEWAYVKO-LQPUYASZSA-N 1 1 284.319 2.539 20 5 CFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635569 623536306 /nfs/dbraw/zinc/53/63/06/623536306.db2.gz IGBQLNBTBVFSOH-AAEUAGOBSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568400 623899962 /nfs/dbraw/zinc/89/99/62/623899962.db2.gz HHDAEMYZLDSEDM-LLVKDONJSA-N 1 1 268.361 2.732 20 5 CFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C/C=C/CO ZINC000826943748 623913070 /nfs/dbraw/zinc/91/30/70/623913070.db2.gz ZSJQYAVROPILDP-OWOJBTEDSA-N 1 1 291.134 2.540 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000915208262 623998798 /nfs/dbraw/zinc/99/87/98/623998798.db2.gz DEKBZBOHQALRBK-XBFCOCLRSA-N 1 1 278.356 2.649 20 5 CFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000828987531 624349167 /nfs/dbraw/zinc/34/91/67/624349167.db2.gz GULNQJGLGYJRPK-MFKMUULPSA-N 1 1 295.770 2.697 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000174959206 624918844 /nfs/dbraw/zinc/91/88/44/624918844.db2.gz NUKRYMJFYIYMQJ-GHMZBOCLSA-N 1 1 274.324 2.632 20 5 CFBDMO CC[N@@H+](CCSC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830994404 624949286 /nfs/dbraw/zinc/94/92/86/624949286.db2.gz OHIWRUCPULCWOU-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000179633588 624971664 /nfs/dbraw/zinc/97/16/64/624971664.db2.gz MEBDVSUNMLHISZ-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO CC(C)CC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000068961160 625041097 /nfs/dbraw/zinc/04/10/97/625041097.db2.gz VZFPWIFUAYWERJ-UHFFFAOYSA-N 1 1 276.340 2.880 20 5 CFBDMO [NH3+]CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171165 625278895 /nfs/dbraw/zinc/27/88/95/625278895.db2.gz PKGODBUSCRUNMU-NSHDSACASA-N 1 1 297.786 2.809 20 5 CFBDMO CCc1ncc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000834898486 625914732 /nfs/dbraw/zinc/91/47/32/625914732.db2.gz DSUBZIZVZLORFZ-VIFPVBQESA-N 1 1 290.323 2.578 20 5 CFBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658368 626549721 /nfs/dbraw/zinc/54/97/21/626549721.db2.gz LXVGVHNZXCRIEU-RISCZKNCSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919961 626702023 /nfs/dbraw/zinc/70/20/23/626702023.db2.gz AMHNYWISOYXDPC-WFASDCNBSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924706 626702557 /nfs/dbraw/zinc/70/25/57/626702557.db2.gz ZGPQSOWEKPQKIR-SWLSCSKDSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293132 626821798 /nfs/dbraw/zinc/82/17/98/626821798.db2.gz RMBUOQKQFSBICA-MNOVXSKESA-N 1 1 288.351 2.941 20 5 CFBDMO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000762138805 626895853 /nfs/dbraw/zinc/89/58/53/626895853.db2.gz MRJWGKSWRKBYSF-JTQLQIEISA-N 1 1 278.356 2.630 20 5 CFBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000762138805 626895856 /nfs/dbraw/zinc/89/58/56/626895856.db2.gz MRJWGKSWRKBYSF-JTQLQIEISA-N 1 1 278.356 2.630 20 5 CFBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000768237328 627327796 /nfs/dbraw/zinc/32/77/96/627327796.db2.gz OTXMZUOIFLTNGJ-UHFFFAOYSA-N 1 1 280.324 2.596 20 5 CFBDMO CCC[N@@H+](CC)CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000771231735 627586358 /nfs/dbraw/zinc/58/63/58/627586358.db2.gz RXMIWJCAWNEBRH-UHFFFAOYSA-N 1 1 299.346 2.886 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000774534784 627935785 /nfs/dbraw/zinc/93/57/85/627935785.db2.gz SWMQSTQJOYLLON-SWLSCSKDSA-N 1 1 277.368 2.904 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774914830 627979400 /nfs/dbraw/zinc/97/94/00/627979400.db2.gz RTKGTERKOIGGPE-NSHDSACASA-N 1 1 293.323 2.981 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277076 628125016 /nfs/dbraw/zinc/12/50/16/628125016.db2.gz NMAQEDLSBOJEAJ-RISCZKNCSA-N 1 1 280.368 2.995 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273911 628125082 /nfs/dbraw/zinc/12/50/82/628125082.db2.gz BJGFAQLKQSXAPG-SMDDNHRTSA-N 1 1 266.341 2.749 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000776580074 628160568 /nfs/dbraw/zinc/16/05/68/628160568.db2.gz QVVWXPIQSXCAKG-WFASDCNBSA-N 1 1 280.368 2.995 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585963 628161635 /nfs/dbraw/zinc/16/16/35/628161635.db2.gz FOBIKTCNIBNOSL-LSDHHAIUSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593502 628163092 /nfs/dbraw/zinc/16/30/92/628163092.db2.gz XBPUZTSDLYIHAQ-UKRRQHHQSA-N 1 1 278.352 2.606 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592561 628163115 /nfs/dbraw/zinc/16/31/15/628163115.db2.gz PWIQCIYJFWBKMB-SWLSCSKDSA-N 1 1 280.368 2.996 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779860123 628414699 /nfs/dbraw/zinc/41/46/99/628414699.db2.gz TVOJYWKKULCEAP-LBPRGKRZSA-N 1 1 280.372 2.958 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867776 628415387 /nfs/dbraw/zinc/41/53/87/628415387.db2.gz DCSAERXVBVBETO-LLVKDONJSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867776 628415389 /nfs/dbraw/zinc/41/53/89/628415389.db2.gz DCSAERXVBVBETO-LLVKDONJSA-N 1 1 278.356 2.569 20 5 CFBDMO CCC1(CC)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779864516 628415464 /nfs/dbraw/zinc/41/54/64/628415464.db2.gz CLAPNHWTZSIWEX-UHFFFAOYSA-N 1 1 266.345 2.569 20 5 CFBDMO CCC1(CC)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779864516 628415467 /nfs/dbraw/zinc/41/54/67/628415467.db2.gz CLAPNHWTZSIWEX-UHFFFAOYSA-N 1 1 266.345 2.569 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783679523 628734046 /nfs/dbraw/zinc/73/40/46/628734046.db2.gz JSAOBBMEWMRQCJ-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1cccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000784024213 628765097 /nfs/dbraw/zinc/76/50/97/628765097.db2.gz CYRWVNMLGLPVME-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000784024213 628765101 /nfs/dbraw/zinc/76/51/01/628765101.db2.gz CYRWVNMLGLPVME-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cccc([C@@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC000784028986 628766135 /nfs/dbraw/zinc/76/61/35/628766135.db2.gz YYCFKELLRPCHSY-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cccc([C@@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC000784028986 628766139 /nfs/dbraw/zinc/76/61/39/628766139.db2.gz YYCFKELLRPCHSY-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514053 628823327 /nfs/dbraw/zinc/82/33/27/628823327.db2.gz XKFPOPXXXVQOIX-DZGCQCFKSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000852214086 634692378 /nfs/dbraw/zinc/69/23/78/634692378.db2.gz SIISYWIDNRVIBF-LLVKDONJSA-N 1 1 287.266 2.512 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000852214086 634692383 /nfs/dbraw/zinc/69/23/83/634692383.db2.gz SIISYWIDNRVIBF-LLVKDONJSA-N 1 1 287.266 2.512 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000785736769 628909511 /nfs/dbraw/zinc/90/95/11/628909511.db2.gz XKWOCWSECROTQS-VXGBXAGGSA-N 1 1 292.335 2.511 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794704970 629677292 /nfs/dbraw/zinc/67/72/92/629677292.db2.gz HKCNORMWWOFICJ-LLVKDONJSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794705553 629677654 /nfs/dbraw/zinc/67/76/54/629677654.db2.gz KZXXTMFCYFRFMN-LLVKDONJSA-N 1 1 266.345 2.507 20 5 CFBDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000797605174 630088579 /nfs/dbraw/zinc/08/85/79/630088579.db2.gz NRCHDMASOIBZHH-SNVBAGLBSA-N 1 1 291.307 2.901 20 5 CFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000797605174 630088585 /nfs/dbraw/zinc/08/85/85/630088585.db2.gz NRCHDMASOIBZHH-SNVBAGLBSA-N 1 1 291.307 2.901 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC=C(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797822990 630108590 /nfs/dbraw/zinc/10/85/90/630108590.db2.gz IWHPKGCXKVWCHE-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO Cc1nn(C[N@H+]2CCC=C(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797822990 630108595 /nfs/dbraw/zinc/10/85/95/630108595.db2.gz IWHPKGCXKVWCHE-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852700370 634810426 /nfs/dbraw/zinc/81/04/26/634810426.db2.gz NILRVYFMFOEAHE-MJVCVBRESA-N 1 1 290.363 2.891 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1F ZINC000801520915 630452451 /nfs/dbraw/zinc/45/24/51/630452451.db2.gz KLHACFIEIHCQLK-GXTWGEPZSA-N 1 1 294.326 2.735 20 5 CFBDMO Nc1ccc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000804389672 630678849 /nfs/dbraw/zinc/67/88/49/630678849.db2.gz WNJHZEPEAHFCNN-UHFFFAOYSA-N 1 1 298.346 2.605 20 5 CFBDMO CSCC[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246283702 649985002 /nfs/dbraw/zinc/98/50/02/649985002.db2.gz NYKWWFMKFUHOQE-SMDDNHRTSA-N 1 1 298.408 2.702 20 5 CFBDMO CC(C)CC1(C)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000808231505 630969572 /nfs/dbraw/zinc/96/95/72/630969572.db2.gz JCDGIMGZFYXTPO-UHFFFAOYSA-N 1 1 280.372 2.897 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778553 631046646 /nfs/dbraw/zinc/04/66/46/631046646.db2.gz ZRXUDHNMZHZDTD-HOCLYGCPSA-N 1 1 290.363 2.750 20 5 CFBDMO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028041 631309464 /nfs/dbraw/zinc/30/94/64/631309464.db2.gz JZQXQYXLNKHPMP-AAEUAGOBSA-N 1 1 297.786 2.855 20 5 CFBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000811454854 631565681 /nfs/dbraw/zinc/56/56/81/631565681.db2.gz QDRUPQWRQMSXCW-UHFFFAOYSA-N 1 1 280.324 2.612 20 5 CFBDMO CC[N@@H+](CCNc1cc([N+](=O)[O-])ccc1C(C)=O)C(C)C ZINC000811798443 631624015 /nfs/dbraw/zinc/62/40/15/631624015.db2.gz IVUBESCNOJRXCI-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO Cc1ccc(-c2noc([C@@H]([NH3+])CC(F)F)n2)cc1[N+](=O)[O-] ZINC000843178787 631881087 /nfs/dbraw/zinc/88/10/87/631881087.db2.gz KJWWTGFVTAROOJ-QMMMGPOBSA-N 1 1 298.249 2.608 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452844 632217529 /nfs/dbraw/zinc/21/75/29/632217529.db2.gz NYGZFEUAODVZDD-KPXOXKRLSA-N 1 1 268.263 2.853 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452844 632217532 /nfs/dbraw/zinc/21/75/32/632217532.db2.gz NYGZFEUAODVZDD-KPXOXKRLSA-N 1 1 268.263 2.853 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000815164020 632220860 /nfs/dbraw/zinc/22/08/60/632220860.db2.gz UBFPCTPINALPGM-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000815164020 632220862 /nfs/dbraw/zinc/22/08/62/632220862.db2.gz UBFPCTPINALPGM-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815583959 632292342 /nfs/dbraw/zinc/29/23/42/632292342.db2.gz RVFXFMOPZRMEME-VIFPVBQESA-N 1 1 292.364 2.793 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597917 632295140 /nfs/dbraw/zinc/29/51/40/632295140.db2.gz IVMYVDVGXLTZEA-SECBINFHSA-N 1 1 290.298 2.562 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[N@H+]1C ZINC000817417893 632627626 /nfs/dbraw/zinc/62/76/26/632627626.db2.gz VXVAHZZNXHHQSE-LBPRGKRZSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000848518975 633273328 /nfs/dbraw/zinc/27/33/28/633273328.db2.gz KGKUPHGHZHGBAI-GMSGAONNSA-N 1 1 283.715 2.903 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000848520196 633274182 /nfs/dbraw/zinc/27/41/82/633274182.db2.gz NZUQTUUJPDQXBS-MWLCHTKSSA-N 1 1 293.323 2.648 20 5 CFBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000848929078 633412601 /nfs/dbraw/zinc/41/26/01/633412601.db2.gz SJURLTLGRBWAHN-VIFPVBQESA-N 1 1 284.743 2.593 20 5 CFBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000853590379 635043796 /nfs/dbraw/zinc/04/37/96/635043796.db2.gz UUSIYXTXZFSLBE-CYBMUJFWSA-N 1 1 278.356 2.569 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000853590379 635043800 /nfs/dbraw/zinc/04/38/00/635043800.db2.gz UUSIYXTXZFSLBE-CYBMUJFWSA-N 1 1 278.356 2.569 20 5 CFBDMO CC(C)CC(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853660180 635065073 /nfs/dbraw/zinc/06/50/73/635065073.db2.gz VYASYVSOILDMHV-UHFFFAOYSA-N 1 1 287.266 2.918 20 5 CFBDMO CC[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000853687319 635075136 /nfs/dbraw/zinc/07/51/36/635075136.db2.gz SPZOTVOOAXKZFO-SNVBAGLBSA-N 1 1 299.321 2.794 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000859565841 636603727 /nfs/dbraw/zinc/60/37/27/636603727.db2.gz SOOXLXJSBRZSKC-UHFFFAOYSA-N 1 1 284.743 2.717 20 5 CFBDMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000048579947 650271717 /nfs/dbraw/zinc/27/17/17/650271717.db2.gz FJCZELIHTWFWGB-UHFFFAOYSA-N 1 1 297.742 2.529 20 5 CFBDMO CC(C)c1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861389384 637187532 /nfs/dbraw/zinc/18/75/32/637187532.db2.gz KJDTWTWQTCLFOO-UHFFFAOYSA-N 1 1 292.335 2.581 20 5 CFBDMO C[C@@H](C[N@H+](C)Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000863315322 637624511 /nfs/dbraw/zinc/62/45/11/637624511.db2.gz SEPJBPIZKSFYGF-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO C[C@@H](C[N@@H+](C)Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000863315322 637624518 /nfs/dbraw/zinc/62/45/18/637624518.db2.gz SEPJBPIZKSFYGF-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO C[C@H](C[N@H+](C)Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000863315321 637624654 /nfs/dbraw/zinc/62/46/54/637624654.db2.gz SEPJBPIZKSFYGF-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO C[C@H](C[N@@H+](C)Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000863315321 637624663 /nfs/dbraw/zinc/62/46/63/637624663.db2.gz SEPJBPIZKSFYGF-GFCCVEGCSA-N 1 1 280.372 2.897 20 5 CFBDMO CCc1[nH+]c(C)cn1Cc1csc([N+](=O)[O-])c1 ZINC000865393185 638304035 /nfs/dbraw/zinc/30/40/35/638304035.db2.gz WZMAMKKPTJZGQD-UHFFFAOYSA-N 1 1 251.311 2.772 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3COC4(CCC4)C3)c2c1 ZINC000865941300 638668497 /nfs/dbraw/zinc/66/84/97/638668497.db2.gz XXFMKHRXHKRMCQ-NSHDSACASA-N 1 1 299.330 2.688 20 5 CFBDMO NC(=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000871765714 641449129 /nfs/dbraw/zinc/44/91/29/641449129.db2.gz JNEHVKIBJQRPDG-UHFFFAOYSA-N 1 1 285.250 2.672 20 5 CFBDMO COc1cc(CO[NH+]=C(N)C2CCC2)c([N+](=O)[O-])cc1F ZINC000871766655 641449375 /nfs/dbraw/zinc/44/93/75/641449375.db2.gz YKMUWMDWBUNJNC-UHFFFAOYSA-N 1 1 297.286 2.541 20 5 CFBDMO Cn1c[nH+]cc1CCOc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871801393 641465633 /nfs/dbraw/zinc/46/56/33/641465633.db2.gz RWQQXQCJRYXPKD-UHFFFAOYSA-N 1 1 299.689 2.742 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)[NH+](C)C ZINC000872033942 641564689 /nfs/dbraw/zinc/56/46/89/641564689.db2.gz KLPSPVTVKFZZNM-QWRGUYRKSA-N 1 1 297.424 2.917 20 5 CFBDMO Cc1c(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133767 642024169 /nfs/dbraw/zinc/02/41/69/642024169.db2.gz GSGLKADDNQVWQG-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1c(CNC[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133767 642024174 /nfs/dbraw/zinc/02/41/74/642024174.db2.gz GSGLKADDNQVWQG-AWEZNQCLSA-N 1 1 291.395 2.866 20 5 CFBDMO C[N@@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000124774465 642321581 /nfs/dbraw/zinc/32/15/81/642321581.db2.gz KOBLOCIZRVUCIX-UHFFFAOYSA-N 1 1 269.732 2.754 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000877318314 643236055 /nfs/dbraw/zinc/23/60/55/643236055.db2.gz WMOKJMDZAMWQDS-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000877318314 643236058 /nfs/dbraw/zinc/23/60/58/643236058.db2.gz WMOKJMDZAMWQDS-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000877594314 643386129 /nfs/dbraw/zinc/38/61/29/643386129.db2.gz FBYXWGBDTXEKND-SMDDNHRTSA-N 1 1 292.379 2.662 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000877594313 643386347 /nfs/dbraw/zinc/38/63/47/643386347.db2.gz FBYXWGBDTXEKND-RISCZKNCSA-N 1 1 292.379 2.662 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C=CCC3)nc2c1 ZINC000877624177 643410304 /nfs/dbraw/zinc/41/03/04/643410304.db2.gz MCGUFMZVHBSFLY-SECBINFHSA-N 1 1 259.265 2.544 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000877640555 643425207 /nfs/dbraw/zinc/42/52/07/643425207.db2.gz OVQDSRQWFPGYHJ-WBMJQRKESA-N 1 1 292.379 2.662 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cs1 ZINC000877736897 643497649 /nfs/dbraw/zinc/49/76/49/643497649.db2.gz BSOGBOLQDLJEAM-GHMZBOCLSA-N 1 1 284.406 2.841 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877737719 643498777 /nfs/dbraw/zinc/49/87/77/643498777.db2.gz HWOJISQIJJHMFJ-CHWSQXEVSA-N 1 1 278.377 2.780 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877738959 643503970 /nfs/dbraw/zinc/50/39/70/643503970.db2.gz QTZXREBBEPHCIE-UONOGXRCSA-N 1 1 292.404 2.822 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)CO1 ZINC000877916540 643639961 /nfs/dbraw/zinc/63/99/61/643639961.db2.gz FVVDLHKTQJWLBO-AWEZNQCLSA-N 1 1 290.363 2.986 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)CO1 ZINC000877916540 643639965 /nfs/dbraw/zinc/63/99/65/643639965.db2.gz FVVDLHKTQJWLBO-AWEZNQCLSA-N 1 1 290.363 2.986 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001515 643688898 /nfs/dbraw/zinc/68/88/98/643688898.db2.gz SIVLYDHBJMEGOS-UHFFFAOYSA-N 1 1 290.323 2.733 20 5 CFBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000878768968 644020271 /nfs/dbraw/zinc/02/02/71/644020271.db2.gz METVCYCELXXOLX-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879317872 644222661 /nfs/dbraw/zinc/22/26/61/644222661.db2.gz MUQCIZYWHKUVEU-RISCZKNCSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879317872 644222665 /nfs/dbraw/zinc/22/26/65/644222665.db2.gz MUQCIZYWHKUVEU-RISCZKNCSA-N 1 1 294.351 2.603 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317544 644222841 /nfs/dbraw/zinc/22/28/41/644222841.db2.gz FNOVQPKZAXDTNW-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322284 644227140 /nfs/dbraw/zinc/22/71/40/644227140.db2.gz UKWKQHQBMASILZ-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879322284 644227144 /nfs/dbraw/zinc/22/71/44/644227144.db2.gz UKWKQHQBMASILZ-GXFFZTMASA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879964943 644480464 /nfs/dbraw/zinc/48/04/64/644480464.db2.gz UFEIFLJPCSTBDG-GFCCVEGCSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000880232168 644592328 /nfs/dbraw/zinc/59/23/28/644592328.db2.gz IBZRQUJOYCYMIG-CYBMUJFWSA-N 1 1 266.316 2.819 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CF)C1 ZINC000880291167 644630633 /nfs/dbraw/zinc/63/06/33/644630633.db2.gz CIJTUSNROXOOAN-WDEREUQCSA-N 1 1 252.289 2.947 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CF)C1 ZINC000880294042 644633662 /nfs/dbraw/zinc/63/36/62/644633662.db2.gz QTLBPSAFZXAEPP-MNOVXSKESA-N 1 1 252.289 2.947 20 5 CFBDMO CCOc1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880299400 644639939 /nfs/dbraw/zinc/63/99/39/644639939.db2.gz SERHGOVIPOLRMS-LBPRGKRZSA-N 1 1 282.315 2.785 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250019208 650970441 /nfs/dbraw/zinc/97/04/41/650970441.db2.gz ZWGLEMANQZBUNB-ARFHVFGLSA-N 1 1 289.379 2.605 20 5 CFBDMO C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252191584 650999907 /nfs/dbraw/zinc/99/99/07/650999907.db2.gz RROUQRDLOSBSDY-SMDDNHRTSA-N 1 1 264.325 2.503 20 5 CFBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130787358 645570419 /nfs/dbraw/zinc/57/04/19/645570419.db2.gz ILIVNWQHJIYPDE-DGCLKSJQSA-N 1 1 266.345 2.649 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118181 651050414 /nfs/dbraw/zinc/05/04/14/651050414.db2.gz GEGLIJJYHRMNRX-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000305118181 651050416 /nfs/dbraw/zinc/05/04/16/651050416.db2.gz GEGLIJJYHRMNRX-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884582761 646468589 /nfs/dbraw/zinc/46/85/89/646468589.db2.gz KYCBFRVGEHKNDM-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134475 646888553 /nfs/dbraw/zinc/88/85/53/646888553.db2.gz SSRWLCSNCGWALN-SWLSCSKDSA-N 1 1 298.346 2.968 20 5 CFBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886134475 646888556 /nfs/dbraw/zinc/88/85/56/646888556.db2.gz SSRWLCSNCGWALN-SWLSCSKDSA-N 1 1 298.346 2.968 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000886218136 646925982 /nfs/dbraw/zinc/92/59/82/646925982.db2.gz OMYTZPJKZZZRGJ-CYBMUJFWSA-N 1 1 298.346 2.764 20 5 CFBDMO COc1cccc2c1C[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886234434 646932470 /nfs/dbraw/zinc/93/24/70/646932470.db2.gz OCQSKCGRXYJBCR-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO COc1cccc2c1C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886234434 646932474 /nfs/dbraw/zinc/93/24/74/646932474.db2.gz OCQSKCGRXYJBCR-UHFFFAOYSA-N 1 1 299.330 2.557 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000886264455 646939703 /nfs/dbraw/zinc/93/97/03/646939703.db2.gz ZDLHYIPYFPAHHN-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000886264455 646939704 /nfs/dbraw/zinc/93/97/04/646939704.db2.gz ZDLHYIPYFPAHHN-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cs1 ZINC000886832045 647155818 /nfs/dbraw/zinc/15/58/18/647155818.db2.gz ABCLUBPUNFWRQY-RYUDHWBXSA-N 1 1 282.365 2.657 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886832287 647155950 /nfs/dbraw/zinc/15/59/50/647155950.db2.gz FOMZYJUCOQBLIP-XHDPSFHLSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832546 647156473 /nfs/dbraw/zinc/15/64/73/647156473.db2.gz JQLKHUXVQLHMMB-HIFRSBDPSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886832496 647156746 /nfs/dbraw/zinc/15/67/46/647156746.db2.gz JGFSCRSZZFYTCZ-GOEBONIOSA-N 1 1 290.363 2.638 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140029 647228606 /nfs/dbraw/zinc/22/86/06/647228606.db2.gz NNQRCQZEKMYFFY-UHFFFAOYSA-N 1 1 297.330 2.523 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925310688 648154312 /nfs/dbraw/zinc/15/43/12/648154312.db2.gz OQKYUBXYTXSCGK-GOEBONIOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925310688 648154320 /nfs/dbraw/zinc/15/43/20/648154320.db2.gz OQKYUBXYTXSCGK-GOEBONIOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925310687 648155103 /nfs/dbraw/zinc/15/51/03/648155103.db2.gz OQKYUBXYTXSCGK-GDBMZVCRSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925310687 648155107 /nfs/dbraw/zinc/15/51/07/648155107.db2.gz OQKYUBXYTXSCGK-GDBMZVCRSA-N 1 1 289.379 2.701 20 5 CFBDMO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000925597335 648232359 /nfs/dbraw/zinc/23/23/59/648232359.db2.gz YIIUOWMSXSLRNZ-QWHCGFSZSA-N 1 1 277.368 2.590 20 5 CFBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000929134521 648987085 /nfs/dbraw/zinc/98/70/85/648987085.db2.gz XZXFKGQWEOAXKH-ZDUSSCGKSA-N 1 1 291.351 2.715 20 5 CFBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OC(F)F ZINC000930201822 649205831 /nfs/dbraw/zinc/20/58/31/649205831.db2.gz UDOGFWWJAJKMHH-SNVBAGLBSA-N 1 1 274.267 2.605 20 5 CFBDMO CC(C)([NH2+]CC[N+](=O)[O-])c1ccccc1Br ZINC000930233240 649211444 /nfs/dbraw/zinc/21/14/44/649211444.db2.gz NUALKXPOUXYDPK-UHFFFAOYSA-N 1 1 287.157 2.551 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000930720361 649314737 /nfs/dbraw/zinc/31/47/37/649314737.db2.gz PPEDXFMBDQXYEW-AWEZNQCLSA-N 1 1 260.337 2.533 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438077 649427633 /nfs/dbraw/zinc/42/76/33/649427633.db2.gz ZGCYQHBMHGCFGE-MELADBBJSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438077 649427636 /nfs/dbraw/zinc/42/76/36/649427636.db2.gz ZGCYQHBMHGCFGE-MELADBBJSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438076 649427816 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CCCC[N@H+](CC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000129771089 778829276 /nfs/dbraw/zinc/82/92/76/778829276.db2.gz XTJLVGVKFYXRQN-UHFFFAOYSA-N 1 1 293.323 2.582 20 5 CFBDMO CCCC[N@@H+](CC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000129771089 778829284 /nfs/dbraw/zinc/82/92/84/778829284.db2.gz XTJLVGVKFYXRQN-UHFFFAOYSA-N 1 1 293.323 2.582 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220768 779165132 /nfs/dbraw/zinc/16/51/32/779165132.db2.gz PYEAFUUMGYGPRW-XNRPHZJLSA-N 1 1 289.379 2.872 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(F)c1 ZINC000711467828 781436690 /nfs/dbraw/zinc/43/66/90/781436690.db2.gz BMWUZMZHFPICAH-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(F)c1 ZINC000711467828 781436695 /nfs/dbraw/zinc/43/66/95/781436695.db2.gz BMWUZMZHFPICAH-JTQLQIEISA-N 1 1 270.279 2.915 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000124315231 187132263 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Cc1noc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595410896 349618249 /nfs/dbraw/zinc/61/82/49/349618249.db2.gz UMRIBTBEZGCHRE-JTQLQIEISA-N 1 1 279.340 2.903 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595424112 349621377 /nfs/dbraw/zinc/62/13/77/349621377.db2.gz FGTYZKOKNWHGKG-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466054 349635901 /nfs/dbraw/zinc/63/59/01/349635901.db2.gz OWUKKJLQSPQKAJ-MRVPVSSYSA-N 1 1 293.245 2.666 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466054 349635906 /nfs/dbraw/zinc/63/59/06/349635906.db2.gz OWUKKJLQSPQKAJ-MRVPVSSYSA-N 1 1 293.245 2.666 20 5 CFBDMO Cc1noc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595504672 349644332 /nfs/dbraw/zinc/64/43/32/349644332.db2.gz GHTFDKPETIOBDZ-QWRGUYRKSA-N 1 1 279.340 2.902 20 5 CFBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595557798 349658823 /nfs/dbraw/zinc/65/88/23/349658823.db2.gz KNRZYVBXTXIUPS-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000595535623 349652726 /nfs/dbraw/zinc/65/27/26/349652726.db2.gz IJXBYJXIMMMSPX-ZDUSSCGKSA-N 1 1 291.395 2.819 20 5 CFBDMO CC(=O)c1ccc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000777 346879920 /nfs/dbraw/zinc/87/99/20/346879920.db2.gz GHKTZLHHIOSYFD-ZDUSSCGKSA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000595544525 349655531 /nfs/dbraw/zinc/65/55/31/349655531.db2.gz ASIBRNHQAKYCPC-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000595544525 349655535 /nfs/dbraw/zinc/65/55/35/349655535.db2.gz ASIBRNHQAKYCPC-CYBMUJFWSA-N 1 1 294.326 2.613 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000125901487 187204091 /nfs/dbraw/zinc/20/40/91/187204091.db2.gz RFCKHAZBEALUOG-NSHDSACASA-N 1 1 264.325 2.835 20 5 CFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679748 349698673 /nfs/dbraw/zinc/69/86/73/349698673.db2.gz XNNGAZZDUZFDKU-XHDPSFHLSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749097 349723127 /nfs/dbraw/zinc/72/31/27/349723127.db2.gz DLBUEBCLPSQMBM-LRDDRELGSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756875 349725118 /nfs/dbraw/zinc/72/51/18/349725118.db2.gz HCPZQKALWOXYNU-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809588 349736598 /nfs/dbraw/zinc/73/65/98/349736598.db2.gz HNFDUCQARIQNAB-ONGXEEELSA-N 1 1 250.273 2.576 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809588 349736604 /nfs/dbraw/zinc/73/66/04/349736604.db2.gz HNFDUCQARIQNAB-ONGXEEELSA-N 1 1 250.273 2.576 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595781019 349731744 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CC[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268918 349847875 /nfs/dbraw/zinc/84/78/75/349847875.db2.gz NOHBPONPNWWBTC-GFCCVEGCSA-N 1 1 263.341 2.515 20 5 CFBDMO COc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307373 349858040 /nfs/dbraw/zinc/85/80/40/349858040.db2.gz LKHAJEGKESVSGV-GFCCVEGCSA-N 1 1 293.367 2.888 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596325588 349864030 /nfs/dbraw/zinc/86/40/30/349864030.db2.gz BNYQDRUWRSNSBC-GFCCVEGCSA-N 1 1 263.341 2.880 20 5 CFBDMO C[N@H+](Cc1ccc(CO)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000182610631 529984539 /nfs/dbraw/zinc/98/45/39/529984539.db2.gz HUFPQIASOMYQRQ-UHFFFAOYSA-N 1 1 286.331 2.719 20 5 CFBDMO C[N@@H+](Cc1ccc(CO)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000182610631 529984541 /nfs/dbraw/zinc/98/45/41/529984541.db2.gz HUFPQIASOMYQRQ-UHFFFAOYSA-N 1 1 286.331 2.719 20 5 CFBDMO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596480140 349914524 /nfs/dbraw/zinc/91/45/24/349914524.db2.gz WEUNXRLEWHCHJK-LBPRGKRZSA-N 1 1 290.367 2.809 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413263598 530051465 /nfs/dbraw/zinc/05/14/65/530051465.db2.gz IMMKDARYPMICOJ-LBPRGKRZSA-N 1 1 296.346 2.661 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000413431013 530055129 /nfs/dbraw/zinc/05/51/29/530055129.db2.gz AHNNHWVJFFDGLX-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnn(C)c1 ZINC000027214854 232173071 /nfs/dbraw/zinc/17/30/71/232173071.db2.gz UDXMPXVHWOSENG-LLVKDONJSA-N 1 1 274.324 2.521 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027214854 232173073 /nfs/dbraw/zinc/17/30/73/232173073.db2.gz UDXMPXVHWOSENG-LLVKDONJSA-N 1 1 274.324 2.521 20 5 CFBDMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007811808 232171926 /nfs/dbraw/zinc/17/19/26/232171926.db2.gz DCVPVUKTNVTSGL-VXGBXAGGSA-N 1 1 291.351 2.511 20 5 CFBDMO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000097931096 232183792 /nfs/dbraw/zinc/18/37/92/232183792.db2.gz HRLXDEFOLKAEFC-UHFFFAOYSA-N 1 1 297.786 2.822 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCC1 ZINC000111299028 232192389 /nfs/dbraw/zinc/19/23/89/232192389.db2.gz VGNIEELZEXLVOF-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000027132804 346268046 /nfs/dbraw/zinc/26/80/46/346268046.db2.gz OESXZHYLMUUDMX-LLVKDONJSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1nccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000038037583 346336917 /nfs/dbraw/zinc/33/69/17/346336917.db2.gz BLEDSYDOQRWGSS-JTQLQIEISA-N 1 1 272.308 2.544 20 5 CFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000046783004 346434113 /nfs/dbraw/zinc/43/41/13/346434113.db2.gz AREZOUYUEGLIHL-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000047703424 346457669 /nfs/dbraw/zinc/45/76/69/346457669.db2.gz VGXLLLUBTRHHQA-RYUDHWBXSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051228272 346501836 /nfs/dbraw/zinc/50/18/36/346501836.db2.gz YQEJHHQQTRHYHZ-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1 ZINC000054175133 346562115 /nfs/dbraw/zinc/56/21/15/346562115.db2.gz RAVCABCFQHPZAV-SNVBAGLBSA-N 1 1 282.365 2.657 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052908457 346532205 /nfs/dbraw/zinc/53/22/05/346532205.db2.gz RDUSHGDPCHBSFY-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000058874912 346651634 /nfs/dbraw/zinc/65/16/34/346651634.db2.gz XNDJNHSWNUOGKP-UHFFFAOYSA-N 1 1 280.324 2.693 20 5 CFBDMO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000064558863 346723607 /nfs/dbraw/zinc/72/36/07/346723607.db2.gz NTRGDYWHMPAXTA-UHFFFAOYSA-N 1 1 294.351 2.616 20 5 CFBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110758 347121160 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C[C@H](O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510094 347802169 /nfs/dbraw/zinc/80/21/69/347802169.db2.gz JRSFSULTTGCVIJ-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510094 347802171 /nfs/dbraw/zinc/80/21/71/347802171.db2.gz JRSFSULTTGCVIJ-WDEREUQCSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603206 347816122 /nfs/dbraw/zinc/81/61/22/347816122.db2.gz SRPXISZKRDQJFQ-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603206 347816124 /nfs/dbraw/zinc/81/61/24/347816124.db2.gz SRPXISZKRDQJFQ-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000271012037 348331567 /nfs/dbraw/zinc/33/15/67/348331567.db2.gz POKKVHNLFFTMJY-CQSZACIVSA-N 1 1 278.352 2.640 20 5 CFBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313807774 348423860 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2.949 20 5 CFBDMO C[C@H](NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000042314689 372907131 /nfs/dbraw/zinc/90/71/31/372907131.db2.gz IBWPNARKVNPMRE-ZDUSSCGKSA-N 1 1 277.368 2.731 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000045653779 373025178 /nfs/dbraw/zinc/02/51/78/373025178.db2.gz NKBSQAWEJFXKCP-LBPRGKRZSA-N 1 1 263.341 2.798 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000046598893 373056868 /nfs/dbraw/zinc/05/68/68/373056868.db2.gz BYYFHHBZPPDJND-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000046598893 373056877 /nfs/dbraw/zinc/05/68/77/373056877.db2.gz BYYFHHBZPPDJND-ZDUSSCGKSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000046064799 373042175 /nfs/dbraw/zinc/04/21/75/373042175.db2.gz WIERDVWCXUJGDE-UHFFFAOYSA-N 1 1 294.351 2.939 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050352254 373373164 /nfs/dbraw/zinc/37/31/64/373373164.db2.gz ZYCKXSJGFAWQKZ-SECBINFHSA-N 1 1 281.743 2.897 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050352254 373373170 /nfs/dbraw/zinc/37/31/70/373373170.db2.gz ZYCKXSJGFAWQKZ-SECBINFHSA-N 1 1 281.743 2.897 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051555327 373399757 /nfs/dbraw/zinc/39/97/57/373399757.db2.gz IFRLIPDKRODLRF-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000062351275 373758442 /nfs/dbraw/zinc/75/84/42/373758442.db2.gz COCPRXXFTQSDMN-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO COc1ccc(C[N@H+](C)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000064635898 373831431 /nfs/dbraw/zinc/83/14/31/373831431.db2.gz ZZDMZPUKVGOFLH-UHFFFAOYSA-N 1 1 292.257 2.988 20 5 CFBDMO COc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000064635898 373831432 /nfs/dbraw/zinc/83/14/32/373831432.db2.gz ZZDMZPUKVGOFLH-UHFFFAOYSA-N 1 1 292.257 2.988 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000068451168 374030242 /nfs/dbraw/zinc/03/02/42/374030242.db2.gz UZMARSLJOCOHTO-JTQLQIEISA-N 1 1 290.323 2.875 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000068451042 374030600 /nfs/dbraw/zinc/03/06/00/374030600.db2.gz KCIOLLZEUGQOGJ-NSHDSACASA-N 1 1 293.367 2.962 20 5 CFBDMO Cc1ccnc(NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000070496421 374187198 /nfs/dbraw/zinc/18/71/98/374187198.db2.gz XJLNDOILUIVBKX-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000072978673 374309666 /nfs/dbraw/zinc/30/96/66/374309666.db2.gz BGDYHJDIYKJLBT-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000075842018 374508707 /nfs/dbraw/zinc/50/87/07/374508707.db2.gz GHUFZJGZLXFIJH-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000090529881 375019405 /nfs/dbraw/zinc/01/94/05/375019405.db2.gz RNJKZTJRXFOWBK-ZYHUDNBSSA-N 1 1 288.351 2.908 20 5 CFBDMO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672423 375136806 /nfs/dbraw/zinc/13/68/06/375136806.db2.gz FQADMQIJJVVPTD-DGCLKSJQSA-N 1 1 275.352 2.940 20 5 CFBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000092966368 375169479 /nfs/dbraw/zinc/16/94/79/375169479.db2.gz FGPXJZGILDBRMW-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093770198 375311123 /nfs/dbraw/zinc/31/11/23/375311123.db2.gz IZCYTAVKVGLJLG-OAHLLOKOSA-N 1 1 291.395 2.677 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820194 375317151 /nfs/dbraw/zinc/31/71/51/375317151.db2.gz UQBCBGBIJVHTTQ-OAHLLOKOSA-N 1 1 276.336 2.516 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093838875 375319335 /nfs/dbraw/zinc/31/93/35/375319335.db2.gz DYNSOIHVFNXHBX-AWEZNQCLSA-N 1 1 278.352 2.762 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCSC1 ZINC000094774274 375378233 /nfs/dbraw/zinc/37/82/33/375378233.db2.gz SEVXEUQEWXITQS-JTQLQIEISA-N 1 1 270.329 2.671 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000107830660 375810404 /nfs/dbraw/zinc/81/04/04/375810404.db2.gz DYTWDWGQAFJCSD-UONOGXRCSA-N 1 1 275.352 2.942 20 5 CFBDMO Cc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000108657970 375817366 /nfs/dbraw/zinc/81/73/66/375817366.db2.gz DQYCGOAZLSGDRS-UHFFFAOYSA-N 1 1 251.673 2.801 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000112333601 375905047 /nfs/dbraw/zinc/90/50/47/375905047.db2.gz HCAOOHHGDWNILW-UHFFFAOYSA-N 1 1 293.367 2.941 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000116276210 376174771 /nfs/dbraw/zinc/17/47/71/376174771.db2.gz XOVVWIQGRLKDFB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000116276210 376174779 /nfs/dbraw/zinc/17/47/79/376174779.db2.gz XOVVWIQGRLKDFB-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426224599 296240150 /nfs/dbraw/zinc/24/01/50/296240150.db2.gz BKABFZLBXUEZJC-NILFDRSVSA-N 1 1 278.352 2.891 20 5 CFBDMO Cc1c(CN(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319501 /nfs/dbraw/zinc/31/95/01/376319501.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 1 1 291.395 2.677 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000118416264 376296010 /nfs/dbraw/zinc/29/60/10/376296010.db2.gz VVKMAGBASLSQKH-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000118416264 376296014 /nfs/dbraw/zinc/29/60/14/376296014.db2.gz VVKMAGBASLSQKH-WDEREUQCSA-N 1 1 296.392 2.929 20 5 CFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120060497 376538042 /nfs/dbraw/zinc/53/80/42/376538042.db2.gz KELIRFISKFZNFE-VIFPVBQESA-N 1 1 270.329 2.671 20 5 CFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120060497 376538053 /nfs/dbraw/zinc/53/80/53/376538053.db2.gz KELIRFISKFZNFE-VIFPVBQESA-N 1 1 270.329 2.671 20 5 CFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120750628 376683237 /nfs/dbraw/zinc/68/32/37/376683237.db2.gz XSDOSMPTZKXBIE-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1c(C[N@@H+](C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000121480106 376841557 /nfs/dbraw/zinc/84/15/57/376841557.db2.gz RJQYAIHZZGFZPV-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[C@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123606855 376961595 /nfs/dbraw/zinc/96/15/95/376961595.db2.gz ZNXXPJCGUUGXDV-RYUDHWBXSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493149 377341922 /nfs/dbraw/zinc/34/19/22/377341922.db2.gz PROVUIDREKXPSV-SWLSCSKDSA-N 1 1 279.384 2.961 20 5 CFBDMO COC[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844270 190212586 /nfs/dbraw/zinc/21/25/86/190212586.db2.gz XLZIDBJYKPTMBQ-VXGBXAGGSA-N 1 1 264.325 2.624 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000133760488 377955686 /nfs/dbraw/zinc/95/56/86/377955686.db2.gz VXWKARQETUZLMN-FZMZJTMJSA-N 1 1 293.342 2.654 20 5 CFBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131701 378299503 /nfs/dbraw/zinc/29/95/03/378299503.db2.gz UAJUJUSFPDRRTM-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO CCSCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153277148 378484840 /nfs/dbraw/zinc/48/48/40/378484840.db2.gz WWXUHESWFYZYOK-UHFFFAOYSA-N 1 1 266.366 2.706 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153761787 378509372 /nfs/dbraw/zinc/50/93/72/378509372.db2.gz MIYCNEFQDZQFIJ-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1n[nH]cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154273767 378554207 /nfs/dbraw/zinc/55/42/07/378554207.db2.gz RHAHTJGGLMFJPL-UHFFFAOYSA-N 1 1 286.335 2.791 20 5 CFBDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154273767 378554215 /nfs/dbraw/zinc/55/42/15/378554215.db2.gz RHAHTJGGLMFJPL-UHFFFAOYSA-N 1 1 286.335 2.791 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299095 378665014 /nfs/dbraw/zinc/66/50/14/378665014.db2.gz VFXHWLHZKMJBBF-WWGRRREGSA-N 1 1 292.379 2.619 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159238586 378696023 /nfs/dbraw/zinc/69/60/23/378696023.db2.gz NKPSWBHZLNIQLP-BXUZGUMPSA-N 1 1 278.352 2.639 20 5 CFBDMO Cc1c(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191857 378647589 /nfs/dbraw/zinc/64/75/89/378647589.db2.gz QAKNNOMLZRXOQL-SWLSCSKDSA-N 1 1 292.379 2.886 20 5 CFBDMO Cc1nc(NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000161547897 378856456 /nfs/dbraw/zinc/85/64/56/378856456.db2.gz MHLFHSFNMSRFPG-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO CCOc1cc(C[N@@H+](C)CCCCCO)ccc1[N+](=O)[O-] ZINC000278916486 194210139 /nfs/dbraw/zinc/21/01/39/194210139.db2.gz RAXTUTJTIBKTDZ-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO C[C@H]1CSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000172594283 379602160 /nfs/dbraw/zinc/60/21/60/379602160.db2.gz GECHRXIRRYRGBM-JTQLQIEISA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@H]1CSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000172594283 379602169 /nfs/dbraw/zinc/60/21/69/379602169.db2.gz GECHRXIRRYRGBM-JTQLQIEISA-N 1 1 252.339 2.532 20 5 CFBDMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000172963475 379676825 /nfs/dbraw/zinc/67/68/25/379676825.db2.gz WVZRKGYMWVXMRX-TXEJJXNPSA-N 1 1 276.336 2.691 20 5 CFBDMO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173389036 379734922 /nfs/dbraw/zinc/73/49/22/379734922.db2.gz CVWXYHAQBDSHGQ-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175049339 379985556 /nfs/dbraw/zinc/98/55/56/379985556.db2.gz LEGMAVPQBZRQNN-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175049339 379985560 /nfs/dbraw/zinc/98/55/60/379985560.db2.gz LEGMAVPQBZRQNN-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000175071079 379988975 /nfs/dbraw/zinc/98/89/75/379988975.db2.gz DTFCLYAKQAISBF-UHFFFAOYSA-N 1 1 264.325 2.979 20 5 CFBDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231774 380199949 /nfs/dbraw/zinc/19/99/49/380199949.db2.gz NVMANCPEWMNFGP-VXGBXAGGSA-N 1 1 280.372 2.690 20 5 CFBDMO CCC[C@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176286683 380209686 /nfs/dbraw/zinc/20/96/86/380209686.db2.gz SBSJKLZXNRBQSD-CQSZACIVSA-N 1 1 280.372 2.694 20 5 CFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177866781 380387764 /nfs/dbraw/zinc/38/77/64/380387764.db2.gz FFNRGVHFFYJUJV-VXGBXAGGSA-N 1 1 294.351 2.713 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177877642 380388912 /nfs/dbraw/zinc/38/89/12/380388912.db2.gz LENCPTMMABEBQJ-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336814198 380674594 /nfs/dbraw/zinc/67/45/94/380674594.db2.gz FAJQZLLKIIMLHY-LBPRGKRZSA-N 1 1 284.743 2.593 20 5 CFBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336814198 380674600 /nfs/dbraw/zinc/67/46/00/380674600.db2.gz FAJQZLLKIIMLHY-LBPRGKRZSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000279167547 194313413 /nfs/dbraw/zinc/31/34/13/194313413.db2.gz BROOMBGXCDPRJM-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@H+](CCc1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC000181462171 380796927 /nfs/dbraw/zinc/79/69/27/380796927.db2.gz IBJJXXSFEKKPFR-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO C[N@@H+](CCc1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC000181462171 380796934 /nfs/dbraw/zinc/79/69/34/380796934.db2.gz IBJJXXSFEKKPFR-UHFFFAOYSA-N 1 1 277.349 2.726 20 5 CFBDMO CCOCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000181489706 380806673 /nfs/dbraw/zinc/80/66/73/380806673.db2.gz DNBNSVNDIJQOBE-SOFGYWHQSA-N 1 1 264.325 2.576 20 5 CFBDMO COc1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1[N+](=O)[O-] ZINC000353799879 380860321 /nfs/dbraw/zinc/86/03/21/380860321.db2.gz XKJFLZYTYPNEBP-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000368396024 381010280 /nfs/dbraw/zinc/01/02/80/381010280.db2.gz YHSCLXVBGZAUAG-LLVKDONJSA-N 1 1 294.326 2.974 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182356322 381074498 /nfs/dbraw/zinc/07/44/98/381074498.db2.gz FCWCWFCEQPZLNK-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411943004 381066701 /nfs/dbraw/zinc/06/67/01/381066701.db2.gz MKZKDDTZOUAHFL-IAGOWNOFSA-N 1 1 298.342 2.903 20 5 CFBDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000354092414 381073232 /nfs/dbraw/zinc/07/32/32/381073232.db2.gz RNOISNBYHMOUPV-UHFFFAOYSA-N 1 1 269.264 2.690 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(O)C1 ZINC000347356065 381094170 /nfs/dbraw/zinc/09/41/70/381094170.db2.gz KQEYYDYCBQALNJ-OVHOFWQVSA-N 1 1 290.363 2.845 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000347384762 381113178 /nfs/dbraw/zinc/11/31/78/381113178.db2.gz XVNWMWGRAZRZMC-JTCCWOMRSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000354225220 381150691 /nfs/dbraw/zinc/15/06/91/381150691.db2.gz QVFUSIVAZBQTSU-UHFFFAOYSA-N 1 1 296.367 2.721 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000289803990 381166371 /nfs/dbraw/zinc/16/63/71/381166371.db2.gz MMCVCAAQJOFQPP-RCQQVGEISA-N 1 1 291.395 2.926 20 5 CFBDMO CC(C)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289803990 381166383 /nfs/dbraw/zinc/16/63/83/381166383.db2.gz MMCVCAAQJOFQPP-RCQQVGEISA-N 1 1 291.395 2.926 20 5 CFBDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616372 381257472 /nfs/dbraw/zinc/25/74/72/381257472.db2.gz LSZODEWKAJQYEB-OLZOCXBDSA-N 1 1 294.399 2.938 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc[nH]c2)c(Cl)c1 ZINC000183802002 261989532 /nfs/dbraw/zinc/98/95/32/261989532.db2.gz VJUVRCFCJUWOQA-UHFFFAOYSA-N 1 1 265.700 2.866 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000347687969 381299111 /nfs/dbraw/zinc/29/91/11/381299111.db2.gz RDBSCHSMKDWICO-HNNXBMFYSA-N 1 1 290.363 2.986 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342419737 381323286 /nfs/dbraw/zinc/32/32/86/381323286.db2.gz MQHCZLJVRSWIGX-GFCCVEGCSA-N 1 1 297.374 2.944 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000184139660 381377620 /nfs/dbraw/zinc/37/76/20/381377620.db2.gz YKEFEQWVXPYPIQ-UHFFFAOYSA-N 1 1 276.267 2.729 20 5 CFBDMO C[N@H+](CC[C@@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000342573573 381406942 /nfs/dbraw/zinc/40/69/42/381406942.db2.gz VKRJQVQPYUJYBJ-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000342573573 381406946 /nfs/dbraw/zinc/40/69/46/381406946.db2.gz VKRJQVQPYUJYBJ-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184230281 381387941 /nfs/dbraw/zinc/38/79/41/381387941.db2.gz DCXFHYSTMITCLV-NXEZZACHSA-N 1 1 282.315 2.973 20 5 CFBDMO COc1cc(C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184238327 381390046 /nfs/dbraw/zinc/39/00/46/381390046.db2.gz MGADLGNXTBASPY-UHFFFAOYSA-N 1 1 268.288 2.728 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1F ZINC000342588089 381417701 /nfs/dbraw/zinc/41/77/01/381417701.db2.gz CERKLTAXTNOVSK-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000290510305 381458498 /nfs/dbraw/zinc/45/84/98/381458498.db2.gz FCTVUXMCMJADEY-GFCCVEGCSA-N 1 1 295.383 2.883 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000348356238 381527568 /nfs/dbraw/zinc/52/75/68/381527568.db2.gz XJLSEDOSZXLYAS-WCQYABFASA-N 1 1 292.383 2.607 20 5 CFBDMO O=[N+]([O-])c1ccc(CSCC[N@H+]2CCCOCC2)cc1 ZINC000413005409 381533826 /nfs/dbraw/zinc/53/38/26/381533826.db2.gz YXTCXRIIFSRJJY-UHFFFAOYSA-N 1 1 296.392 2.550 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000290813064 381560199 /nfs/dbraw/zinc/56/01/99/381560199.db2.gz RNLGGDCXUBVYQS-GHMZBOCLSA-N 1 1 291.351 2.641 20 5 CFBDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000371321656 381590682 /nfs/dbraw/zinc/59/06/82/381590682.db2.gz BWSRNSBUABOPOE-MRXNPFEDSA-N 1 1 297.358 2.871 20 5 CFBDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000371321655 381591277 /nfs/dbraw/zinc/59/12/77/381591277.db2.gz BWSRNSBUABOPOE-INIZCTEOSA-N 1 1 297.358 2.871 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332754 381593441 /nfs/dbraw/zinc/59/34/41/381593441.db2.gz RKLQAIKHWKZKHC-LSDHHAIUSA-N 1 1 290.363 2.762 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355112138 381619333 /nfs/dbraw/zinc/61/93/33/381619333.db2.gz NDWHYVUTBOZSFM-KBPBESRZSA-N 1 1 276.336 2.596 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348713174 381682117 /nfs/dbraw/zinc/68/21/17/381682117.db2.gz VTFPQAYGFCUTNN-ZBKLQPJUSA-N 1 1 276.336 2.719 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000371768740 381697676 /nfs/dbraw/zinc/69/76/76/381697676.db2.gz BVKCVDKOJVMTCG-RRFJBIMHSA-N 1 1 290.363 2.840 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348836482 381729923 /nfs/dbraw/zinc/72/99/23/381729923.db2.gz WPPJECYWPLDAIM-XYLWRLHESA-N 1 1 264.325 2.575 20 5 CFBDMO CC(C)(C)[C@@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051423 381736522 /nfs/dbraw/zinc/73/65/22/381736522.db2.gz JSMOFJSKHNMAKV-IQCBXXCUSA-N 1 1 277.368 2.571 20 5 CFBDMO CCN(CC)[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000355307303 381741341 /nfs/dbraw/zinc/74/13/41/381741341.db2.gz CPHHRZABEHBQCI-ZDUSSCGKSA-N 1 1 279.384 2.723 20 5 CFBDMO CCc1ccccc1[C@@H](N)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415065257 381750503 /nfs/dbraw/zinc/75/05/03/381750503.db2.gz MNJYYFWZIWKOFW-KRWDZBQOSA-N 1 1 299.374 2.947 20 5 CFBDMO C[C@H]1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343456848 381724372 /nfs/dbraw/zinc/72/43/72/381724372.db2.gz JZRPTNZJJUWTDR-WCBMZHEXSA-N 1 1 284.747 2.538 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000299019107 381798991 /nfs/dbraw/zinc/79/89/91/381798991.db2.gz FNSNIKDCKQDNRU-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000299019107 381799002 /nfs/dbraw/zinc/79/90/02/381799002.db2.gz FNSNIKDCKQDNRU-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000372155483 381765565 /nfs/dbraw/zinc/76/55/65/381765565.db2.gz KQVSQNNYOQUTKW-LSDHHAIUSA-N 1 1 276.336 2.503 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343606266 381836827 /nfs/dbraw/zinc/83/68/27/381836827.db2.gz PBHFFVIOTJTFLT-BXUZGUMPSA-N 1 1 293.367 2.636 20 5 CFBDMO C[N@H+]1CC[C@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293057985 381971498 /nfs/dbraw/zinc/97/14/98/381971498.db2.gz MTTSEUKWBRCSKL-AWEZNQCLSA-N 1 1 295.770 2.780 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362328537 382008183 /nfs/dbraw/zinc/00/81/83/382008183.db2.gz SUAAXMWHODVRQZ-AOOOYVTPSA-N 1 1 282.315 2.830 20 5 CFBDMO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929420 382024354 /nfs/dbraw/zinc/02/43/54/382024354.db2.gz QMNDMINPYUPYOX-NHYWBVRUSA-N 1 1 277.368 2.586 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000344024097 382073748 /nfs/dbraw/zinc/07/37/48/382073748.db2.gz VJHZKFRCQZNITO-NSHDSACASA-N 1 1 264.300 2.966 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351972065 382099302 /nfs/dbraw/zinc/09/93/02/382099302.db2.gz ZVUIURYGULAKSQ-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293466149 382133778 /nfs/dbraw/zinc/13/37/78/382133778.db2.gz QODSMLWZRNTKEB-USWWRNFRSA-N 1 1 291.351 2.570 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293466149 382133784 /nfs/dbraw/zinc/13/37/84/382133784.db2.gz QODSMLWZRNTKEB-USWWRNFRSA-N 1 1 291.351 2.570 20 5 CFBDMO CCC[N@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301360245 382157977 /nfs/dbraw/zinc/15/79/77/382157977.db2.gz ADWSYCBPIWLHNV-UHFFFAOYSA-N 1 1 281.331 2.656 20 5 CFBDMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301375010 382161060 /nfs/dbraw/zinc/16/10/60/382161060.db2.gz VLQRFKGIDNHZDP-CYBMUJFWSA-N 1 1 277.368 2.681 20 5 CFBDMO CC(C)SCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376759903 382173313 /nfs/dbraw/zinc/17/33/13/382173313.db2.gz XGLIIGLJOSVETN-LBPRGKRZSA-N 1 1 298.412 2.570 20 5 CFBDMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222226 382231893 /nfs/dbraw/zinc/23/18/93/382231893.db2.gz PXAJXHIHIIPVLV-NEPJUHHUSA-N 1 1 266.341 2.667 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000357572343 382232554 /nfs/dbraw/zinc/23/25/54/382232554.db2.gz UGNBVCCUYSHTAP-NSHDSACASA-N 1 1 251.330 2.735 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000357699912 382284626 /nfs/dbraw/zinc/28/46/26/382284626.db2.gz DAXQFBNPVUQOOU-AWEZNQCLSA-N 1 1 277.368 2.680 20 5 CFBDMO C[C@@H](F)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352360545 382288810 /nfs/dbraw/zinc/28/88/10/382288810.db2.gz GCOAHNMSDARLHB-LLVKDONJSA-N 1 1 254.305 2.817 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419332512 382289569 /nfs/dbraw/zinc/28/95/69/382289569.db2.gz SQLSZASRBJSCAF-NWDGAFQWSA-N 1 1 294.399 2.975 20 5 CFBDMO CCCCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326133 382307013 /nfs/dbraw/zinc/30/70/13/382307013.db2.gz FNTLJSSMHFMVOI-GFCCVEGCSA-N 1 1 266.345 2.618 20 5 CFBDMO COc1cc(C[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000352404736 382310512 /nfs/dbraw/zinc/31/05/12/382310512.db2.gz IZGPDJLTMZFLCM-UHFFFAOYSA-N 1 1 252.314 2.691 20 5 CFBDMO CC/C=C/CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364344387 382311593 /nfs/dbraw/zinc/31/15/93/382311593.db2.gz YIAOLIDLCZGJET-ITDFMYJTSA-N 1 1 278.356 2.785 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000357772891 382312801 /nfs/dbraw/zinc/31/28/01/382312801.db2.gz DROLPZMKRTUPCX-NSHDSACASA-N 1 1 266.345 2.522 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000352417314 382320675 /nfs/dbraw/zinc/32/06/75/382320675.db2.gz OPTBVFBKUIJRKL-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000357805345 382329922 /nfs/dbraw/zinc/32/99/22/382329922.db2.gz LVWKDVKVHNMTSM-NSHDSACASA-N 1 1 297.403 2.652 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000302825971 382329900 /nfs/dbraw/zinc/32/99/00/382329900.db2.gz ZRDGHMPGIWEDOL-LLVKDONJSA-N 1 1 290.298 2.666 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187918543 382297034 /nfs/dbraw/zinc/29/70/34/382297034.db2.gz GEDIOYFVSRSUAY-NHYWBVRUSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1c(C[N@@H+](CCCCO)C2CC2)cccc1[N+](=O)[O-] ZINC000304210853 382378313 /nfs/dbraw/zinc/37/83/13/382378313.db2.gz ACJGXPSFEIYFEP-UHFFFAOYSA-N 1 1 278.352 2.640 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352540044 382387076 /nfs/dbraw/zinc/38/70/76/382387076.db2.gz GNFOBABFEARKSD-PHIMTYICSA-N 1 1 264.325 2.691 20 5 CFBDMO CCCCOCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549532 382393097 /nfs/dbraw/zinc/39/30/97/382393097.db2.gz COGSLFCSPOVMGB-UHFFFAOYSA-N 1 1 280.368 2.886 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798185 382347104 /nfs/dbraw/zinc/34/71/04/382347104.db2.gz FHBVZXLJMNKKRE-ZYHUDNBSSA-N 1 1 286.335 2.526 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352659569 382436546 /nfs/dbraw/zinc/43/65/46/382436546.db2.gz OALJUEYTPUGROS-WCQYABFASA-N 1 1 284.743 2.593 20 5 CFBDMO CCOc1cccc(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420644980 382442794 /nfs/dbraw/zinc/44/27/94/382442794.db2.gz ZHIWMKQFCUXSIF-LBPRGKRZSA-N 1 1 293.367 2.524 20 5 CFBDMO CC(C)CC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571573 382399325 /nfs/dbraw/zinc/39/93/25/382399325.db2.gz WJSNBLNUCMONKB-OAHLLOKOSA-N 1 1 294.395 2.866 20 5 CFBDMO CSCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704298 382451515 /nfs/dbraw/zinc/45/15/15/382451515.db2.gz FCLGEFJZJBCFAA-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO CSCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704298 382451518 /nfs/dbraw/zinc/45/15/18/382451518.db2.gz FCLGEFJZJBCFAA-UHFFFAOYSA-N 1 1 282.365 2.542 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]12CCOC2 ZINC000421399977 382518131 /nfs/dbraw/zinc/51/81/31/382518131.db2.gz JDDXKVVFBODUFG-LRFDDAOPSA-N 1 1 288.347 2.863 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649725 382538428 /nfs/dbraw/zinc/53/84/28/382538428.db2.gz DAIWJSRCJYKJBB-CABCVRRESA-N 1 1 290.363 2.762 20 5 CFBDMO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1nccn1C ZINC000358313344 382562743 /nfs/dbraw/zinc/56/27/43/382562743.db2.gz UTIZOOCWCKRPEV-ZDUSSCGKSA-N 1 1 288.351 2.878 20 5 CFBDMO C[C@@H]([N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000382773538 382536039 /nfs/dbraw/zinc/53/60/39/382536039.db2.gz BCIBNFLEPQVYOL-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO C[C@@H]([N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)O ZINC000382773538 382536043 /nfs/dbraw/zinc/53/60/43/382536043.db2.gz BCIBNFLEPQVYOL-SECBINFHSA-N 1 1 286.759 2.839 20 5 CFBDMO CC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000190523340 382671876 /nfs/dbraw/zinc/67/18/76/382671876.db2.gz RXKIAEQQGSTUGL-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189685893 382635318 /nfs/dbraw/zinc/63/53/18/382635318.db2.gz IGZJKXDUEVOCFX-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000575133476 382728806 /nfs/dbraw/zinc/72/88/06/382728806.db2.gz AZSPUQBBBDPJSI-HIFRSBDPSA-N 1 1 290.363 2.760 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000193969096 382731507 /nfs/dbraw/zinc/73/15/07/382731507.db2.gz DQWTVIFHQSRZQL-UHFFFAOYSA-N 1 1 291.307 2.879 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195511645 382768592 /nfs/dbraw/zinc/76/85/92/382768592.db2.gz OBFVGWOTOPYBQJ-SNVBAGLBSA-N 1 1 284.385 2.584 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217400944 382786558 /nfs/dbraw/zinc/78/65/58/382786558.db2.gz OTLKYSBSAXTEFE-CYBMUJFWSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000217400944 382786559 /nfs/dbraw/zinc/78/65/59/382786559.db2.gz OTLKYSBSAXTEFE-CYBMUJFWSA-N 1 1 279.384 2.723 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000194716862 382753262 /nfs/dbraw/zinc/75/32/62/382753262.db2.gz HNZWJRWHBHYURV-UHFFFAOYSA-N 1 1 291.307 2.879 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000194716862 382753263 /nfs/dbraw/zinc/75/32/63/382753263.db2.gz HNZWJRWHBHYURV-UHFFFAOYSA-N 1 1 291.307 2.879 20 5 CFBDMO O=C(CC[N@H+]1CCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000337038419 382754952 /nfs/dbraw/zinc/75/49/52/382754952.db2.gz KUFQHUDEYLGIQX-UHFFFAOYSA-N 1 1 289.335 2.552 20 5 CFBDMO CCC[N@@H+](CC)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231399 382852807 /nfs/dbraw/zinc/85/28/07/382852807.db2.gz JXVPZBYRQIRFFR-OAHLLOKOSA-N 1 1 291.395 2.904 20 5 CFBDMO CCCN(CC)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231399 382852810 /nfs/dbraw/zinc/85/28/10/382852810.db2.gz JXVPZBYRQIRFFR-OAHLLOKOSA-N 1 1 291.395 2.904 20 5 CFBDMO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000337483052 382829042 /nfs/dbraw/zinc/82/90/42/382829042.db2.gz RLDAPAWVMFJHDC-LBPRGKRZSA-N 1 1 288.351 2.796 20 5 CFBDMO CCc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000230706394 382862538 /nfs/dbraw/zinc/86/25/38/382862538.db2.gz QHUXQGDBNXWIIL-UHFFFAOYSA-N 1 1 277.349 2.904 20 5 CFBDMO Cc1cc[nH+]c(N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000337800652 382866469 /nfs/dbraw/zinc/86/64/69/382866469.db2.gz HWFZLIKAVSZMJN-UHFFFAOYSA-N 1 1 271.320 2.977 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC000533237315 382888418 /nfs/dbraw/zinc/88/84/18/382888418.db2.gz OMTWMJFUAJMHDO-UNXYVOJBSA-N 1 1 289.335 2.549 20 5 CFBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441436441 382914161 /nfs/dbraw/zinc/91/41/61/382914161.db2.gz ODJBKERDIKKPPI-VXGBXAGGSA-N 1 1 294.351 2.713 20 5 CFBDMO Cc1cc[nH+]c(N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000534511795 382932549 /nfs/dbraw/zinc/93/25/49/382932549.db2.gz DFDCGVGXOQJCRA-UHFFFAOYSA-N 1 1 269.304 2.861 20 5 CFBDMO CC[C@@H](F)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363330 383004399 /nfs/dbraw/zinc/00/43/99/383004399.db2.gz UBNUVAVNKKIXLK-GFCCVEGCSA-N 1 1 254.305 2.817 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191633 382969065 /nfs/dbraw/zinc/96/90/65/382969065.db2.gz HKYAYVOYJZKMHB-MFKMUULPSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002252 383121433 /nfs/dbraw/zinc/12/14/33/383121433.db2.gz YFYKVWQFKZWBSH-SDQPKGBYSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@H]1CCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002252 383121435 /nfs/dbraw/zinc/12/14/35/383121435.db2.gz YFYKVWQFKZWBSH-SDQPKGBYSA-N 1 1 289.379 2.539 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000608886430 383133594 /nfs/dbraw/zinc/13/35/94/383133594.db2.gz TVVXQZIRDIJWEN-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423433430 383094848 /nfs/dbraw/zinc/09/48/48/383094848.db2.gz CJIATJDVNQFWAC-ABHRYQDASA-N 1 1 291.395 2.631 20 5 CFBDMO Cc1noc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449276184 383195943 /nfs/dbraw/zinc/19/59/43/383195943.db2.gz BGSVGKMVVQBXAV-ZJUUUORDSA-N 1 1 290.323 2.568 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000520960299 383281266 /nfs/dbraw/zinc/28/12/66/383281266.db2.gz ZXORBWVODGACBK-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248326840 383223488 /nfs/dbraw/zinc/22/34/88/383223488.db2.gz CCWAIAIAWPFFNI-RYUDHWBXSA-N 1 1 264.325 2.704 20 5 CFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248332110 383223664 /nfs/dbraw/zinc/22/36/64/383223664.db2.gz FFNRGVHFFYJUJV-RYUDHWBXSA-N 1 1 294.351 2.713 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1 ZINC000449467422 383310908 /nfs/dbraw/zinc/31/09/08/383310908.db2.gz JBBFWKPOJJWCMU-JHJVBQTASA-N 1 1 296.392 2.782 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449758387 383364748 /nfs/dbraw/zinc/36/47/48/383364748.db2.gz GMJZKNKSQANMNH-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000524619874 383377062 /nfs/dbraw/zinc/37/70/62/383377062.db2.gz MIKORHVDUVQGMA-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000340219713 383384298 /nfs/dbraw/zinc/38/42/98/383384298.db2.gz YRDBBRHSXWFPCG-UHFFFAOYSA-N 1 1 279.340 2.572 20 5 CFBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000252799246 383436315 /nfs/dbraw/zinc/43/63/15/383436315.db2.gz AHOZCJJWIADQKT-NWDGAFQWSA-N 1 1 291.351 2.511 20 5 CFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000252799246 383436319 /nfs/dbraw/zinc/43/63/19/383436319.db2.gz AHOZCJJWIADQKT-NWDGAFQWSA-N 1 1 291.351 2.511 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000428470457 383480573 /nfs/dbraw/zinc/48/05/73/383480573.db2.gz PENGUWFINIJYQL-AJKQWTFCSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450823975 383505233 /nfs/dbraw/zinc/50/52/33/383505233.db2.gz CRCSMDLVCKKLFR-LBPRGKRZSA-N 1 1 281.331 2.654 20 5 CFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751969 383573624 /nfs/dbraw/zinc/57/36/24/383573624.db2.gz XDVBPXZFJVLQAF-WWGRRREGSA-N 1 1 289.379 2.761 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489247349 383601177 /nfs/dbraw/zinc/60/11/77/383601177.db2.gz FSYPMPLWJRAOLW-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489247349 383601179 /nfs/dbraw/zinc/60/11/79/383601179.db2.gz FSYPMPLWJRAOLW-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000570448361 383604790 /nfs/dbraw/zinc/60/47/90/383604790.db2.gz XBRPOMYVGQCMBQ-CYBMUJFWSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1ccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488536927 383556822 /nfs/dbraw/zinc/55/68/22/383556822.db2.gz XNSFCHPLYDHNMZ-INIZCTEOSA-N 1 1 291.395 2.675 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770653 383567894 /nfs/dbraw/zinc/56/78/94/383567894.db2.gz KSXKGUBJEIILMA-VXGBXAGGSA-N 1 1 296.342 2.717 20 5 CFBDMO CO[C@@H](C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546740 383641658 /nfs/dbraw/zinc/64/16/58/383641658.db2.gz JOSWFVZGXIPODB-JSGCOSHPSA-N 1 1 278.352 2.809 20 5 CFBDMO CC[C@](C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548460 383642379 /nfs/dbraw/zinc/64/23/79/383642379.db2.gz NKNNUBLAWCWLEV-HOCLYGCPSA-N 1 1 292.379 2.935 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccon3)C2)cc1 ZINC000451549206 383642445 /nfs/dbraw/zinc/64/24/45/383642445.db2.gz PEFSSJNQAYWQMM-ZDUSSCGKSA-N 1 1 287.319 2.962 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccon3)C2)cc1 ZINC000451549206 383642448 /nfs/dbraw/zinc/64/24/48/383642448.db2.gz PEFSSJNQAYWQMM-ZDUSSCGKSA-N 1 1 287.319 2.962 20 5 CFBDMO CC(C)[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553282 383645332 /nfs/dbraw/zinc/64/53/32/383645332.db2.gz YAXNKQKNHVDFRL-GOEBONIOSA-N 1 1 292.379 2.791 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552583 383645461 /nfs/dbraw/zinc/64/54/61/383645461.db2.gz YWXHEBDZNVQGJX-NHYWBVRUSA-N 1 1 296.342 2.981 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552583 383645462 /nfs/dbraw/zinc/64/54/62/383645462.db2.gz YWXHEBDZNVQGJX-NHYWBVRUSA-N 1 1 296.342 2.981 20 5 CFBDMO CC1=C(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280860637 195005783 /nfs/dbraw/zinc/00/57/83/195005783.db2.gz YSNAPRVANIEOTC-HNNXBMFYSA-N 1 1 276.336 2.670 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451626206 383670074 /nfs/dbraw/zinc/67/00/74/383670074.db2.gz RUSWBARDTOTOEF-HEHGZKQESA-N 1 1 289.379 2.600 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451626206 383670087 /nfs/dbraw/zinc/67/00/87/383670087.db2.gz RUSWBARDTOTOEF-HEHGZKQESA-N 1 1 289.379 2.600 20 5 CFBDMO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000453141832 383782015 /nfs/dbraw/zinc/78/20/15/383782015.db2.gz UBLIOECQMYPXHT-UONOGXRCSA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]12 ZINC000531381595 383859166 /nfs/dbraw/zinc/85/91/66/383859166.db2.gz QQKKNRZMWQFNRY-HZSPNIEDSA-N 1 1 292.383 2.692 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000573157869 383880912 /nfs/dbraw/zinc/88/09/12/383880912.db2.gz CVTZFBTXIOHNMK-GFCCVEGCSA-N 1 1 278.356 2.501 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C(C)(C)C ZINC000572875329 383831498 /nfs/dbraw/zinc/83/14/98/383831498.db2.gz CHHVUVCDMIVCDJ-UHFFFAOYSA-N 1 1 252.314 2.834 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000573365137 383918186 /nfs/dbraw/zinc/91/81/86/383918186.db2.gz QZSWSVIGXRLIOU-UHFFFAOYSA-N 1 1 262.313 2.701 20 5 CFBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000438334597 383984879 /nfs/dbraw/zinc/98/48/79/383984879.db2.gz MAJXFSABONEWND-PKYBCLHXSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000531962930 383949102 /nfs/dbraw/zinc/94/91/02/383949102.db2.gz JJFFEGVGUAQAIC-QWHCGFSZSA-N 1 1 279.384 2.894 20 5 CFBDMO CC[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983860 383953753 /nfs/dbraw/zinc/95/37/53/383953753.db2.gz CQLYRTRIRNTEKL-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983860 383953762 /nfs/dbraw/zinc/95/37/62/383953762.db2.gz CQLYRTRIRNTEKL-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO O=C(CC[N@H+]1CCC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000573899913 384007731 /nfs/dbraw/zinc/00/77/31/384007731.db2.gz DDBOLYIRDBNZNR-UHFFFAOYSA-N 1 1 289.335 2.552 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000573917055 384012096 /nfs/dbraw/zinc/01/20/96/384012096.db2.gz LPMPGVGLTSNSDR-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000573917055 384012102 /nfs/dbraw/zinc/01/21/02/384012102.db2.gz LPMPGVGLTSNSDR-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598016 384110624 /nfs/dbraw/zinc/11/06/24/384110624.db2.gz MTGSIUXXVSQRMI-OQPBUACISA-N 1 1 297.305 2.768 20 5 CFBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@H]1C ZINC000444672560 285093293 /nfs/dbraw/zinc/09/32/93/285093293.db2.gz HDFXKGZZFDGVII-VXGBXAGGSA-N 1 1 280.372 2.729 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266990315 384274692 /nfs/dbraw/zinc/27/46/92/384274692.db2.gz AMNTYIDEYCNWBJ-YPMHNXCESA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189364 384559271 /nfs/dbraw/zinc/55/92/71/384559271.db2.gz VHROSFUQOUVXLY-PELKAZGASA-N 1 1 296.758 2.538 20 5 CFBDMO CO[C@]1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000279409194 384628016 /nfs/dbraw/zinc/62/80/16/384628016.db2.gz VTTZESSLANHSTJ-GFCCVEGCSA-N 1 1 270.354 2.657 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000279409194 384628023 /nfs/dbraw/zinc/62/80/23/384628023.db2.gz VTTZESSLANHSTJ-GFCCVEGCSA-N 1 1 270.354 2.657 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000280666288 385107266 /nfs/dbraw/zinc/10/72/66/385107266.db2.gz TXNRMJXOUWJWLF-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000286127646 285156027 /nfs/dbraw/zinc/15/60/27/285156027.db2.gz GNHAXJDWDFMJFZ-UHFFFAOYSA-N 1 1 290.298 2.841 20 5 CFBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270813117 385235381 /nfs/dbraw/zinc/23/53/81/385235381.db2.gz WZZBTGJCXPQWKG-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282421070 385307056 /nfs/dbraw/zinc/30/70/56/385307056.db2.gz BPJUAVANGJJDOJ-NSHDSACASA-N 1 1 292.364 2.557 20 5 CFBDMO CC1=CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282625354 385356410 /nfs/dbraw/zinc/35/64/10/385356410.db2.gz AKQFAUVARQECIM-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282625354 385356417 /nfs/dbraw/zinc/35/64/17/385356417.db2.gz AKQFAUVARQECIM-UHFFFAOYSA-N 1 1 250.273 2.886 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651979 385361845 /nfs/dbraw/zinc/36/18/45/385361845.db2.gz CIYVZMQRAHZIMJ-LSDHHAIUSA-N 1 1 296.342 2.859 20 5 CFBDMO C=Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283043521 385428188 /nfs/dbraw/zinc/42/81/88/385428188.db2.gz OGPXYDXKTUYLEG-UHFFFAOYSA-N 1 1 286.335 2.566 20 5 CFBDMO CC(C)[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283628835 385482988 /nfs/dbraw/zinc/48/29/88/385482988.db2.gz BFCLVPAIMAYRCU-CYBMUJFWSA-N 1 1 286.759 2.697 20 5 CFBDMO CC(C)[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283628835 385482992 /nfs/dbraw/zinc/48/29/92/385482992.db2.gz BFCLVPAIMAYRCU-CYBMUJFWSA-N 1 1 286.759 2.697 20 5 CFBDMO Cc1nn(CCCn2cc[nH+]c2C)c2ccc([N+](=O)[O-])cc12 ZINC000272326296 385510898 /nfs/dbraw/zinc/51/08/98/385510898.db2.gz CISUDTOJSYEIKQ-UHFFFAOYSA-N 1 1 299.334 2.848 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000272479310 385548005 /nfs/dbraw/zinc/54/80/05/385548005.db2.gz GMZHQPZVWUNGJR-DZGCQCFKSA-N 1 1 278.352 2.578 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCC[C@@H]1O ZINC000272537187 385560773 /nfs/dbraw/zinc/56/07/73/385560773.db2.gz NDTFEWJQFVZWEU-WFASDCNBSA-N 1 1 296.342 2.717 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000288805827 197169553 /nfs/dbraw/zinc/16/95/53/197169553.db2.gz MCAQSIZHLVAWDA-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286338923 385593010 /nfs/dbraw/zinc/59/30/10/385593010.db2.gz KRLMVRLCSMIANX-PBWFPOADSA-N 1 1 289.379 2.965 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287192836 385800308 /nfs/dbraw/zinc/80/03/08/385800308.db2.gz HSGHJVHDIYDIBA-CYBMUJFWSA-N 1 1 292.383 2.853 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154610 385947675 /nfs/dbraw/zinc/94/76/75/385947675.db2.gz QCLPBJJVVCMCPP-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCCO1 ZINC000281391117 195221716 /nfs/dbraw/zinc/22/17/16/195221716.db2.gz WVDVATQBVAYMPW-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000191821521 130311663 /nfs/dbraw/zinc/31/16/63/130311663.db2.gz RDZSOTCNAPHEHZ-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO CC(C)c1ccc(CN[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342216414 130389687 /nfs/dbraw/zinc/38/96/87/130389687.db2.gz XJJWMILQTZUTJN-GFCCVEGCSA-N 1 1 279.384 2.758 20 5 CFBDMO CC[N@@H+](CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])C1CC1 ZINC000263765050 131325547 /nfs/dbraw/zinc/32/55/47/131325547.db2.gz RPCOEFARDIHREJ-UHFFFAOYSA-N 1 1 291.351 2.694 20 5 CFBDMO CCc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000302112870 393488912 /nfs/dbraw/zinc/48/89/12/393488912.db2.gz VBHQVGHYVQQDDO-UHFFFAOYSA-N 1 1 298.346 2.818 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000183366136 393519901 /nfs/dbraw/zinc/51/99/01/393519901.db2.gz MDVKPUGBTOTXSC-HNNXBMFYSA-N 1 1 276.336 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000183366136 393519906 /nfs/dbraw/zinc/51/99/06/393519906.db2.gz MDVKPUGBTOTXSC-HNNXBMFYSA-N 1 1 276.336 2.514 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000311565223 393519933 /nfs/dbraw/zinc/51/99/33/393519933.db2.gz DLUHATSJHRIOFV-SNVBAGLBSA-N 1 1 269.320 2.876 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC000313860717 393524412 /nfs/dbraw/zinc/52/44/12/393524412.db2.gz VZAQXNRBSDADFS-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000376743625 393524742 /nfs/dbraw/zinc/52/47/42/393524742.db2.gz XEDAKJNBDHRYDI-UHFFFAOYSA-N 1 1 286.335 2.941 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331496935 393555946 /nfs/dbraw/zinc/55/59/46/393555946.db2.gz NKGPSCWOOPMYOP-AOOOYVTPSA-N 1 1 274.324 2.844 20 5 CFBDMO C[C@H](c1cccnc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332540913 393561693 /nfs/dbraw/zinc/56/16/93/393561693.db2.gz XOOKEFLYAZRLGN-LLVKDONJSA-N 1 1 284.319 2.504 20 5 CFBDMO C[C@H](c1cccnc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332540913 393561697 /nfs/dbraw/zinc/56/16/97/393561697.db2.gz XOOKEFLYAZRLGN-LLVKDONJSA-N 1 1 284.319 2.504 20 5 CFBDMO CCN1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077249110 393697110 /nfs/dbraw/zinc/69/71/10/393697110.db2.gz WODOPSAGWLVHGW-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO CCN1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077249110 393697113 /nfs/dbraw/zinc/69/71/13/393697113.db2.gz WODOPSAGWLVHGW-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cncs1)CC2 ZINC000411331230 393701302 /nfs/dbraw/zinc/70/13/02/393701302.db2.gz LPQQPHAUPGTQOQ-UHFFFAOYSA-N 1 1 289.360 2.652 20 5 CFBDMO CC(C)(C)OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605459 393763607 /nfs/dbraw/zinc/76/36/07/393763607.db2.gz PVEAAOCDCOWBRV-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO CC(C)(C)OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605459 393763610 /nfs/dbraw/zinc/76/36/10/393763610.db2.gz PVEAAOCDCOWBRV-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO CC[C@]1(O)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470201640 393898713 /nfs/dbraw/zinc/89/87/13/393898713.db2.gz IPYWKDHZZYNSEF-OVHOFWQVSA-N 1 1 290.363 2.845 20 5 CFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424367399 393840440 /nfs/dbraw/zinc/84/04/40/393840440.db2.gz LXCXTWRVVMYJHA-BPLDGKMQSA-N 1 1 291.395 2.775 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429117013 393940151 /nfs/dbraw/zinc/94/01/51/393940151.db2.gz OQUCCSZLHRQCOJ-UWVGGRQHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429117013 393940156 /nfs/dbraw/zinc/94/01/56/393940156.db2.gz OQUCCSZLHRQCOJ-UWVGGRQHSA-N 1 1 284.743 2.593 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)C ZINC000430217718 393969584 /nfs/dbraw/zinc/96/95/84/393969584.db2.gz KJGBCZOMGJCVEQ-UHFFFAOYSA-N 1 1 252.314 2.691 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000430223617 393970515 /nfs/dbraw/zinc/97/05/15/393970515.db2.gz YEGWNEZCWHURNL-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266925523 393984786 /nfs/dbraw/zinc/98/47/86/393984786.db2.gz ZGWADJDDIJHIPS-QJPTWQEYSA-N 1 1 293.367 2.549 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125310688 394004552 /nfs/dbraw/zinc/00/45/52/394004552.db2.gz TXYPYPPDHSNMQW-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CCOC1)C1CC1 ZINC000437575198 394059691 /nfs/dbraw/zinc/05/96/91/394059691.db2.gz HKUCSZNMQJFQGP-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220986 394105594 /nfs/dbraw/zinc/10/55/94/394105594.db2.gz PYEAFUUMGYGPRW-DUVNUKRYSA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000273504993 394034731 /nfs/dbraw/zinc/03/47/31/394034731.db2.gz ZLLUKFCTVHLOGG-GJZGRUSLSA-N 1 1 276.336 2.657 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000273504993 394034735 /nfs/dbraw/zinc/03/47/35/394034735.db2.gz ZLLUKFCTVHLOGG-GJZGRUSLSA-N 1 1 276.336 2.657 20 5 CFBDMO CC[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000419230464 394034795 /nfs/dbraw/zinc/03/47/95/394034795.db2.gz IPWSTGLCEATHOJ-OAHLLOKOSA-N 1 1 278.352 2.984 20 5 CFBDMO COc1ccc(CNc2[nH+]cccc2C)cc1[N+](=O)[O-] ZINC000130998151 394123177 /nfs/dbraw/zinc/12/31/77/394123177.db2.gz JHFFEZIJWGLBJH-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO CC(C)COCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282640075 394126031 /nfs/dbraw/zinc/12/60/31/394126031.db2.gz KKVLCGSCTYZREG-UHFFFAOYSA-N 1 1 266.341 2.699 20 5 CFBDMO CC(C)COCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282640075 394126035 /nfs/dbraw/zinc/12/60/35/394126035.db2.gz KKVLCGSCTYZREG-UHFFFAOYSA-N 1 1 266.341 2.699 20 5 CFBDMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047921 394144470 /nfs/dbraw/zinc/14/44/70/394144470.db2.gz OIEAKFWIKYBMJD-GFCCVEGCSA-N 1 1 295.358 2.820 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360082415 394145494 /nfs/dbraw/zinc/14/54/94/394145494.db2.gz LGWFFXVHVXFWCI-HNNXBMFYSA-N 1 1 295.358 2.819 20 5 CFBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000420995134 394149788 /nfs/dbraw/zinc/14/97/88/394149788.db2.gz DDXHKVGOAPVJQX-CYBMUJFWSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000420991513 394149822 /nfs/dbraw/zinc/14/98/22/394149822.db2.gz IWMBZLJSVVFMSW-HNNXBMFYSA-N 1 1 290.363 2.517 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c(F)c1 ZINC000421006683 394154766 /nfs/dbraw/zinc/15/47/66/394154766.db2.gz BKNBCEBUIGPMFN-LBPRGKRZSA-N 1 1 296.342 2.718 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000421025213 394162178 /nfs/dbraw/zinc/16/21/78/394162178.db2.gz YEWWLVDPSZJHJN-AWEZNQCLSA-N 1 1 292.379 2.622 20 5 CFBDMO C[N@H+](CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135261389 394214952 /nfs/dbraw/zinc/21/49/52/394214952.db2.gz OAZQBOIMBGXNLA-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO C[N@@H+](CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135261389 394214957 /nfs/dbraw/zinc/21/49/57/394214957.db2.gz OAZQBOIMBGXNLA-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO CC[C@H](C)[N@H+](C)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118613 394219123 /nfs/dbraw/zinc/21/91/23/394219123.db2.gz TXWNDBSUBPCIIO-KGLIPLIRSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118613 394219128 /nfs/dbraw/zinc/21/91/28/394219128.db2.gz TXWNDBSUBPCIIO-KGLIPLIRSA-N 1 1 293.411 2.846 20 5 CFBDMO C[C@H]1CCOCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367700440 394260473 /nfs/dbraw/zinc/26/04/73/394260473.db2.gz BZVZUCQBHDTWSK-BPJJOFIESA-N 1 1 276.336 2.719 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153587019 394286360 /nfs/dbraw/zinc/28/63/60/394286360.db2.gz ICOVQOLZVOISJN-SNVBAGLBSA-N 1 1 298.774 2.787 20 5 CFBDMO Cc1cccc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450548528 394294932 /nfs/dbraw/zinc/29/49/32/394294932.db2.gz SISFTQNCWBLXMU-LBPRGKRZSA-N 1 1 289.379 2.824 20 5 CFBDMO C[N@@H+](CCc1nccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000157969103 394352540 /nfs/dbraw/zinc/35/25/40/394352540.db2.gz UMOMHXIQNSVSPQ-UHFFFAOYSA-N 1 1 291.376 2.768 20 5 CFBDMO COC[C@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451204328 394368546 /nfs/dbraw/zinc/36/85/46/394368546.db2.gz WLNVXGBUCJNEJA-CQSZACIVSA-N 1 1 282.315 2.592 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451204328 394368548 /nfs/dbraw/zinc/36/85/48/394368548.db2.gz WLNVXGBUCJNEJA-CQSZACIVSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1cc(N2CCC[N@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000171831380 394372471 /nfs/dbraw/zinc/37/24/71/394372471.db2.gz NJSBFPHCYDMHEU-UHFFFAOYSA-N 1 1 275.352 2.578 20 5 CFBDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451292274 394374407 /nfs/dbraw/zinc/37/44/07/394374407.db2.gz SMUFTBZWXUFONX-CQSZACIVSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1c([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438206 394973852 /nfs/dbraw/zinc/97/38/52/394973852.db2.gz CKSLUARYJRNDPW-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438206 394973854 /nfs/dbraw/zinc/97/38/54/394973854.db2.gz CKSLUARYJRNDPW-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421009357 397571490 /nfs/dbraw/zinc/57/14/90/397571490.db2.gz PXWNIISELYPOFX-IUODEOHRSA-N 1 1 277.368 2.682 20 5 CFBDMO Cc1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000369958385 292130113 /nfs/dbraw/zinc/13/01/13/292130113.db2.gz LTNODEMKRODNCG-CYBMUJFWSA-N 1 1 275.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000374874122 292295427 /nfs/dbraw/zinc/29/54/27/292295427.db2.gz JSFBFKGPNOIPSR-DGCLKSJQSA-N 1 1 278.352 2.933 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190875019 292296395 /nfs/dbraw/zinc/29/63/95/292296395.db2.gz CUIVMXHOIBGEGM-AGIUHOORSA-N 1 1 278.352 2.524 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000348242541 154376124 /nfs/dbraw/zinc/37/61/24/154376124.db2.gz ROSWBFZPKGPYED-HNNXBMFYSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000360211576 156052185 /nfs/dbraw/zinc/05/21/85/156052185.db2.gz FJKLXHVNKGWAMW-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366918075 156254710 /nfs/dbraw/zinc/25/47/10/156254710.db2.gz SYZLIRUOTHCJNJ-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367439408 156333164 /nfs/dbraw/zinc/33/31/64/156333164.db2.gz UJCTYLCWSOMWRA-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)cs1 ZINC000373987878 157053466 /nfs/dbraw/zinc/05/34/66/157053466.db2.gz LYBUJZAYGPIZNU-UHFFFAOYSA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375305616 157224466 /nfs/dbraw/zinc/22/44/66/157224466.db2.gz XIWKNMAQYHKMBI-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1NCc1c[nH+]c2n1CCCC2 ZINC000376475359 157360103 /nfs/dbraw/zinc/36/01/03/157360103.db2.gz SRFACGGQGNQZTO-UHFFFAOYSA-N 1 1 290.298 2.879 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342405819 161622731 /nfs/dbraw/zinc/62/27/31/161622731.db2.gz JLGQIRORUFOXGD-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430344 162042483 /nfs/dbraw/zinc/04/24/83/162042483.db2.gz JROLOXXITBNZMC-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000344634796 162085576 /nfs/dbraw/zinc/08/55/76/162085576.db2.gz NCQCNNKRXONFLN-SECBINFHSA-N 1 1 279.271 2.605 20 5 CFBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836284 163023165 /nfs/dbraw/zinc/02/31/65/163023165.db2.gz RMGWEBMPJBRUDH-GXTWGEPZSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836284 163023168 /nfs/dbraw/zinc/02/31/68/163023168.db2.gz RMGWEBMPJBRUDH-GXTWGEPZSA-N 1 1 278.352 2.903 20 5 CFBDMO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765464 163190604 /nfs/dbraw/zinc/19/06/04/163190604.db2.gz BMFUCFAYJHXNDG-MFKMUULPSA-N 1 1 291.351 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCCF)CCO2 ZINC000352679829 163221615 /nfs/dbraw/zinc/22/16/15/163221615.db2.gz RVDSZQRYYOYZHV-UHFFFAOYSA-N 1 1 282.315 2.929 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCCF)CCO2 ZINC000352679829 163221617 /nfs/dbraw/zinc/22/16/17/163221617.db2.gz RVDSZQRYYOYZHV-UHFFFAOYSA-N 1 1 282.315 2.929 20 5 CFBDMO C[C@H]1CC[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353458322 163370750 /nfs/dbraw/zinc/37/07/50/163370750.db2.gz BOMQWDCNCIEYGR-VSKVDJIOSA-N 1 1 289.379 2.634 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353467261 163372112 /nfs/dbraw/zinc/37/21/12/163372112.db2.gz LBXMYXRQJYPGJO-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO CN(C)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368184 172159860 /nfs/dbraw/zinc/15/98/60/172159860.db2.gz HVMPYTVYFBIECW-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO Cc1nnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285293982 196242992 /nfs/dbraw/zinc/24/29/92/196242992.db2.gz KONGLNKFYVRZLK-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1nnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285293982 196242995 /nfs/dbraw/zinc/24/29/95/196242995.db2.gz KONGLNKFYVRZLK-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO CN(CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[N@H+]1C ZINC000285399540 196272028 /nfs/dbraw/zinc/27/20/28/196272028.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 1 1 291.395 2.553 20 5 CFBDMO Cn1nccc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285478202 196296904 /nfs/dbraw/zinc/29/69/04/196296904.db2.gz CLSCSBPMVJHHQG-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO Cn1nccc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285478202 196296906 /nfs/dbraw/zinc/29/69/06/196296906.db2.gz CLSCSBPMVJHHQG-UHFFFAOYSA-N 1 1 298.346 2.618 20 5 CFBDMO CCC[C@H](NC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087859 174100689 /nfs/dbraw/zinc/10/06/89/174100689.db2.gz ASXPUHCOQUZHOP-DOMZBBRYSA-N 1 1 279.384 2.976 20 5 CFBDMO Cc1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000044537751 175200223 /nfs/dbraw/zinc/20/02/23/175200223.db2.gz LWIFOFMZMXZWKQ-GFCCVEGCSA-N 1 1 263.341 2.657 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044685825 175231419 /nfs/dbraw/zinc/23/14/19/175231419.db2.gz IOEMCKOFLSLEKI-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044685825 175231420 /nfs/dbraw/zinc/23/14/20/175231420.db2.gz IOEMCKOFLSLEKI-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO C[C@H]1CC[N@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999645 265291480 /nfs/dbraw/zinc/29/14/80/265291480.db2.gz IQGLWTBOSSWHIJ-WFASDCNBSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@H]1CC[N@@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999645 265291482 /nfs/dbraw/zinc/29/14/82/265291482.db2.gz IQGLWTBOSSWHIJ-WFASDCNBSA-N 1 1 289.379 2.514 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000192828822 270234496 /nfs/dbraw/zinc/23/44/96/270234496.db2.gz PSBNFXJXQPLAHW-UHFFFAOYSA-N 1 1 291.351 2.634 20 5 CFBDMO CCc1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000517171988 270398770 /nfs/dbraw/zinc/39/87/70/270398770.db2.gz CRZGGHPCEPMUSX-ZDUSSCGKSA-N 1 1 287.319 2.922 20 5 CFBDMO CO[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353227514 274055118 /nfs/dbraw/zinc/05/51/18/274055118.db2.gz HRDNLXFEWVWNOY-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353227514 274055120 /nfs/dbraw/zinc/05/51/20/274055120.db2.gz HRDNLXFEWVWNOY-VIFPVBQESA-N 1 1 272.732 2.715 20 5 CFBDMO COc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343609328 274097659 /nfs/dbraw/zinc/09/76/59/274097659.db2.gz RSBDYFYEIKLGMW-MWLCHTKSSA-N 1 1 297.330 2.637 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444690541 274303145 /nfs/dbraw/zinc/30/31/45/274303145.db2.gz UCIGSZKSLCCAHY-GHMZBOCLSA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444690541 274303148 /nfs/dbraw/zinc/30/31/48/274303148.db2.gz UCIGSZKSLCCAHY-GHMZBOCLSA-N 1 1 288.351 2.949 20 5 CFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189365 274344737 /nfs/dbraw/zinc/34/47/37/274344737.db2.gz VHROSFUQOUVXLY-PRHODGIISA-N 1 1 296.758 2.538 20 5 CFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000411478902 275041656 /nfs/dbraw/zinc/04/16/56/275041656.db2.gz LBEOBJGDDDZPGW-WBVHZDCISA-N 1 1 295.342 2.904 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000265989905 276002085 /nfs/dbraw/zinc/00/20/85/276002085.db2.gz FPLTXOZBLWRYNH-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO CC[N@H+](CCN[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112851 276131940 /nfs/dbraw/zinc/13/19/40/276131940.db2.gz TXIIBFHOEHOINU-CQSZACIVSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112851 276131942 /nfs/dbraw/zinc/13/19/42/276131942.db2.gz TXIIBFHOEHOINU-CQSZACIVSA-N 1 1 293.411 2.846 20 5 CFBDMO CC1(C)C[C@@H]([NH2+][C@H](CN)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265456 276143488 /nfs/dbraw/zinc/14/34/88/276143488.db2.gz AVJQKMCHSOGDRX-HUUCEWRRSA-N 1 1 289.379 2.644 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1c(C)cccc1[N+](=O)[O-] ZINC000112208897 276175334 /nfs/dbraw/zinc/17/53/34/276175334.db2.gz XMHFNQPIXABPOR-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000346166008 276242044 /nfs/dbraw/zinc/24/20/44/276242044.db2.gz ARKYBXPSDICJLX-NWDGAFQWSA-N 1 1 295.358 2.648 20 5 CFBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000266041467 276255823 /nfs/dbraw/zinc/25/58/23/276255823.db2.gz WGURHZCWPKQBOM-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096879 276399218 /nfs/dbraw/zinc/39/92/18/276399218.db2.gz TXXQCUNHTCPDPG-HIFRSBDPSA-N 1 1 291.395 2.757 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000268818313 277084861 /nfs/dbraw/zinc/08/48/61/277084861.db2.gz JCEOAYDMKZSYKS-QWHCGFSZSA-N 1 1 275.352 2.515 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000352611078 277276262 /nfs/dbraw/zinc/27/62/62/277276262.db2.gz CDXHNWQFGHFRFW-NSHDSACASA-N 1 1 284.331 2.979 20 5 CFBDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246128244 277285538 /nfs/dbraw/zinc/28/55/38/277285538.db2.gz OOFFSOVFFSDWSI-BXUZGUMPSA-N 1 1 264.325 2.767 20 5 CFBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCC[C@H]1C ZINC000444672557 279233832 /nfs/dbraw/zinc/23/38/32/279233832.db2.gz HDFXKGZZFDGVII-NEPJUHHUSA-N 1 1 280.372 2.729 20 5 CFBDMO CC(C)[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487046739 280016272 /nfs/dbraw/zinc/01/62/72/280016272.db2.gz NGSPYABNZPGCOR-AWEZNQCLSA-N 1 1 281.331 2.510 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1Cn1c[nH+]c2c1CCCC2 ZINC000130431001 280365133 /nfs/dbraw/zinc/36/51/33/280365133.db2.gz SDRDCOUYRBVDJP-UHFFFAOYSA-N 1 1 275.283 2.858 20 5 CFBDMO CCn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183802472 280822921 /nfs/dbraw/zinc/82/29/21/280822921.db2.gz ZUWMYXQUUZGBOL-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000378272944 281015261 /nfs/dbraw/zinc/01/52/61/281015261.db2.gz QCRBGEWBTUNUBB-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000378272944 281015262 /nfs/dbraw/zinc/01/52/62/281015262.db2.gz QCRBGEWBTUNUBB-AWEZNQCLSA-N 1 1 298.346 2.897 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247746590 281016254 /nfs/dbraw/zinc/01/62/54/281016254.db2.gz YGLDTJBKYBHGOL-NWDGAFQWSA-N 1 1 293.367 2.900 20 5 CFBDMO CC(=O)c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290600292 281135975 /nfs/dbraw/zinc/13/59/75/281135975.db2.gz DTGLSCORQWYTKC-LLVKDONJSA-N 1 1 293.367 2.938 20 5 CFBDMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278926 281210105 /nfs/dbraw/zinc/21/01/05/281210105.db2.gz ZCTSJYQGSFEYRE-VHSXEESVSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000399278926 281210106 /nfs/dbraw/zinc/21/01/06/281210106.db2.gz ZCTSJYQGSFEYRE-VHSXEESVSA-N 1 1 284.743 2.593 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(C)(C)C1 ZINC000430237768 281232612 /nfs/dbraw/zinc/23/26/12/281232612.db2.gz PQZKDRZQQVATBO-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO Cc1cc[nH+]c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000268325246 281459881 /nfs/dbraw/zinc/45/98/81/281459881.db2.gz OJJIUPMVBRWSPI-UHFFFAOYSA-N 1 1 298.346 2.625 20 5 CFBDMO CCc1[nH+]ccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000158413118 289975008 /nfs/dbraw/zinc/97/50/08/289975008.db2.gz XRHMDDJWFNYOGV-UHFFFAOYSA-N 1 1 272.264 2.543 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163262073 322374525 /nfs/dbraw/zinc/37/45/25/322374525.db2.gz WIFGKLLJUUZTRC-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163262073 322374528 /nfs/dbraw/zinc/37/45/28/322374528.db2.gz WIFGKLLJUUZTRC-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000582843734 325239045 /nfs/dbraw/zinc/23/90/45/325239045.db2.gz WTMMFOBGVWBWLN-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000582843734 325239046 /nfs/dbraw/zinc/23/90/46/325239046.db2.gz WTMMFOBGVWBWLN-HNNXBMFYSA-N 1 1 276.336 2.596 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000068853661 520536408 /nfs/dbraw/zinc/53/64/08/520536408.db2.gz MARQVKXZDZFYST-UHFFFAOYSA-N 1 1 272.370 2.905 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218840706 521626555 /nfs/dbraw/zinc/62/65/55/521626555.db2.gz XPNFGSZMBMOTPA-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007811805 533793534 /nfs/dbraw/zinc/79/35/34/533793534.db2.gz DCVPVUKTNVTSGL-TXEJJXNPSA-N 1 1 291.351 2.511 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007811805 533793544 /nfs/dbraw/zinc/79/35/44/533793544.db2.gz DCVPVUKTNVTSGL-TXEJJXNPSA-N 1 1 291.351 2.511 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156406506 519687743 /nfs/dbraw/zinc/68/77/43/519687743.db2.gz NOPZPLRUIYLNAO-SNVBAGLBSA-N 1 1 267.304 2.629 20 5 CFBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000172170245 520358543 /nfs/dbraw/zinc/35/85/43/520358543.db2.gz YIWDRUCGOJLVTI-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO CCCC[N@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000068853661 520536398 /nfs/dbraw/zinc/53/63/98/520536398.db2.gz MARQVKXZDZFYST-UHFFFAOYSA-N 1 1 272.370 2.905 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668673 521596319 /nfs/dbraw/zinc/59/63/19/521596319.db2.gz RSEUSMVYABGAGV-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313131045 521640635 /nfs/dbraw/zinc/64/06/35/521640635.db2.gz QGJHEULZUKHYCF-LLVKDONJSA-N 1 1 281.331 2.939 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245428295 521713325 /nfs/dbraw/zinc/71/33/25/521713325.db2.gz MLRAUKWBLTUSEO-WCQYABFASA-N 1 1 297.424 2.818 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000220302973 522059124 /nfs/dbraw/zinc/05/91/24/522059124.db2.gz SIEBEUOLVTWQHF-LLVKDONJSA-N 1 1 281.356 2.746 20 5 CFBDMO CC[C@H]([NH2+][C@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553780 522732289 /nfs/dbraw/zinc/73/22/89/522732289.db2.gz SQGNKSXFXSSMNP-DOMZBBRYSA-N 1 1 279.384 2.976 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227119685 522732646 /nfs/dbraw/zinc/73/26/46/522732646.db2.gz QRBKHOMVQVNXAI-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000065536517 522911201 /nfs/dbraw/zinc/91/12/01/522911201.db2.gz FSAUHNPYPPPKKY-UHFFFAOYSA-N 1 1 292.257 2.858 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361420313 522975288 /nfs/dbraw/zinc/97/52/88/522975288.db2.gz NBMZBFMRSDIEIP-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350845 523264945 /nfs/dbraw/zinc/26/49/45/523264945.db2.gz XXYRZIYMMXVVAI-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO C[N@H+]1CC[C@@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191209547 523962068 /nfs/dbraw/zinc/96/20/68/523962068.db2.gz CTZDJVMGWQQLKX-GFCCVEGCSA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000310874458 524620685 /nfs/dbraw/zinc/62/06/85/524620685.db2.gz UDMJJIOJPQXRDO-AOOOYVTPSA-N 1 1 252.289 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCCNc2cccc(C)[nH+]2)n1 ZINC000360882798 524676035 /nfs/dbraw/zinc/67/60/35/524676035.db2.gz JBRQQSPAHIRYJJ-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1CNc1cccc(C)[nH+]1 ZINC000157185572 525464208 /nfs/dbraw/zinc/46/42/08/525464208.db2.gz FEHJYUZRGHJOLM-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000166247095 525730143 /nfs/dbraw/zinc/73/01/43/525730143.db2.gz ZNEQDSOBUSWKJC-MLGOLLRUSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000049553666 525940940 /nfs/dbraw/zinc/94/09/40/525940940.db2.gz STSSAUKYOCBMDB-OLZOCXBDSA-N 1 1 279.384 2.894 20 5 CFBDMO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000231885097 526027635 /nfs/dbraw/zinc/02/76/35/526027635.db2.gz HEUPHTFFIBQQMC-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172347475 526078298 /nfs/dbraw/zinc/07/82/98/526078298.db2.gz BDYKDOSNQRJMID-ZDUSSCGKSA-N 1 1 289.379 2.826 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050445201 527332224 /nfs/dbraw/zinc/33/22/24/527332224.db2.gz UXQFBOIDFXQESM-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000050445201 527332233 /nfs/dbraw/zinc/33/22/33/527332233.db2.gz UXQFBOIDFXQESM-CYBMUJFWSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1nccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000339411205 527337936 /nfs/dbraw/zinc/33/79/36/527337936.db2.gz VKYRDMGQIUVSLX-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154430094 527357445 /nfs/dbraw/zinc/35/74/45/527357445.db2.gz QKZJZAWXNUTYTQ-PXTSUWAFSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000366077687 527358704 /nfs/dbraw/zinc/35/87/04/527358704.db2.gz MJODNVRVPZTCAJ-SNVBAGLBSA-N 1 1 290.298 2.920 20 5 CFBDMO COC[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544899 536521649 /nfs/dbraw/zinc/52/16/49/536521649.db2.gz GDQAKYSVDWCZSD-OCCSQVGLSA-N 1 1 278.352 2.809 20 5 CFBDMO CC(C)C[C@@H](CN)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265339 528310254 /nfs/dbraw/zinc/31/02/54/528310254.db2.gz QUERPOLDCDTCNP-XJKSGUPXSA-N 1 1 291.395 2.935 20 5 CFBDMO CC(C)[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413105416 528823325 /nfs/dbraw/zinc/82/33/25/528823325.db2.gz IFHUVWNXMGQWOS-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CCCC[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000342175362 535225900 /nfs/dbraw/zinc/22/59/00/535225900.db2.gz ZJPXAUCPDXRABQ-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO CC(C)C[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746061909 574132225 /nfs/dbraw/zinc/13/22/25/574132225.db2.gz NUAHBAYJWIZOFL-UHFFFAOYSA-N 1 1 288.351 2.907 20 5 CFBDMO CC(C)C[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746061909 574132226 /nfs/dbraw/zinc/13/22/26/574132226.db2.gz NUAHBAYJWIZOFL-UHFFFAOYSA-N 1 1 288.351 2.907 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000732805886 574173253 /nfs/dbraw/zinc/17/32/53/574173253.db2.gz RYUHYNAUMXWLAP-UHFFFAOYSA-N 1 1 269.320 2.878 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881423 574272264 /nfs/dbraw/zinc/27/22/64/574272264.db2.gz BAAXAGXFLQERFM-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079463 574323177 /nfs/dbraw/zinc/32/31/77/574323177.db2.gz VTYGLNZKDXIIJL-SWLSCSKDSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000742427782 574330067 /nfs/dbraw/zinc/33/00/67/574330067.db2.gz PDKSHCUYLOWTDQ-SECBINFHSA-N 1 1 284.747 2.539 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000891863078 617791418 /nfs/dbraw/zinc/79/14/18/617791418.db2.gz ULOVEZYERZMWBB-MNOVXSKESA-N 1 1 294.351 2.929 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000892403265 618228423 /nfs/dbraw/zinc/22/84/23/618228423.db2.gz KSEOVFWHQPKYOA-NSHDSACASA-N 1 1 280.324 2.539 20 5 CFBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000062351057 618376018 /nfs/dbraw/zinc/37/60/18/618376018.db2.gz NLJGKWHKDCJKBW-HNNXBMFYSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCCC[C@H]1CO ZINC000895151941 618398250 /nfs/dbraw/zinc/39/82/50/618398250.db2.gz OFAPQFDKIUYSRB-LYASGUKUSA-N 1 1 290.363 2.845 20 5 CFBDMO CN(CC[N@@H+](C)C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804621010 618423553 /nfs/dbraw/zinc/42/35/53/618423553.db2.gz DKEZWPZXGSKABY-UHFFFAOYSA-N 1 1 283.759 2.779 20 5 CFBDMO Cc1ncoc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000894194011 618435783 /nfs/dbraw/zinc/43/57/83/618435783.db2.gz WXQJWEVCQWPGQO-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[C@H](C)[NH+](C)C ZINC000895292520 618514975 /nfs/dbraw/zinc/51/49/75/618514975.db2.gz CXNBLTOJWWELGH-ZVHGMHCTSA-N 1 1 291.395 2.928 20 5 CFBDMO CC1=NO[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000895312208 618527801 /nfs/dbraw/zinc/52/78/01/618527801.db2.gz WJPAYVYUSKGXFQ-NSHDSACASA-N 1 1 283.715 2.503 20 5 CFBDMO CC1=NO[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895427676 618576763 /nfs/dbraw/zinc/57/67/63/618576763.db2.gz CXKDRABMXZKYFT-NSHDSACASA-N 1 1 283.715 2.503 20 5 CFBDMO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000893027696 618807710 /nfs/dbraw/zinc/80/77/10/618807710.db2.gz CGFLERLEGZJDNN-UHFFFAOYSA-N 1 1 280.715 2.570 20 5 CFBDMO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000931591613 619052645 /nfs/dbraw/zinc/05/26/45/619052645.db2.gz CWTJUVBWPFKLLH-LBPRGKRZSA-N 1 1 295.408 2.953 20 5 CFBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000931591613 619052646 /nfs/dbraw/zinc/05/26/46/619052646.db2.gz CWTJUVBWPFKLLH-LBPRGKRZSA-N 1 1 295.408 2.953 20 5 CFBDMO COc1cccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2(C)C)c1 ZINC000931688095 619087687 /nfs/dbraw/zinc/08/76/87/619087687.db2.gz CLOQODDXBQFPOF-CQSZACIVSA-N 1 1 278.352 2.540 20 5 CFBDMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186335 619419320 /nfs/dbraw/zinc/41/93/20/619419320.db2.gz BMTQKTSGRNOBIZ-UHFFFAOYSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000895739068 619593519 /nfs/dbraw/zinc/59/35/19/619593519.db2.gz AUGGPRBHLCQMGR-PSASIEDQSA-N 1 1 292.364 2.709 20 5 CFBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC000895734533 619596408 /nfs/dbraw/zinc/59/64/08/619596408.db2.gz OJBOLIZGUHERRL-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737645 619598032 /nfs/dbraw/zinc/59/80/32/619598032.db2.gz QKERWWCGTHVIMU-WPRPVWTQSA-N 1 1 299.758 2.761 20 5 CFBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000895765953 619598403 /nfs/dbraw/zinc/59/84/03/619598403.db2.gz SBWUSZOYYTVSBP-NSHDSACASA-N 1 1 287.319 2.758 20 5 CFBDMO Cc1ccnc(NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000895987192 619649328 /nfs/dbraw/zinc/64/93/28/619649328.db2.gz AKMNCPLDUYFOHP-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584984 619767516 /nfs/dbraw/zinc/76/75/16/619767516.db2.gz RHBZMXVTESKUEU-AGLBCWCQSA-N 1 1 276.336 2.719 20 5 CFBDMO CC(C)[N@@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000054111163 620218947 /nfs/dbraw/zinc/21/89/47/620218947.db2.gz XXGHGSFITNCGAA-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO Cc1c(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000899935249 620615448 /nfs/dbraw/zinc/61/54/48/620615448.db2.gz HRGZOXAYNVOSDB-ZDUSSCGKSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1c(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000899935249 620615450 /nfs/dbraw/zinc/61/54/50/620615450.db2.gz HRGZOXAYNVOSDB-ZDUSSCGKSA-N 1 1 291.351 2.715 20 5 CFBDMO CCn1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000902077705 620968972 /nfs/dbraw/zinc/96/89/72/620968972.db2.gz HHXMSSQHCJBINF-LLVKDONJSA-N 1 1 274.324 2.662 20 5 CFBDMO Cc1cc(OCCCc2c[nH+]cn2C)c(F)cc1[N+](=O)[O-] ZINC000902342771 621032875 /nfs/dbraw/zinc/03/28/75/621032875.db2.gz RGEUHORCJMIOTO-UHFFFAOYSA-N 1 1 293.298 2.787 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000903288251 621318927 /nfs/dbraw/zinc/31/89/27/621318927.db2.gz VDKFBLWCZOOMDH-GHMZBOCLSA-N 1 1 272.308 2.797 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000903288253 621319283 /nfs/dbraw/zinc/31/92/83/621319283.db2.gz VDKFBLWCZOOMDH-MNOVXSKESA-N 1 1 272.308 2.797 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cc1[N+](=O)[O-] ZINC000903819143 621448110 /nfs/dbraw/zinc/44/81/10/621448110.db2.gz CVQOIBHCOCWASW-NVXWUHKLSA-N 1 1 297.358 2.618 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000905231592 621721664 /nfs/dbraw/zinc/72/16/64/621721664.db2.gz RGJAERCIOZUVNU-VIFPVBQESA-N 1 1 291.134 2.683 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C2CC2)CC1 ZINC000820644804 622723768 /nfs/dbraw/zinc/72/37/68/622723768.db2.gz JHVHFVCTEWCWFU-UHFFFAOYSA-N 1 1 299.733 2.672 20 5 CFBDMO CO[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000821342146 622899442 /nfs/dbraw/zinc/89/94/42/622899442.db2.gz KZRIWRRVDCTDEQ-QWHCGFSZSA-N 1 1 264.325 2.594 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000250306626 623134867 /nfs/dbraw/zinc/13/48/67/623134867.db2.gz LGQPHLSLYMAWGT-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000172972853 623327406 /nfs/dbraw/zinc/32/74/06/623327406.db2.gz MWFDZMNNEYYKJT-TXEJJXNPSA-N 1 1 264.300 2.822 20 5 CFBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388407 623345131 /nfs/dbraw/zinc/34/51/31/623345131.db2.gz ZJBQFVPEWHSJDR-AAEUAGOBSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000173901521 623372374 /nfs/dbraw/zinc/37/23/74/623372374.db2.gz BHIISJGMOYXQCV-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO CCc1nc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])co1 ZINC000825050725 623616826 /nfs/dbraw/zinc/61/68/26/623616826.db2.gz QLPOWCONNPKZIN-ALCCZGGFSA-N 1 1 287.319 2.948 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)CO ZINC000827698728 624069291 /nfs/dbraw/zinc/06/92/91/624069291.db2.gz BNCCJTOSGRBCDT-YGRLFVJLSA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1ccc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000828259704 624215592 /nfs/dbraw/zinc/21/55/92/624215592.db2.gz QUHMVAKCGLDYOT-ZDUSSCGKSA-N 1 1 289.379 2.824 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829572637 624457115 /nfs/dbraw/zinc/45/71/15/624457115.db2.gz QZAMBSOALUGFON-SNVBAGLBSA-N 1 1 299.321 2.792 20 5 CFBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000175265721 624942581 /nfs/dbraw/zinc/94/25/81/624942581.db2.gz YKSYFVCBESCUFQ-JSGCOSHPSA-N 1 1 286.335 2.627 20 5 CFBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000832309237 625272488 /nfs/dbraw/zinc/27/24/88/625272488.db2.gz GMAFFZGRKXOBNK-SNVBAGLBSA-N 1 1 292.314 2.801 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000834835373 625894492 /nfs/dbraw/zinc/89/44/92/625894492.db2.gz IBGXIVMHROIHKE-BXUZGUMPSA-N 1 1 286.335 2.895 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669292 626551744 /nfs/dbraw/zinc/55/17/44/626551744.db2.gz NPVKDCWFPNFDMC-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839669292 626551745 /nfs/dbraw/zinc/55/17/45/626551745.db2.gz NPVKDCWFPNFDMC-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919958 626701818 /nfs/dbraw/zinc/70/18/18/626701818.db2.gz AMHNYWISOYXDPC-SWLSCSKDSA-N 1 1 292.379 2.996 20 5 CFBDMO CC[N@@H+](CCC1CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000760880459 626780313 /nfs/dbraw/zinc/78/03/13/626780313.db2.gz KCAAGSIFGBIXEW-OAHLLOKOSA-N 1 1 278.352 2.750 20 5 CFBDMO CCC[N@@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291682 626821681 /nfs/dbraw/zinc/82/16/81/626821681.db2.gz VSYODPWRQPCUPE-UHFFFAOYSA-N 1 1 276.340 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000761521021 626842395 /nfs/dbraw/zinc/84/23/95/626842395.db2.gz SNPFRXQIJHFKLM-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000761521021 626842397 /nfs/dbraw/zinc/84/23/97/626842397.db2.gz SNPFRXQIJHFKLM-NSHDSACASA-N 1 1 295.770 2.575 20 5 CFBDMO C[C@@H]1C[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000851869910 634565851 /nfs/dbraw/zinc/56/58/51/634565851.db2.gz VDVGTWMBSCOKNJ-DGCLKSJQSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770273 627370476 /nfs/dbraw/zinc/37/04/76/627370476.db2.gz HLBSRYVHICTYHN-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000774534783 627935809 /nfs/dbraw/zinc/93/58/09/627935809.db2.gz SWMQSTQJOYLLON-IUODEOHRSA-N 1 1 277.368 2.904 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273906 628124958 /nfs/dbraw/zinc/12/49/58/628124958.db2.gz BJGFAQLKQSXAPG-BXUZGUMPSA-N 1 1 266.341 2.749 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274983 628125182 /nfs/dbraw/zinc/12/51/82/628125182.db2.gz FDUMUNAUFGRJQW-BXUZGUMPSA-N 1 1 266.341 2.605 20 5 CFBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279071 628125891 /nfs/dbraw/zinc/12/58/91/628125891.db2.gz WYPKRWJMAZDBPX-IUODEOHRSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000776580067 628160524 /nfs/dbraw/zinc/16/05/24/628160524.db2.gz QVVWXPIQSXCAKG-IUODEOHRSA-N 1 1 280.368 2.995 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860969 628415424 /nfs/dbraw/zinc/41/54/24/628415424.db2.gz LKMVCCWAFZAZGY-DGCLKSJQSA-N 1 1 280.372 2.958 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588619 628562593 /nfs/dbraw/zinc/56/25/93/628562593.db2.gz XIUYLZIFMLJSAQ-IAQYHMDHSA-N 1 1 292.383 2.878 20 5 CFBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000782915931 628663409 /nfs/dbraw/zinc/66/34/09/628663409.db2.gz RIKHMMKUDFWGKF-VIFPVBQESA-N 1 1 279.271 2.605 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1Cl ZINC000783679010 628734150 /nfs/dbraw/zinc/73/41/50/628734150.db2.gz FQTRTNBDKWHQNV-NSHDSACASA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352430 628808977 /nfs/dbraw/zinc/80/89/77/628808977.db2.gz NXIGTWVWAVMROG-DOMZBBRYSA-N 1 1 292.379 2.996 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000852214087 634692990 /nfs/dbraw/zinc/69/29/90/634692990.db2.gz SIISYWIDNRVIBF-NSHDSACASA-N 1 1 287.266 2.512 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000852214087 634692993 /nfs/dbraw/zinc/69/29/93/634692993.db2.gz SIISYWIDNRVIBF-NSHDSACASA-N 1 1 287.266 2.512 20 5 CFBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788465477 629071377 /nfs/dbraw/zinc/07/13/77/629071377.db2.gz VVSHOHGXPBOLJH-UWVGGRQHSA-N 1 1 298.770 2.982 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589645 629083994 /nfs/dbraw/zinc/08/39/94/629083994.db2.gz SHGNCNSIUGSLAL-RYUDHWBXSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566845 629167463 /nfs/dbraw/zinc/16/74/63/629167463.db2.gz OLCIJHCOXQVGOT-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835068199 629369963 /nfs/dbraw/zinc/36/99/63/629369963.db2.gz CSCDMJSAZSBMBZ-UHFFFAOYSA-N 1 1 285.775 2.678 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000796324128 629904238 /nfs/dbraw/zinc/90/42/38/629904238.db2.gz PZZFJNUMEKIAJY-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000796540681 629932250 /nfs/dbraw/zinc/93/22/50/629932250.db2.gz VROAKWLFKCWPLV-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000796578689 629937706 /nfs/dbraw/zinc/93/77/06/629937706.db2.gz XEMAXNJFWQMBFO-MRXNPFEDSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000796578688 629937906 /nfs/dbraw/zinc/93/79/06/629937906.db2.gz XEMAXNJFWQMBFO-INIZCTEOSA-N 1 1 290.363 2.893 20 5 CFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852700369 634810382 /nfs/dbraw/zinc/81/03/82/634810382.db2.gz NILRVYFMFOEAHE-LVMUYBQDSA-N 1 1 290.363 2.891 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801520634 630452526 /nfs/dbraw/zinc/45/25/26/630452526.db2.gz IMEKZGLISIIGAX-CYBMUJFWSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801520634 630452527 /nfs/dbraw/zinc/45/25/27/630452527.db2.gz IMEKZGLISIIGAX-CYBMUJFWSA-N 1 1 296.342 2.981 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000802657883 630536785 /nfs/dbraw/zinc/53/67/85/630536785.db2.gz BQRPABLOMBSPLR-UHFFFAOYSA-N 1 1 260.293 2.862 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804423507 630680938 /nfs/dbraw/zinc/68/09/38/630680938.db2.gz RAXNVABZYVNULR-JTQLQIEISA-N 1 1 296.327 2.645 20 5 CFBDMO NC(=[NH+]OCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000808249356 630971405 /nfs/dbraw/zinc/97/14/05/630971405.db2.gz CDYJHOGNEXLTAS-UHFFFAOYSA-N 1 1 277.324 2.826 20 5 CFBDMO Cc1nn(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840150090 631057992 /nfs/dbraw/zinc/05/79/92/631057992.db2.gz OVZRPXGDMJZEFJ-GFCCVEGCSA-N 1 1 280.372 2.815 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](CC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840150090 631057994 /nfs/dbraw/zinc/05/79/94/631057994.db2.gz OVZRPXGDMJZEFJ-GFCCVEGCSA-N 1 1 280.372 2.815 20 5 CFBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841057101 631323908 /nfs/dbraw/zinc/32/39/08/631323908.db2.gz HYMMIUABERACRS-QWRGUYRKSA-N 1 1 283.759 2.608 20 5 CFBDMO CC[N@@H+](CCNc1ccsc1[N+](=O)[O-])C(C)C ZINC000811797200 631623614 /nfs/dbraw/zinc/62/36/14/631623614.db2.gz ARFUYOMSTUNSAR-UHFFFAOYSA-N 1 1 257.359 2.799 20 5 CFBDMO CN(CC[C@@H]1CC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471751 631639188 /nfs/dbraw/zinc/63/91/88/631639188.db2.gz XDWHILKCTKPDFL-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635441 631688852 /nfs/dbraw/zinc/68/88/52/631688852.db2.gz NKVMCZNCSOBLIL-QWHCGFSZSA-N 1 1 292.383 2.897 20 5 CFBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779849 631772090 /nfs/dbraw/zinc/77/20/90/631772090.db2.gz ZXOMUWDQRSJXBJ-LBPRGKRZSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412868 632624450 /nfs/dbraw/zinc/62/44/50/632624450.db2.gz PWRVJLLBINFVEL-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO Cn1c[nH+]cc1CCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000853702403 635079408 /nfs/dbraw/zinc/07/94/08/635079408.db2.gz HKBPFSDJLBMVAV-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO Cn1c[nH+]cc1CCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000853700686 635079669 /nfs/dbraw/zinc/07/96/69/635079669.db2.gz SDCRVXODKULWCO-UHFFFAOYSA-N 1 1 299.689 2.742 20 5 CFBDMO CC[C@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000854142767 635230440 /nfs/dbraw/zinc/23/04/40/635230440.db2.gz YZPBAAGIVSPABV-NSHDSACASA-N 1 1 290.323 2.548 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000860073408 636779294 /nfs/dbraw/zinc/77/92/94/636779294.db2.gz LEVZXAVNWUEIBH-OAHLLOKOSA-N 1 1 290.363 2.894 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000860073406 636779523 /nfs/dbraw/zinc/77/95/23/636779523.db2.gz LEVZXAVNWUEIBH-HNNXBMFYSA-N 1 1 290.363 2.894 20 5 CFBDMO NC(CCC(F)(F)F)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000863488827 637675413 /nfs/dbraw/zinc/67/54/13/637675413.db2.gz GKAIORRHYJLDKI-UHFFFAOYSA-N 1 1 291.229 2.936 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000119524219 637701523 /nfs/dbraw/zinc/70/15/23/637701523.db2.gz CPQRNNXENZCRFZ-NSHDSACASA-N 1 1 274.324 2.634 20 5 CFBDMO Cc1c(C[NH2+]Cc2cn(C3CC3)cn2)cccc1[N+](=O)[O-] ZINC000865542858 638410263 /nfs/dbraw/zinc/41/02/63/638410263.db2.gz RTYXTCXZSHEOBN-UHFFFAOYSA-N 1 1 286.335 2.724 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000865927925 638662027 /nfs/dbraw/zinc/66/20/27/638662027.db2.gz KYXAEKNABOEPJB-ZDUSSCGKSA-N 1 1 281.331 2.749 20 5 CFBDMO Cc1cc(N[C@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000865927925 638662029 /nfs/dbraw/zinc/66/20/29/638662029.db2.gz KYXAEKNABOEPJB-ZDUSSCGKSA-N 1 1 281.331 2.749 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000866194365 638767195 /nfs/dbraw/zinc/76/71/95/638767195.db2.gz IJEOQGOYTUDOJW-MRXNPFEDSA-N 1 1 298.346 2.776 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000866194365 638767196 /nfs/dbraw/zinc/76/71/96/638767196.db2.gz IJEOQGOYTUDOJW-MRXNPFEDSA-N 1 1 298.346 2.776 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582127 638848572 /nfs/dbraw/zinc/84/85/72/638848572.db2.gz DLKMRKMGMGNEOP-XPKDYRNWSA-N 1 1 289.379 2.682 20 5 CFBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758717 638890764 /nfs/dbraw/zinc/89/07/64/638890764.db2.gz ZMMMPQZTFNXGFT-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758717 638890768 /nfs/dbraw/zinc/89/07/68/638890768.db2.gz ZMMMPQZTFNXGFT-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037506 641571343 /nfs/dbraw/zinc/57/13/43/641571343.db2.gz CNUPUHZDFXTCBE-GRYCIOLGSA-N 1 1 295.358 2.867 20 5 CFBDMO C[C@@H]([NH2+]CC1=CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071460 641602187 /nfs/dbraw/zinc/60/21/87/641602187.db2.gz PLTDXPHSAMOZMR-SNVBAGLBSA-N 1 1 280.299 2.731 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089510 641623233 /nfs/dbraw/zinc/62/32/33/641623233.db2.gz YYFPKGHBNYVCCY-RYUDHWBXSA-N 1 1 295.358 2.869 20 5 CFBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089511 641623571 /nfs/dbraw/zinc/62/35/71/641623571.db2.gz YYFPKGHBNYVCCY-VXGBXAGGSA-N 1 1 295.358 2.869 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@]23CCC[C@H]2OCC3)c(F)c1 ZINC000872316873 641753500 /nfs/dbraw/zinc/75/35/00/641753500.db2.gz ZAGBNJZPGKPBHT-KGLIPLIRSA-N 1 1 298.289 2.674 20 5 CFBDMO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ncn1 ZINC000873097532 642013021 /nfs/dbraw/zinc/01/30/21/642013021.db2.gz BKQPDSYSRUAFNE-UHFFFAOYSA-N 1 1 286.335 2.600 20 5 CFBDMO Cc1c(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133769 642024325 /nfs/dbraw/zinc/02/43/25/642024325.db2.gz GSGLKADDNQVWQG-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1c(CNC[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133769 642024332 /nfs/dbraw/zinc/02/43/32/642024332.db2.gz GSGLKADDNQVWQG-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000876693202 642976960 /nfs/dbraw/zinc/97/69/60/642976960.db2.gz BDCUWQPJQQRNOF-AWEZNQCLSA-N 1 1 292.379 2.806 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726013 642984971 /nfs/dbraw/zinc/98/49/71/642984971.db2.gz SVKJQSZQNBTXQQ-CYBMUJFWSA-N 1 1 278.352 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000876743043 642990774 /nfs/dbraw/zinc/99/07/74/642990774.db2.gz ZYTZZRZWFDHKHB-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000876743043 642990778 /nfs/dbraw/zinc/99/07/78/642990778.db2.gz ZYTZZRZWFDHKHB-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000876751957 642994160 /nfs/dbraw/zinc/99/41/60/642994160.db2.gz CBEWAOGDVIPFMG-NSHDSACASA-N 1 1 278.352 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000876790201 643011099 /nfs/dbraw/zinc/01/10/99/643011099.db2.gz WGDGFVSKWICAGG-MRXNPFEDSA-N 1 1 290.363 2.824 20 5 CFBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000877022730 643108296 /nfs/dbraw/zinc/10/82/96/643108296.db2.gz QWPSHZFALFOHCY-LBPRGKRZSA-N 1 1 292.335 2.626 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000877169903 643186722 /nfs/dbraw/zinc/18/67/22/643186722.db2.gz HGTHNWIZGCSHQK-KGLIPLIRSA-N 1 1 292.379 2.804 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247052125 650896211 /nfs/dbraw/zinc/89/62/11/650896211.db2.gz UALZFVDYFRZRJA-MNOVXSKESA-N 1 1 274.324 2.632 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319666 644224057 /nfs/dbraw/zinc/22/40/57/644224057.db2.gz DEAQJNRLSYFWQF-DOMZBBRYSA-N 1 1 278.352 2.637 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320674 644225660 /nfs/dbraw/zinc/22/56/60/644225660.db2.gz KSUHUPCFWKTVLP-MWLCHTKSSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320674 644225665 /nfs/dbraw/zinc/22/56/65/644225665.db2.gz KSUHUPCFWKTVLP-MWLCHTKSSA-N 1 1 270.354 2.656 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879328184 644234487 /nfs/dbraw/zinc/23/44/87/644234487.db2.gz YJAOIGCJRPZFHN-SMDDNHRTSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879555644 644317017 /nfs/dbraw/zinc/31/70/17/644317017.db2.gz AILIJIOMTKVYMT-ZYHUDNBSSA-N 1 1 296.367 2.919 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616670 644349399 /nfs/dbraw/zinc/34/93/99/644349399.db2.gz IDQNGAGWRAWAKN-SMDDNHRTSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880294249 644632806 /nfs/dbraw/zinc/63/28/06/644632806.db2.gz AKRXDSYCXJHHBK-NSHDSACASA-N 1 1 252.289 2.695 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880439926 644707221 /nfs/dbraw/zinc/70/72/21/644707221.db2.gz NKEDIQYEYKHAJU-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880441744 644709060 /nfs/dbraw/zinc/70/90/60/644709060.db2.gz FVQMDXZIELCRNN-MWLCHTKSSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880441744 644709063 /nfs/dbraw/zinc/70/90/63/644709063.db2.gz FVQMDXZIELCRNN-MWLCHTKSSA-N 1 1 284.743 2.593 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882382851 645295594 /nfs/dbraw/zinc/29/55/94/645295594.db2.gz XPSZZIZGVYJKSA-JTQLQIEISA-N 1 1 284.335 2.661 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252924580 651029623 /nfs/dbraw/zinc/02/96/23/651029623.db2.gz LKBDMRKUYFLYDL-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000883399109 645795567 /nfs/dbraw/zinc/79/55/67/645795567.db2.gz DTWPBLOEBGJUQS-JTQLQIEISA-N 1 1 299.321 2.807 20 5 CFBDMO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885956446 646782531 /nfs/dbraw/zinc/78/25/31/646782531.db2.gz PSKSCKJSCFVCQW-UHFFFAOYSA-N 1 1 251.330 2.856 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000886002446 646806825 /nfs/dbraw/zinc/80/68/25/646806825.db2.gz ZZWPJMFENWEPRF-UHFFFAOYSA-N 1 1 261.325 2.897 20 5 CFBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018936 646820856 /nfs/dbraw/zinc/82/08/56/646820856.db2.gz JXRXUSVZPXPMBW-CHWSQXEVSA-N 1 1 293.367 2.625 20 5 CFBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886018936 646820861 /nfs/dbraw/zinc/82/08/61/646820861.db2.gz JXRXUSVZPXPMBW-CHWSQXEVSA-N 1 1 293.367 2.625 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000886021482 646824132 /nfs/dbraw/zinc/82/41/32/646824132.db2.gz XHWIYVDRCNDXQC-YPMHNXCESA-N 1 1 261.325 2.754 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000886038477 646833706 /nfs/dbraw/zinc/83/37/06/646833706.db2.gz WJMBURXKDLNGJA-CHWSQXEVSA-N 1 1 293.392 2.850 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000886038479 646835022 /nfs/dbraw/zinc/83/50/22/646835022.db2.gz WJMBURXKDLNGJA-QWHCGFSZSA-N 1 1 293.392 2.850 20 5 CFBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000886125686 646884595 /nfs/dbraw/zinc/88/45/95/646884595.db2.gz YLOPMMMNSQQGAQ-LBPRGKRZSA-N 1 1 261.325 2.778 20 5 CFBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000886125685 646884859 /nfs/dbraw/zinc/88/48/59/646884859.db2.gz YLOPMMMNSQQGAQ-GFCCVEGCSA-N 1 1 261.325 2.778 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818619 647151791 /nfs/dbraw/zinc/15/17/91/647151791.db2.gz HLKFLFXGNRDCAA-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886836085 647157572 /nfs/dbraw/zinc/15/75/72/647157572.db2.gz VLQRBARUWNWFSB-DZGCQCFKSA-N 1 1 276.336 2.596 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC2CC2)C2CC2)c1 ZINC000929852216 649139590 /nfs/dbraw/zinc/13/95/90/649139590.db2.gz HSWWYYYLDRVTQC-UHFFFAOYSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000929890312 649145221 /nfs/dbraw/zinc/14/52/21/649145221.db2.gz UYCDDHNXYWFPSM-HNNXBMFYSA-N 1 1 260.337 2.805 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000930021139 649167398 /nfs/dbraw/zinc/16/73/98/649167398.db2.gz CXCODBAEYVVWRD-UHFFFAOYSA-N 1 1 266.728 2.706 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000930021139 649167402 /nfs/dbraw/zinc/16/74/02/649167402.db2.gz CXCODBAEYVVWRD-UHFFFAOYSA-N 1 1 266.728 2.706 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000930449839 649250033 /nfs/dbraw/zinc/25/00/33/649250033.db2.gz GLQSWSIIENYTPQ-KFWWJZLASA-N 1 1 260.337 2.531 20 5 CFBDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000930449007 649250304 /nfs/dbraw/zinc/25/03/04/649250304.db2.gz KRRIBPUVKOOHAY-OCCSQVGLSA-N 1 1 278.352 2.745 20 5 CFBDMO O=[N+]([O-])CC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000930842148 649334047 /nfs/dbraw/zinc/33/40/47/649334047.db2.gz AOYFHGRTYAUMNU-UHFFFAOYSA-N 1 1 254.717 2.586 20 5 CFBDMO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000932176755 649559112 /nfs/dbraw/zinc/55/91/12/649559112.db2.gz BNYQNBFLNHZWJG-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932646179 649633960 /nfs/dbraw/zinc/63/39/60/649633960.db2.gz XFJNWSFRQFPUGY-VXGBXAGGSA-N 1 1 292.335 2.541 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000932969277 649665287 /nfs/dbraw/zinc/66/52/87/649665287.db2.gz AIAZHTVPCIKEIY-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000932969277 649665290 /nfs/dbraw/zinc/66/52/90/649665290.db2.gz AIAZHTVPCIKEIY-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001167270379 770194438 /nfs/dbraw/zinc/19/44/38/770194438.db2.gz RVBSRQNJRZFMPD-ZDUSSCGKSA-N 1 1 298.346 2.773 20 5 CFBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1CC[N@@H+](C)C1 ZINC001167278456 770197753 /nfs/dbraw/zinc/19/77/53/770197753.db2.gz LWJDQVYJTQWROK-VIFPVBQESA-N 1 1 299.758 2.681 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381082 775435711 /nfs/dbraw/zinc/43/57/11/775435711.db2.gz CNKGFQMQILYHFS-LLVKDONJSA-N 1 1 268.288 2.595 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001225616689 775524580 /nfs/dbraw/zinc/52/45/80/775524580.db2.gz WEHXQUOOVGUJBP-CYBMUJFWSA-N 1 1 294.351 2.855 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(F)c1[N+](=O)[O-])C2 ZINC001225664158 775546857 /nfs/dbraw/zinc/54/68/57/775546857.db2.gz KZXREBMQNLFUTL-JGPRNRPPSA-N 1 1 280.299 2.738 20 5 CFBDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001225663585 775546962 /nfs/dbraw/zinc/54/69/62/775546962.db2.gz RIMRAZIVYIZMKC-GFCCVEGCSA-N 1 1 279.340 2.550 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225906757 775630971 /nfs/dbraw/zinc/63/09/71/775630971.db2.gz DWGXWZVHRPKBIN-HBYGRHMLSA-N 1 1 294.326 2.843 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)c(F)ccc1[N+](=O)[O-])C2 ZINC001225959405 775648901 /nfs/dbraw/zinc/64/89/01/775648901.db2.gz LFAMSBMBRXMADE-ILWJIGKKSA-N 1 1 298.289 2.877 20 5 CFBDMO CC[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226748601 775945717 /nfs/dbraw/zinc/94/57/17/775945717.db2.gz LXRMHQQMUXZLII-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226748601 775945725 /nfs/dbraw/zinc/94/57/25/775945725.db2.gz LXRMHQQMUXZLII-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC001226762964 775952424 /nfs/dbraw/zinc/95/24/24/775952424.db2.gz ZJWHHMBPNHWQEK-SNVBAGLBSA-N 1 1 293.710 2.839 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001226953290 776032793 /nfs/dbraw/zinc/03/27/93/776032793.db2.gz YLKVMEOTQWYYHJ-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001226997488 776054443 /nfs/dbraw/zinc/05/44/43/776054443.db2.gz XAWOTVRFPRDHCN-ZDUSSCGKSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222962 776143886 /nfs/dbraw/zinc/14/38/86/776143886.db2.gz YHFLAWVTHYKHQJ-LBPRGKRZSA-N 1 1 279.340 2.550 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228003368 776358312 /nfs/dbraw/zinc/35/83/12/776358312.db2.gz WNLMGWKLVFLUGT-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001228015100 776363890 /nfs/dbraw/zinc/36/38/90/776363890.db2.gz SZNRGKBXLJZMRH-ILWJIGKKSA-N 1 1 297.742 2.647 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228058538 776380339 /nfs/dbraw/zinc/38/03/39/776380339.db2.gz VQGPNGVGSRSDOP-JTQLQIEISA-N 1 1 299.758 2.895 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccnc(Cl)c1[N+](=O)[O-])C2 ZINC001228055685 776380434 /nfs/dbraw/zinc/38/04/34/776380434.db2.gz WBWFLVXWVBIJNM-MYJAWHEDSA-N 1 1 297.742 2.647 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001228258445 776435716 /nfs/dbraw/zinc/43/57/16/776435716.db2.gz YIPMFNBJHRSATH-LLVKDONJSA-N 1 1 293.710 2.839 20 5 CFBDMO CC[N@@H+]1CC[C@H](Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])C1 ZINC001228451875 776495205 /nfs/dbraw/zinc/49/52/05/776495205.db2.gz DMBSHTZAZSBOJR-LBPRGKRZSA-N 1 1 292.335 2.579 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])C1 ZINC001228451875 776495212 /nfs/dbraw/zinc/49/52/12/776495212.db2.gz DMBSHTZAZSBOJR-LBPRGKRZSA-N 1 1 292.335 2.579 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)cc(F)c1[N+](=O)[O-])C2 ZINC001228610221 776538250 /nfs/dbraw/zinc/53/82/50/776538250.db2.gz RJYGWIBTNXIJHA-JGPRNRPPSA-N 1 1 298.289 2.877 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937968 776663510 /nfs/dbraw/zinc/66/35/10/776663510.db2.gz LKMSXNIEORILPP-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1cc(O[C@@H]2CCc3[nH+]ccn3C2)cc(C)c1[N+](=O)[O-] ZINC001229470907 776821671 /nfs/dbraw/zinc/82/16/71/776821671.db2.gz VMOMQWMVFHIZJC-GFCCVEGCSA-N 1 1 287.319 2.802 20 5 CFBDMO Cc1ccc(O[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230143921 776955486 /nfs/dbraw/zinc/95/54/86/776955486.db2.gz QUUMXPOPOHSEEU-LBPRGKRZSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001230143247 776955743 /nfs/dbraw/zinc/95/57/43/776955743.db2.gz HRZUERWDLBHECZ-CLLJXQQHSA-N 1 1 276.336 2.907 20 5 CFBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001230722826 777050991 /nfs/dbraw/zinc/05/09/91/777050991.db2.gz AVVIMLDGECWTHG-LBPRGKRZSA-N 1 1 287.319 2.802 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159051 777160707 /nfs/dbraw/zinc/16/07/07/777160707.db2.gz SMLVGKLXSLYLEW-LBPRGKRZSA-N 1 1 287.319 2.616 20 5 CFBDMO CC[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785386 777277381 /nfs/dbraw/zinc/27/73/81/777277381.db2.gz AXJPEKQYLAQYJH-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)cc1F ZINC001225912789 777334253 /nfs/dbraw/zinc/33/42/53/777334253.db2.gz OGRSXJGZUGFRCZ-UHFFFAOYSA-N 1 1 286.278 2.547 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698279 778045466 /nfs/dbraw/zinc/04/54/66/778045466.db2.gz HUSYVRHLLWJUDF-SNVBAGLBSA-N 1 1 286.278 2.736 20 5 CFBDMO Cc1cc(F)c(O[C@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001234054238 778153653 /nfs/dbraw/zinc/15/36/53/778153653.db2.gz BQBVAEYSQVDVQT-NSHDSACASA-N 1 1 282.315 2.905 20 5 CFBDMO C[C@H]1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000697231052 778167771 /nfs/dbraw/zinc/16/77/71/778167771.db2.gz AFLBXDHXNOEZJL-UWVGGRQHSA-N 1 1 298.770 2.697 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1Cl ZINC000700636529 780711010 /nfs/dbraw/zinc/71/10/10/780711010.db2.gz WRCBAMHLMFVOPG-NEPJUHHUSA-N 1 1 296.754 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2C2CC2)cc1F ZINC000704176169 781089488 /nfs/dbraw/zinc/08/94/88/781089488.db2.gz ZONLLDFWLGPYDT-UHFFFAOYSA-N 1 1 261.256 2.856 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000710639519 781346227 /nfs/dbraw/zinc/34/62/27/781346227.db2.gz GUKYGCQUYUYOTR-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000710639519 781346231 /nfs/dbraw/zinc/34/62/31/781346231.db2.gz GUKYGCQUYUYOTR-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1c(C[N@@H+](C)CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000124377532 187134687 /nfs/dbraw/zinc/13/46/87/187134687.db2.gz OETDSKOEUJJAFZ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000594519793 349440138 /nfs/dbraw/zinc/44/01/38/349440138.db2.gz LLUNGPIOVYNTER-STQMWFEESA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000594519793 349440139 /nfs/dbraw/zinc/44/01/39/349440139.db2.gz LLUNGPIOVYNTER-STQMWFEESA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000594519792 349440330 /nfs/dbraw/zinc/44/03/30/349440330.db2.gz LLUNGPIOVYNTER-QWHCGFSZSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000594519792 349440334 /nfs/dbraw/zinc/44/03/34/349440334.db2.gz LLUNGPIOVYNTER-QWHCGFSZSA-N 1 1 295.408 2.763 20 5 CFBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000594893491 349496237 /nfs/dbraw/zinc/49/62/37/349496237.db2.gz CJIZKONOKYJKFM-SECBINFHSA-N 1 1 279.271 2.605 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594956592 349528603 /nfs/dbraw/zinc/52/86/03/349528603.db2.gz LROJOZWCGUJPCZ-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594956592 349528608 /nfs/dbraw/zinc/52/86/08/349528608.db2.gz LROJOZWCGUJPCZ-CYBMUJFWSA-N 1 1 277.368 2.557 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+](C)C(C)C ZINC000595042871 349561698 /nfs/dbraw/zinc/56/16/98/349561698.db2.gz SXKNHGXWJMCVGP-LBPRGKRZSA-N 1 1 295.383 2.594 20 5 CFBDMO CCC(CC)[N@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312511 349600177 /nfs/dbraw/zinc/60/01/77/349600177.db2.gz YVPREAAKARLDGT-UHFFFAOYSA-N 1 1 285.344 2.528 20 5 CFBDMO CCC(CC)[N@@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312511 349600181 /nfs/dbraw/zinc/60/01/81/349600181.db2.gz YVPREAAKARLDGT-UHFFFAOYSA-N 1 1 285.344 2.528 20 5 CFBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326422 349602069 /nfs/dbraw/zinc/60/20/69/349602069.db2.gz CERJDULBPPLUSN-VXGBXAGGSA-N 1 1 297.355 2.527 20 5 CFBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595326422 349602075 /nfs/dbraw/zinc/60/20/75/349602075.db2.gz CERJDULBPPLUSN-VXGBXAGGSA-N 1 1 297.355 2.527 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595323353 349602562 /nfs/dbraw/zinc/60/25/62/349602562.db2.gz YJPWOOINCUBPDZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595323353 349602564 /nfs/dbraw/zinc/60/25/64/349602564.db2.gz YJPWOOINCUBPDZ-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595325416 349602593 /nfs/dbraw/zinc/60/25/93/349602593.db2.gz HUAJXNVPVVEVLL-QWRGUYRKSA-N 1 1 265.313 2.656 20 5 CFBDMO Cc1noc(C[N@H+](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595289678 349590662 /nfs/dbraw/zinc/59/06/62/349590662.db2.gz HACCWWXQBPLULF-UHFFFAOYSA-N 1 1 255.318 2.758 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595291939 349592472 /nfs/dbraw/zinc/59/24/72/349592472.db2.gz YHQXQIKJHRHVLT-MWLCHTKSSA-N 1 1 267.329 2.902 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000595293803 349594157 /nfs/dbraw/zinc/59/41/57/349594157.db2.gz AWDMIXDGAKWDMK-NSHDSACASA-N 1 1 294.326 2.735 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595306109 349598087 /nfs/dbraw/zinc/59/80/87/349598087.db2.gz KTDQLXHHDOXSFY-UHFFFAOYSA-N 1 1 295.358 2.650 20 5 CFBDMO CCC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595339900 349605635 /nfs/dbraw/zinc/60/56/35/349605635.db2.gz RBDCHPTZUFIEAI-LLVKDONJSA-N 1 1 267.329 2.903 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000595389830 349614237 /nfs/dbraw/zinc/61/42/37/349614237.db2.gz QANWZGSLFHMPNR-UHFFFAOYSA-N 1 1 296.342 2.861 20 5 CFBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000595424410 349621677 /nfs/dbraw/zinc/62/16/77/349621677.db2.gz IEJMXIWQBPQFBJ-LLVKDONJSA-N 1 1 265.313 2.679 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cn[nH]c1 ZINC000273106571 192044251 /nfs/dbraw/zinc/04/42/51/192044251.db2.gz WRSNIXLRNSDOTG-MRVPVSSYSA-N 1 1 280.715 2.822 20 5 CFBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000595419259 349619657 /nfs/dbraw/zinc/61/96/57/349619657.db2.gz JKQJVUHGUSNEMY-JTQLQIEISA-N 1 1 291.307 2.751 20 5 CFBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125498403 187187866 /nfs/dbraw/zinc/18/78/66/187187866.db2.gz UNYSXWWYYRNWQI-LBPRGKRZSA-N 1 1 291.351 2.574 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470026 349636731 /nfs/dbraw/zinc/63/67/31/349636731.db2.gz ZHUUKKUJYNFEQO-BXUZGUMPSA-N 1 1 296.342 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000595473737 349637668 /nfs/dbraw/zinc/63/76/68/349637668.db2.gz BGOZTBLLEFQUQC-HIFRSBDPSA-N 1 1 294.326 2.877 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000595485237 349639940 /nfs/dbraw/zinc/63/99/40/349639940.db2.gz SPVLFKNHSZMIOI-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000595485237 349639942 /nfs/dbraw/zinc/63/99/42/349639942.db2.gz SPVLFKNHSZMIOI-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000595522509 349650080 /nfs/dbraw/zinc/65/00/80/349650080.db2.gz KUTNKOQKGZDCIK-ZDUSSCGKSA-N 1 1 297.380 2.610 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000595522509 349650083 /nfs/dbraw/zinc/65/00/83/349650083.db2.gz KUTNKOQKGZDCIK-ZDUSSCGKSA-N 1 1 297.380 2.610 20 5 CFBDMO Cc1noc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595504673 349644921 /nfs/dbraw/zinc/64/49/21/349644921.db2.gz GHTFDKPETIOBDZ-WDEREUQCSA-N 1 1 279.340 2.902 20 5 CFBDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595680006 349698228 /nfs/dbraw/zinc/69/82/28/349698228.db2.gz GCABWUQLDIRWQZ-CYBMUJFWSA-N 1 1 290.363 2.781 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595703508 349710541 /nfs/dbraw/zinc/71/05/41/349710541.db2.gz SXSHECXXOZKTHR-IAQYHMDHSA-N 1 1 296.342 2.717 20 5 CFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595807576 349736906 /nfs/dbraw/zinc/73/69/06/349736906.db2.gz KPWFFNMUTQWHGG-STQMWFEESA-N 1 1 276.336 2.706 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1=CCSC1 ZINC000595895172 349764202 /nfs/dbraw/zinc/76/42/02/349764202.db2.gz DUVPXMOMTXDLBF-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1=CCSC1 ZINC000595895172 349764206 /nfs/dbraw/zinc/76/42/06/349764206.db2.gz DUVPXMOMTXDLBF-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596092467 349792910 /nfs/dbraw/zinc/79/29/10/349792910.db2.gz WCWHSSVIGFNPDP-VIFPVBQESA-N 1 1 267.354 2.613 20 5 CFBDMO CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000126322874 187232321 /nfs/dbraw/zinc/23/23/21/187232321.db2.gz DDNNQKYLMLJQOH-UHFFFAOYSA-N 1 1 260.240 2.648 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173293949 529690704 /nfs/dbraw/zinc/69/07/04/529690704.db2.gz AYMUOJMWUSPGHA-NSHDSACASA-N 1 1 282.340 2.713 20 5 CFBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])s1 ZINC000596199691 349825804 /nfs/dbraw/zinc/82/58/04/349825804.db2.gz FPHMAIYNNPYOPO-SECBINFHSA-N 1 1 278.337 2.588 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295066095 199327399 /nfs/dbraw/zinc/32/73/99/199327399.db2.gz QOOGBFVLTASEOO-GOOCMWNKSA-N 1 1 289.379 2.618 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290543233 197744190 /nfs/dbraw/zinc/74/41/90/197744190.db2.gz AQWLURZJKGGGGT-LLVKDONJSA-N 1 1 280.372 2.709 20 5 CFBDMO CC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000596268916 349847603 /nfs/dbraw/zinc/84/76/03/349847603.db2.gz NNZIYTJGQKQCDE-GFCCVEGCSA-N 1 1 295.358 2.963 20 5 CFBDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596307347 349858441 /nfs/dbraw/zinc/85/84/41/349858441.db2.gz KXEVFMHYCFRDFQ-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596308769 349858810 /nfs/dbraw/zinc/85/88/10/349858810.db2.gz UGVKJJWUSMDURT-SNVBAGLBSA-N 1 1 298.774 2.928 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000596335736 349868322 /nfs/dbraw/zinc/86/83/22/349868322.db2.gz HUFUBHDIZBEKAI-VIFPVBQESA-N 1 1 269.370 2.941 20 5 CFBDMO C[N@@H+](CCCCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000413348162 529884360 /nfs/dbraw/zinc/88/43/60/529884360.db2.gz NNMRJSWXFVBVGR-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295084507 199336269 /nfs/dbraw/zinc/33/62/69/199336269.db2.gz SMKIRCSLFDZCKX-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295084507 199336270 /nfs/dbraw/zinc/33/62/70/199336270.db2.gz SMKIRCSLFDZCKX-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000072722579 530020919 /nfs/dbraw/zinc/02/09/19/530020919.db2.gz SFVJESUKZCTTDW-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000072722579 530020921 /nfs/dbraw/zinc/02/09/21/530020921.db2.gz SFVJESUKZCTTDW-UHFFFAOYSA-N 1 1 288.307 2.629 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273242527 192084976 /nfs/dbraw/zinc/08/49/76/192084976.db2.gz ALTMIPZJBGCDDC-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273242529 192085285 /nfs/dbraw/zinc/08/52/85/192085285.db2.gz ALTMIPZJBGCDDC-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000596558116 349941451 /nfs/dbraw/zinc/94/14/51/349941451.db2.gz NQXXYASJJJJMHB-OAHLLOKOSA-N 1 1 298.346 2.676 20 5 CFBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027272382 346268414 /nfs/dbraw/zinc/26/84/14/346268414.db2.gz GYOPVFCNUVDLAX-UHFFFAOYSA-N 1 1 279.340 2.655 20 5 CFBDMO CCCC[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000027272476 346268746 /nfs/dbraw/zinc/26/87/46/346268746.db2.gz ABNZSHKOCCIHNB-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000046600276 346430006 /nfs/dbraw/zinc/43/00/06/346430006.db2.gz XSZCXRHLMJMBHR-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000048329727 346471893 /nfs/dbraw/zinc/47/18/93/346471893.db2.gz GKDQPNBGTSGHSM-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000048999600 346478496 /nfs/dbraw/zinc/47/84/96/346478496.db2.gz LGJHUYSWVOHJRH-GHMZBOCLSA-N 1 1 299.396 2.568 20 5 CFBDMO COc1ccc(C[NH2+]Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000051576476 346505081 /nfs/dbraw/zinc/50/50/81/346505081.db2.gz GPZYEFWYNKEYNU-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058563805 346646258 /nfs/dbraw/zinc/64/62/58/346646258.db2.gz ADORJVGKMILDHD-BETUJISGSA-N 1 1 278.352 2.952 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C ZINC000066560002 346767422 /nfs/dbraw/zinc/76/74/22/346767422.db2.gz LZLKCJHQORSEEJ-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065533902 346736119 /nfs/dbraw/zinc/73/61/19/346736119.db2.gz YHJCXTMCEYYWIM-UHFFFAOYSA-N 1 1 296.367 2.578 20 5 CFBDMO CCO[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076399866 347136536 /nfs/dbraw/zinc/13/65/36/347136536.db2.gz KITNUCONISAYGU-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076399866 347136538 /nfs/dbraw/zinc/13/65/38/347136538.db2.gz KITNUCONISAYGU-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076407123 347138359 /nfs/dbraw/zinc/13/83/59/347138359.db2.gz DXNUEEZOLXFUND-AWEZNQCLSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078583814 347263789 /nfs/dbraw/zinc/26/37/89/347263789.db2.gz LGHSVVPFWPHYPR-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO Cc1cnc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078653867 347267154 /nfs/dbraw/zinc/26/71/54/347267154.db2.gz GJRPAACPZZBCIX-AAEUAGOBSA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000079914519 347331402 /nfs/dbraw/zinc/33/14/02/347331402.db2.gz HWHZTPYRRGIAJK-LBPRGKRZSA-N 1 1 263.341 2.881 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207732 347449681 /nfs/dbraw/zinc/44/96/81/347449681.db2.gz VLVNFKNYPLRKHE-NXEZZACHSA-N 1 1 275.308 2.966 20 5 CFBDMO C[N@H+](CCC(C)(C)O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081648212 347431369 /nfs/dbraw/zinc/43/13/69/347431369.db2.gz LVFZOOVEFXNNQT-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO C[N@@H+](CCC(C)(C)O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081648212 347431371 /nfs/dbraw/zinc/43/13/71/347431371.db2.gz LVFZOOVEFXNNQT-UHFFFAOYSA-N 1 1 286.759 2.841 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480180 347588985 /nfs/dbraw/zinc/58/89/85/347588985.db2.gz COOVSPUNEWZCHT-JTQLQIEISA-N 1 1 290.298 2.841 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668219 347639154 /nfs/dbraw/zinc/63/91/54/347639154.db2.gz YBPHWFIIWISYEU-GXTWGEPZSA-N 1 1 277.368 2.680 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152857767 347971021 /nfs/dbraw/zinc/97/10/21/347971021.db2.gz QSVXOCVYGZQQEF-BETUJISGSA-N 1 1 276.336 2.706 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000153742073 347974834 /nfs/dbraw/zinc/97/48/34/347974834.db2.gz SZUBGQSIPWHMOV-NSHDSACASA-N 1 1 296.758 2.539 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778070 348002256 /nfs/dbraw/zinc/00/22/56/348002256.db2.gz NLVZJEUETWZWOT-WFASDCNBSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778070 348002260 /nfs/dbraw/zinc/00/22/60/348002260.db2.gz NLVZJEUETWZWOT-WFASDCNBSA-N 1 1 289.379 2.730 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000252006922 348294733 /nfs/dbraw/zinc/29/47/33/348294733.db2.gz PJMINGMCHJCHFT-JTQLQIEISA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000315337780 348428572 /nfs/dbraw/zinc/42/85/72/348428572.db2.gz NHRYYIRGDARYIQ-GFCCVEGCSA-N 1 1 298.346 2.792 20 5 CFBDMO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389797 348440818 /nfs/dbraw/zinc/44/08/18/348440818.db2.gz XNROHDRYFHBZBL-GXTWGEPZSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389797 348440822 /nfs/dbraw/zinc/44/08/22/348440822.db2.gz XNROHDRYFHBZBL-GXTWGEPZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000320036048 348435327 /nfs/dbraw/zinc/43/53/27/348435327.db2.gz CCQBWEAFCUFJJD-GFCCVEGCSA-N 1 1 295.358 2.650 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000587973647 348763403 /nfs/dbraw/zinc/76/34/03/348763403.db2.gz BTSGEYYKXAHUTD-NSHDSACASA-N 1 1 279.315 2.630 20 5 CFBDMO CO[C@@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589189360 348817989 /nfs/dbraw/zinc/81/79/89/348817989.db2.gz SWECOVGWZQCQQQ-FSBNRTBOSA-N 1 1 278.352 2.965 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCC2CC2)c1 ZINC000589505087 348837337 /nfs/dbraw/zinc/83/73/37/348837337.db2.gz ALMFIBAVRYWQEU-UHFFFAOYSA-N 1 1 292.335 2.613 20 5 CFBDMO Cc1cc(N[C@H]2CCc3c[nH+]cn3C2)c(F)cc1[N+](=O)[O-] ZINC000589692670 348851282 /nfs/dbraw/zinc/85/12/82/348851282.db2.gz SVQBLJNYGQTHSC-JTQLQIEISA-N 1 1 290.298 2.666 20 5 CFBDMO CC(C)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591281915 349006304 /nfs/dbraw/zinc/00/63/04/349006304.db2.gz VGJVNWLMOGZLJE-STQMWFEESA-N 1 1 295.358 2.508 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593114565 349212566 /nfs/dbraw/zinc/21/25/66/349212566.db2.gz CYQUNPINAFFBMN-ZDUSSCGKSA-N 1 1 282.290 2.868 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057159 349195802 /nfs/dbraw/zinc/19/58/02/349195802.db2.gz CLGREBUNLDHIIN-KBPBESRZSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057159 349195805 /nfs/dbraw/zinc/19/58/05/349195805.db2.gz CLGREBUNLDHIIN-KBPBESRZSA-N 1 1 278.352 2.984 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)CCO ZINC000593693819 349310614 /nfs/dbraw/zinc/31/06/14/349310614.db2.gz FHIACMHWICFYNY-KIWPFMIBSA-N 1 1 278.352 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(F)cn1 ZINC000594502643 349433199 /nfs/dbraw/zinc/43/31/99/349433199.db2.gz MJCGVKYDVROYMY-CQSZACIVSA-N 1 1 287.294 2.906 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000597206602 350055185 /nfs/dbraw/zinc/05/51/85/350055185.db2.gz SKWCHDJRXZYVIL-XBXARRHUSA-N 1 1 288.347 2.887 20 5 CFBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000597234838 350066757 /nfs/dbraw/zinc/06/67/57/350066757.db2.gz BVTCFAXWPLZEJP-MOCUHTECSA-N 1 1 290.363 2.558 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1C ZINC000271233510 191018578 /nfs/dbraw/zinc/01/85/78/191018578.db2.gz VKMUDXCLCHDVQX-UHFFFAOYSA-N 1 1 275.308 2.877 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104687440 186013821 /nfs/dbraw/zinc/01/38/21/186013821.db2.gz BUICIXSNGXWFMM-LLVKDONJSA-N 1 1 279.340 2.572 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832829 233372148 /nfs/dbraw/zinc/37/21/48/233372148.db2.gz DYOVMLVGKUTRTN-OAHLLOKOSA-N 1 1 291.395 2.900 20 5 CFBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000598645255 350300255 /nfs/dbraw/zinc/30/02/55/350300255.db2.gz BWONHQXHDYFWDO-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000598645255 350300257 /nfs/dbraw/zinc/30/02/57/350300257.db2.gz BWONHQXHDYFWDO-CMPLNLGQSA-N 1 1 298.770 2.699 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598646988 350301451 /nfs/dbraw/zinc/30/14/51/350301451.db2.gz JBMZXBVLGMJSRX-AWEZNQCLSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598678430 350308114 /nfs/dbraw/zinc/30/81/14/350308114.db2.gz YBIQWMLHXYQHHZ-AVXNYWLKSA-N 1 1 290.363 2.558 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+](C2CC2)C2CC2)c(F)c1 ZINC000599599565 350463623 /nfs/dbraw/zinc/46/36/23/350463623.db2.gz LSEICXMFAKLCLR-UHFFFAOYSA-N 1 1 250.273 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599646494 350472121 /nfs/dbraw/zinc/47/21/21/350472121.db2.gz LCGGMRIAMMCSCG-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599646494 350472124 /nfs/dbraw/zinc/47/21/24/350472124.db2.gz LCGGMRIAMMCSCG-UHFFFAOYSA-N 1 1 284.315 2.859 20 5 CFBDMO CC[C@@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000600168643 350528523 /nfs/dbraw/zinc/52/85/23/350528523.db2.gz LLMSHZVEXBSPCX-STMXVASLSA-N 1 1 278.352 2.701 20 5 CFBDMO CC[C@@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C ZINC000600892041 350624405 /nfs/dbraw/zinc/62/44/05/350624405.db2.gz BLUBUAYSCBCRMB-WCQYABFASA-N 1 1 291.351 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCSCC3)c2c1 ZINC000601104770 350669385 /nfs/dbraw/zinc/66/93/85/350669385.db2.gz GMMZOIINQQSCSY-UHFFFAOYSA-N 1 1 275.333 2.696 20 5 CFBDMO C[C@@H]1OCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000601130475 350677584 /nfs/dbraw/zinc/67/75/84/350677584.db2.gz LFTZCHSMBOJQTO-QWRGUYRKSA-N 1 1 287.319 2.757 20 5 CFBDMO C[C@@](CO)([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000601149533 350682176 /nfs/dbraw/zinc/68/21/76/350682176.db2.gz NQOJDKMMZCOBJU-AWEZNQCLSA-N 1 1 292.360 2.654 20 5 CFBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000601165978 350686626 /nfs/dbraw/zinc/68/66/26/350686626.db2.gz WNTWUOYBBOVVLI-GFCCVEGCSA-N 1 1 287.319 2.758 20 5 CFBDMO C[C@@H](CC(C)(C)O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601170521 350687076 /nfs/dbraw/zinc/68/70/76/350687076.db2.gz CLKRHQQFHVVHDN-JTQLQIEISA-N 1 1 289.335 2.526 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000601191472 350693206 /nfs/dbraw/zinc/69/32/06/350693206.db2.gz JYSOMJWCWYLAIK-LBPRGKRZSA-N 1 1 281.331 2.654 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601976190 350822513 /nfs/dbraw/zinc/82/25/13/350822513.db2.gz OFOWNUSOOZMGGP-YEKRNXETSA-N 1 1 288.347 2.576 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000111254400 186379744 /nfs/dbraw/zinc/37/97/44/186379744.db2.gz MWBGMJBKUUINCE-NSHDSACASA-N 1 1 293.367 2.820 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111275663 186386408 /nfs/dbraw/zinc/38/64/08/186386408.db2.gz GPSPAFHQLGLIAV-SWLSCSKDSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C ZINC000602480748 350900153 /nfs/dbraw/zinc/90/01/53/350900153.db2.gz JPDYGPLJORMBDO-UHFFFAOYSA-N 1 1 282.388 2.832 20 5 CFBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481243 350900570 /nfs/dbraw/zinc/90/05/70/350900570.db2.gz CGNOBKHWEIEQKF-WCQYABFASA-N 1 1 280.372 2.729 20 5 CFBDMO O=c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH]1 ZINC000602440641 350883674 /nfs/dbraw/zinc/88/36/74/350883674.db2.gz QTRWTBROCWXOEH-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO CC[C@](C)(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000602659182 350964512 /nfs/dbraw/zinc/96/45/12/350964512.db2.gz OOVMQPVFIAABGI-OAHLLOKOSA-N 1 1 280.368 2.884 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000602769165 351019592 /nfs/dbraw/zinc/01/95/92/351019592.db2.gz RSMXBKGQTMJLFP-AWEZNQCLSA-N 1 1 292.383 2.754 20 5 CFBDMO C[C@H]1OCC[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783707 351023458 /nfs/dbraw/zinc/02/34/58/351023458.db2.gz KTVPWFBFBLXUND-TZMCWYRMSA-N 1 1 290.363 2.984 20 5 CFBDMO CCC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811835 351035220 /nfs/dbraw/zinc/03/52/20/351035220.db2.gz ZAFFTZFXYWWCFA-CYBMUJFWSA-N 1 1 280.372 2.754 20 5 CFBDMO CCCC[C@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602835406 351040809 /nfs/dbraw/zinc/04/08/09/351040809.db2.gz AVJUTCKZLXZFMV-NSHDSACASA-N 1 1 268.361 2.610 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602897424 351060339 /nfs/dbraw/zinc/06/03/39/351060339.db2.gz JFGDNGSBMKYYIM-HNNXBMFYSA-N 1 1 298.346 2.764 20 5 CFBDMO CC[C@]1(O)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602741852 351011092 /nfs/dbraw/zinc/01/10/92/351011092.db2.gz WJACGAAHNSGADI-WHWKNOJMSA-N 1 1 290.363 2.845 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC(C)(C)CO1 ZINC000602758942 351014841 /nfs/dbraw/zinc/01/48/41/351014841.db2.gz KBOBICQDCGCFCU-ZDUSSCGKSA-N 1 1 278.352 2.842 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC(C)(C)CO1 ZINC000602758942 351014843 /nfs/dbraw/zinc/01/48/43/351014843.db2.gz KBOBICQDCGCFCU-ZDUSSCGKSA-N 1 1 278.352 2.842 20 5 CFBDMO CC[C@]1(O)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982205 351083813 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O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426526521 239238083 /nfs/dbraw/zinc/23/80/83/239238083.db2.gz TXBRJPSYSBQSSZ-SWLSCSKDSA-N 1 1 276.336 2.848 20 5 CFBDMO Cc1ccc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302175546 201382402 /nfs/dbraw/zinc/38/24/02/201382402.db2.gz WELCOMXEMVENAK-UHFFFAOYSA-N 1 1 275.352 2.967 20 5 CFBDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000432777018 240040097 /nfs/dbraw/zinc/04/00/97/240040097.db2.gz SBNYQNBMTREKJZ-HNNXBMFYSA-N 1 1 278.352 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C4CC4)C3)nc2c1 ZINC000444682232 241167518 /nfs/dbraw/zinc/16/75/18/241167518.db2.gz ZFSGZQSDXFDVMJ-LLVKDONJSA-N 1 1 286.335 2.703 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000449786180 242164442 /nfs/dbraw/zinc/16/44/42/242164442.db2.gz LWFOJBQYOIXXLL-INIZCTEOSA-N 1 1 291.395 2.818 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450308289 242350960 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CFBDMO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644165 372681167 /nfs/dbraw/zinc/68/11/67/372681167.db2.gz BXRCZWCDZJGMDY-BBRMVZONSA-N 1 1 291.395 2.977 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000048336922 373165185 /nfs/dbraw/zinc/16/51/85/373165185.db2.gz XHQPNVFOJJIBBH-UONOGXRCSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336865 373165445 /nfs/dbraw/zinc/16/54/45/373165445.db2.gz KZAHOOYGVLVGAJ-QWHCGFSZSA-N 1 1 261.325 2.634 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CO)c(Cl)c1 ZINC000050104310 373353208 /nfs/dbraw/zinc/35/32/08/373353208.db2.gz IVPOCHCZOBMDNL-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(Cl)c1 ZINC000050104310 373353216 /nfs/dbraw/zinc/35/32/16/373353216.db2.gz IVPOCHCZOBMDNL-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CO)c(Cl)c1 ZINC000050104311 373354794 /nfs/dbraw/zinc/35/47/94/373354794.db2.gz IVPOCHCZOBMDNL-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CO)c(Cl)c1 ZINC000050104311 373354797 /nfs/dbraw/zinc/35/47/97/373354797.db2.gz IVPOCHCZOBMDNL-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451736107 383694605 /nfs/dbraw/zinc/69/46/05/383694605.db2.gz ZBIQXROFLPLOMX-LBPRGKRZSA-N 1 1 295.358 2.650 20 5 CFBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533444 373884740 /nfs/dbraw/zinc/88/47/40/373884740.db2.gz TZQCXDLNDXZHPD-UHFFFAOYSA-N 1 1 264.325 2.846 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065423271 373870366 /nfs/dbraw/zinc/87/03/66/373870366.db2.gz SKRCVKOAQJKZLM-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065423271 373870372 /nfs/dbraw/zinc/87/03/72/373870372.db2.gz SKRCVKOAQJKZLM-LLVKDONJSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC000072827117 374289922 /nfs/dbraw/zinc/28/99/22/374289922.db2.gz PQSRYTLITPRZQX-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000072827117 374289928 /nfs/dbraw/zinc/28/99/28/374289928.db2.gz PQSRYTLITPRZQX-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072875102 374297751 /nfs/dbraw/zinc/29/77/51/374297751.db2.gz RRGPZWCNXMUTEJ-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072875102 374297754 /nfs/dbraw/zinc/29/77/54/374297754.db2.gz RRGPZWCNXMUTEJ-VIFPVBQESA-N 1 1 297.742 2.671 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874708 374297887 /nfs/dbraw/zinc/29/78/87/374297887.db2.gz GFLZPJQLJFXDKM-NSHDSACASA-N 1 1 291.351 2.716 20 5 CFBDMO CCOC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000072975879 374311349 /nfs/dbraw/zinc/31/13/49/374311349.db2.gz DJZMPCWCYANMMC-NSHDSACASA-N 1 1 284.381 2.905 20 5 CFBDMO CCOC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000072975879 374311354 /nfs/dbraw/zinc/31/13/54/374311354.db2.gz DJZMPCWCYANMMC-NSHDSACASA-N 1 1 284.381 2.905 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287512 374411582 /nfs/dbraw/zinc/41/15/82/374411582.db2.gz CPKCEYZBNYPJOH-HOTGVXAUSA-N 1 1 292.379 2.763 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076117856 374534760 /nfs/dbraw/zinc/53/47/60/374534760.db2.gz FKXKCNDQOGCODP-JTQLQIEISA-N 1 1 288.307 2.629 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000492295116 246247435 /nfs/dbraw/zinc/24/74/35/246247435.db2.gz PEZGPRAUXHLDFX-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000492295116 246247440 /nfs/dbraw/zinc/24/74/40/246247440.db2.gz PEZGPRAUXHLDFX-IINYFYTJSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076344548 374547310 /nfs/dbraw/zinc/54/73/10/374547310.db2.gz KLESTDJELCLSQR-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096882 374686298 /nfs/dbraw/zinc/68/62/98/374686298.db2.gz TXXQCUNHTCPDPG-UKRRQHHQSA-N 1 1 291.395 2.757 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081570883 374706356 /nfs/dbraw/zinc/70/63/56/374706356.db2.gz ZSMTUVBMIPUWQP-OAHLLOKOSA-N 1 1 291.395 2.759 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081584756 374707055 /nfs/dbraw/zinc/70/70/55/374707055.db2.gz XLJLGMGOLZWGEQ-AWEZNQCLSA-N 1 1 291.395 2.759 20 5 CFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000089936314 374970938 /nfs/dbraw/zinc/97/09/38/374970938.db2.gz VWNDDPMBIMEJFU-ZDUSSCGKSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000089936313 374971333 /nfs/dbraw/zinc/97/13/33/374971333.db2.gz VWNDDPMBIMEJFU-CYBMUJFWSA-N 1 1 296.392 2.801 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089936866 374972089 /nfs/dbraw/zinc/97/20/89/374972089.db2.gz ZHBPUVRAIRGLRC-SECBINFHSA-N 1 1 258.368 2.594 20 5 CFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089936866 374972094 /nfs/dbraw/zinc/97/20/94/374972094.db2.gz ZHBPUVRAIRGLRC-SECBINFHSA-N 1 1 258.368 2.594 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000093839726 375319194 /nfs/dbraw/zinc/31/91/94/375319194.db2.gz YNCCAVMSIWKZJZ-BPJJOFIESA-N 1 1 276.336 2.576 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000108934261 375818491 /nfs/dbraw/zinc/81/84/91/375818491.db2.gz YQTZSSMKSUXKGB-GHMZBOCLSA-N 1 1 279.315 2.773 20 5 CFBDMO C[C@@H](Cn1cccn1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111333738 375838038 /nfs/dbraw/zinc/83/80/38/375838038.db2.gz KGPKWIAYGXDNEK-JTQLQIEISA-N 1 1 294.742 2.623 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118415056 376295970 /nfs/dbraw/zinc/29/59/70/376295970.db2.gz JXKZVLRJUIPPHT-VXGBXAGGSA-N 1 1 280.393 2.963 20 5 CFBDMO C[C@@H]1SCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118419802 376298237 /nfs/dbraw/zinc/29/82/37/376298237.db2.gz RWTPXOZBFRACBI-RYUDHWBXSA-N 1 1 296.392 2.799 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000119217467 376374680 /nfs/dbraw/zinc/37/46/80/376374680.db2.gz IOIDLARLOOZLAS-CYBMUJFWSA-N 1 1 298.770 2.984 20 5 CFBDMO Cc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000125662725 377182046 /nfs/dbraw/zinc/18/20/46/377182046.db2.gz HSKYVTKSTWHNNM-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000135431381 378131712 /nfs/dbraw/zinc/13/17/12/378131712.db2.gz WWRBMKJLDXFNPF-ZDUSSCGKSA-N 1 1 266.366 2.922 20 5 CFBDMO CSC[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000135469139 378136350 /nfs/dbraw/zinc/13/63/50/378136350.db2.gz IFTPZSXBUZHARM-ZDUSSCGKSA-N 1 1 296.392 2.801 20 5 CFBDMO CC[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135709679 378160048 /nfs/dbraw/zinc/16/00/48/378160048.db2.gz ZJPCTYWIMLYAPJ-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135709679 378160053 /nfs/dbraw/zinc/16/00/53/378160053.db2.gz ZJPCTYWIMLYAPJ-OAHLLOKOSA-N 1 1 278.352 2.904 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000148501696 378257537 /nfs/dbraw/zinc/25/75/37/378257537.db2.gz UZVKRSCWCNFHHV-WDEREUQCSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1ccccn1)C2 ZINC000153197997 378480445 /nfs/dbraw/zinc/48/04/45/378480445.db2.gz PGYPRFZFGOZALE-UHFFFAOYSA-N 1 1 283.331 2.591 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154438657 378567389 /nfs/dbraw/zinc/56/73/89/378567389.db2.gz HQNVFVUIPWUNTH-CQSZACIVSA-N 1 1 278.352 2.639 20 5 CFBDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000330550375 378581606 /nfs/dbraw/zinc/58/16/06/378581606.db2.gz DSUMQHPAZGAGOV-HZMBPMFUSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000330550375 378581614 /nfs/dbraw/zinc/58/16/14/378581614.db2.gz DSUMQHPAZGAGOV-HZMBPMFUSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332297604 378744233 /nfs/dbraw/zinc/74/42/33/378744233.db2.gz URWJKGTYWIZFGH-NEPJUHHUSA-N 1 1 264.325 2.624 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000332537705 378772665 /nfs/dbraw/zinc/77/26/65/378772665.db2.gz VZHKQPCARNDDNG-UHFFFAOYSA-N 1 1 298.346 2.560 20 5 CFBDMO Cc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000332537705 378772669 /nfs/dbraw/zinc/77/26/69/378772669.db2.gz VZHKQPCARNDDNG-UHFFFAOYSA-N 1 1 298.346 2.560 20 5 CFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000161312060 378839914 /nfs/dbraw/zinc/83/99/14/378839914.db2.gz ITEQZGHNWBIOFN-CYBMUJFWSA-N 1 1 292.383 2.770 20 5 CFBDMO Cc1c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000163196461 378958530 /nfs/dbraw/zinc/95/85/30/378958530.db2.gz LRMDCOUMABIKKB-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000163249573 378962244 /nfs/dbraw/zinc/96/22/44/378962244.db2.gz VMHHETVWENAXNZ-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000171700811 379377735 /nfs/dbraw/zinc/37/77/35/379377735.db2.gz DXGZHCJORLHEJX-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)C1 ZINC000171700811 379377751 /nfs/dbraw/zinc/37/77/51/379377751.db2.gz DXGZHCJORLHEJX-JTQLQIEISA-N 1 1 282.365 2.541 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171951883 379450150 /nfs/dbraw/zinc/45/01/50/379450150.db2.gz YGLDTJBKYBHGOL-RYUDHWBXSA-N 1 1 293.367 2.900 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000171948819 379447608 /nfs/dbraw/zinc/44/76/08/379447608.db2.gz AAJXZSKHEKSKGY-LLVKDONJSA-N 1 1 293.367 2.820 20 5 CFBDMO C[C@@H]1CSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000172594280 379600710 /nfs/dbraw/zinc/60/07/10/379600710.db2.gz GECHRXIRRYRGBM-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@@H]1CSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000172594280 379600723 /nfs/dbraw/zinc/60/07/23/379600723.db2.gz GECHRXIRRYRGBM-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO CC[N@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372863 379731884 /nfs/dbraw/zinc/73/18/84/379731884.db2.gz VXAYJXFRPSCLJS-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372863 379731887 /nfs/dbraw/zinc/73/18/87/379731887.db2.gz VXAYJXFRPSCLJS-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392929 379734177 /nfs/dbraw/zinc/73/41/77/379734177.db2.gz OOUBJYBNERESBF-RYUDHWBXSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392929 379734185 /nfs/dbraw/zinc/73/41/85/379734185.db2.gz OOUBJYBNERESBF-RYUDHWBXSA-N 1 1 277.368 2.728 20 5 CFBDMO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937976 /nfs/dbraw/zinc/93/79/76/379937976.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937979 /nfs/dbraw/zinc/93/79/79/379937979.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 1 1 291.395 2.757 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000176245019 380201484 /nfs/dbraw/zinc/20/14/84/380201484.db2.gz OABKWZYYJMPNJA-OAHLLOKOSA-N 1 1 290.367 2.614 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000177878410 380389543 /nfs/dbraw/zinc/38/95/43/380389543.db2.gz AXYHNWNQLATRFZ-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178370248 380443560 /nfs/dbraw/zinc/44/35/60/380443560.db2.gz VGJBSDUFYSOPOY-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H]1CCSCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279151795 194306682 /nfs/dbraw/zinc/30/66/82/194306682.db2.gz APKVGXXXKBNJFK-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO CCC[C@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180344645 380646052 /nfs/dbraw/zinc/64/60/52/380646052.db2.gz BACGSCCETAHBIW-STQMWFEESA-N 1 1 292.383 2.912 20 5 CFBDMO COc1ccc(C[N@H+](C[C@H](C)OC)C(C)C)cc1[N+](=O)[O-] ZINC000353799881 380860397 /nfs/dbraw/zinc/86/03/97/380860397.db2.gz XKJFLZYTYPNEBP-LBPRGKRZSA-N 1 1 296.367 2.849 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000279297950 194373476 /nfs/dbraw/zinc/37/34/76/194373476.db2.gz LTVFXHFILIDEDQ-HNNXBMFYSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc(CN2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000182134487 380998398 /nfs/dbraw/zinc/99/83/98/380998398.db2.gz LTBMFKNLKWZKML-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347208506 381004672 /nfs/dbraw/zinc/00/46/72/381004672.db2.gz NJYWQPFGVYJNRF-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411943001 381065190 /nfs/dbraw/zinc/06/51/90/381065190.db2.gz MKZKDDTZOUAHFL-DLBZAZTESA-N 1 1 298.342 2.903 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341529056 381066759 /nfs/dbraw/zinc/06/67/59/381066759.db2.gz HIBHHRPWVFCMIH-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353731 381071938 /nfs/dbraw/zinc/07/19/38/381071938.db2.gz REBZHYOPCWXOQR-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182353731 381071942 /nfs/dbraw/zinc/07/19/42/381071942.db2.gz REBZHYOPCWXOQR-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC2(CC2)C1 ZINC000341566809 381092151 /nfs/dbraw/zinc/09/21/51/381092151.db2.gz QCHGJVKQAILGBN-HYXAFXHYSA-N 1 1 288.347 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOCC2(CC2)C1 ZINC000341566809 381092167 /nfs/dbraw/zinc/09/21/67/381092167.db2.gz QCHGJVKQAILGBN-HYXAFXHYSA-N 1 1 288.347 2.720 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279335795 194389773 /nfs/dbraw/zinc/38/97/73/194389773.db2.gz PFYNQCLKXURFIT-MLGOLLRUSA-N 1 1 290.363 2.637 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000347384759 381113272 /nfs/dbraw/zinc/11/32/72/381113272.db2.gz XVNWMWGRAZRZMC-ARRLWOLASA-N 1 1 290.363 2.701 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC(O)C1 ZINC000347387446 381115202 /nfs/dbraw/zinc/11/52/02/381115202.db2.gz ZRRCTPGWSYASCH-SDQBBNPISA-N 1 1 290.363 2.701 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092479 381158199 /nfs/dbraw/zinc/15/81/99/381158199.db2.gz RDHPJRVIZCHICZ-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412092479 381158204 /nfs/dbraw/zinc/15/82/04/381158204.db2.gz RDHPJRVIZCHICZ-JQWIXIFHSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289729455 381123889 /nfs/dbraw/zinc/12/38/89/381123889.db2.gz DGYBRCJTKSRXHB-OAHLLOKOSA-N 1 1 286.335 2.547 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cs1 ZINC000369467009 381266743 /nfs/dbraw/zinc/26/67/43/381266743.db2.gz KXPXAAMQAGASJI-NWDGAFQWSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cs1 ZINC000369467009 381266750 /nfs/dbraw/zinc/26/67/50/381266750.db2.gz KXPXAAMQAGASJI-NWDGAFQWSA-N 1 1 282.365 2.800 20 5 CFBDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289927928 381220725 /nfs/dbraw/zinc/22/07/25/381220725.db2.gz OEHIINSSHHRISQ-OAHLLOKOSA-N 1 1 292.379 2.966 20 5 CFBDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578653 381235233 /nfs/dbraw/zinc/23/52/33/381235233.db2.gz PLIJUDOINIVFGO-CHWSQXEVSA-N 1 1 294.399 2.938 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000370055565 381376054 /nfs/dbraw/zinc/37/60/54/381376054.db2.gz KOLDLQIITWKQPO-SNVBAGLBSA-N 1 1 292.364 2.727 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000370055565 381376059 /nfs/dbraw/zinc/37/60/59/381376059.db2.gz KOLDLQIITWKQPO-SNVBAGLBSA-N 1 1 292.364 2.727 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290392241 381410144 /nfs/dbraw/zinc/41/01/44/381410144.db2.gz IXHKQDPXHSHAEM-CJNGLKHVSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290392241 381410156 /nfs/dbraw/zinc/41/01/56/381410156.db2.gz IXHKQDPXHSHAEM-CJNGLKHVSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290392241 381410164 /nfs/dbraw/zinc/41/01/64/381410164.db2.gz IXHKQDPXHSHAEM-CJNGLKHVSA-N 1 1 291.395 2.675 20 5 CFBDMO COc1cc(C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184233990 381390218 /nfs/dbraw/zinc/39/02/18/381390218.db2.gz PZBJTQXVZDYCIF-JTQLQIEISA-N 1 1 282.315 2.974 20 5 CFBDMO COc1cc(C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184233990 381390223 /nfs/dbraw/zinc/39/02/23/381390223.db2.gz PZBJTQXVZDYCIF-JTQLQIEISA-N 1 1 282.315 2.974 20 5 CFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184242445 381391791 /nfs/dbraw/zinc/39/17/91/381391791.db2.gz VCDZMQAHEPEZQV-UHFFFAOYSA-N 1 1 268.288 2.727 20 5 CFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184242445 381391796 /nfs/dbraw/zinc/39/17/96/381391796.db2.gz VCDZMQAHEPEZQV-UHFFFAOYSA-N 1 1 268.288 2.727 20 5 CFBDMO Cc1c(C[N@@H+](C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342604661 381429684 /nfs/dbraw/zinc/42/96/84/381429684.db2.gz NLPRTRBRMAEPHV-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342679760 381474903 /nfs/dbraw/zinc/47/49/03/381474903.db2.gz FWIBDSLASZKVAU-OAHLLOKOSA-N 1 1 277.368 2.509 20 5 CFBDMO COc1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501078 381454266 /nfs/dbraw/zinc/45/42/66/381454266.db2.gz AROJGQSYQATHPX-WDEREUQCSA-N 1 1 291.351 2.641 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000290813070 381560917 /nfs/dbraw/zinc/56/09/17/381560917.db2.gz RNLGGDCXUBVYQS-MNOVXSKESA-N 1 1 291.351 2.641 20 5 CFBDMO COC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000348706373 381675443 /nfs/dbraw/zinc/67/54/43/381675443.db2.gz HLNLCFZVSIRTMY-UHFFFAOYSA-N 1 1 264.325 2.512 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000355235547 381695229 /nfs/dbraw/zinc/69/52/29/381695229.db2.gz JXGNZLFNTSEYBI-CABCVRRESA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458127 381727273 /nfs/dbraw/zinc/72/72/73/381727273.db2.gz BQDXYHKXBOSBRX-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343449864 381718372 /nfs/dbraw/zinc/71/83/72/381718372.db2.gz DNYBPROZJOONKM-ONGXEEELSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291377545 381761238 /nfs/dbraw/zinc/76/12/38/381761238.db2.gz ZYSMKTWWCIZFCE-AWEZNQCLSA-N 1 1 278.352 2.903 20 5 CFBDMO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000298906784 381778325 /nfs/dbraw/zinc/77/83/25/381778325.db2.gz MVOTXTPMQFRRDZ-LBPRGKRZSA-N 1 1 293.367 2.552 20 5 CFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292441214 381804868 /nfs/dbraw/zinc/80/48/68/381804868.db2.gz YISPKFMAGHUSTE-CQSZACIVSA-N 1 1 295.770 2.780 20 5 CFBDMO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349246418 381864023 /nfs/dbraw/zinc/86/40/23/381864023.db2.gz XEYTWSUZNJRCCQ-GFCCVEGCSA-N 1 1 295.770 2.921 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000186494894 381926941 /nfs/dbraw/zinc/92/69/41/381926941.db2.gz XBGGCCZEUVZWFZ-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000186494894 381926949 /nfs/dbraw/zinc/92/69/49/381926949.db2.gz XBGGCCZEUVZWFZ-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293160064 382013653 /nfs/dbraw/zinc/01/36/53/382013653.db2.gz VNWYKPPEJABUBZ-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2CCC1CC2 ZINC000362338622 382014208 /nfs/dbraw/zinc/01/42/08/382014208.db2.gz CANSWZPPEBBKRS-UHFFFAOYSA-N 1 1 276.336 2.978 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273703 382058306 /nfs/dbraw/zinc/05/83/06/382058306.db2.gz CLUBNEURJXVIPQ-VXGBXAGGSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273703 382058312 /nfs/dbraw/zinc/05/83/12/382058312.db2.gz CLUBNEURJXVIPQ-VXGBXAGGSA-N 1 1 294.399 2.558 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000343940276 382030384 /nfs/dbraw/zinc/03/03/84/382030384.db2.gz FJNHIFQCHOQBSA-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301212937 382107497 /nfs/dbraw/zinc/10/74/97/382107497.db2.gz WBQULCJMQXJRLF-LBPRGKRZSA-N 1 1 291.351 2.551 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000362516602 382116794 /nfs/dbraw/zinc/11/67/94/382116794.db2.gz QWKLZMBJUQDRHU-UHFFFAOYSA-N 1 1 292.379 2.969 20 5 CFBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020162 382072466 /nfs/dbraw/zinc/07/24/66/382072466.db2.gz NKOFVOCISIBCDE-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CCCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020162 382072471 /nfs/dbraw/zinc/07/24/71/382072471.db2.gz NKOFVOCISIBCDE-ZDUSSCGKSA-N 1 1 279.384 2.977 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000357238123 382072429 /nfs/dbraw/zinc/07/24/29/382072429.db2.gz MDYOCXUCJDXRRE-LLVKDONJSA-N 1 1 293.367 2.940 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357237349 382072770 /nfs/dbraw/zinc/07/27/70/382072770.db2.gz LFUCGLAGPCMQDR-NSHDSACASA-N 1 1 292.383 2.705 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293357125 382091890 /nfs/dbraw/zinc/09/18/90/382091890.db2.gz ZQRQQFRVNRIXOC-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293357125 382091894 /nfs/dbraw/zinc/09/18/94/382091894.db2.gz ZQRQQFRVNRIXOC-GFCCVEGCSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351976350 382101741 /nfs/dbraw/zinc/10/17/41/382101741.db2.gz AETXPJIBWXNYPB-NSHDSACASA-N 1 1 264.325 2.978 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000187575137 382215781 /nfs/dbraw/zinc/21/57/81/382215781.db2.gz MBKITTQLTCFKOD-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187580454 382215809 /nfs/dbraw/zinc/21/58/09/382215809.db2.gz IELZCUVLARNKQT-OAHLLOKOSA-N 1 1 278.352 2.579 20 5 CFBDMO CC(=O)c1cc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357560601 382226986 /nfs/dbraw/zinc/22/69/86/382226986.db2.gz AVIOQPCPMUXREQ-NSHDSACASA-N 1 1 293.367 2.938 20 5 CFBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccccc1 ZINC000362647136 382186662 /nfs/dbraw/zinc/18/66/62/382186662.db2.gz CGSPNIGEFBLRKO-ZBFHGGJFSA-N 1 1 298.346 2.847 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975582 382313095 /nfs/dbraw/zinc/31/30/95/382313095.db2.gz CDDFJQVFYHWNGE-SWLSCSKDSA-N 1 1 278.352 2.578 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000357773731 382313400 /nfs/dbraw/zinc/31/34/00/382313400.db2.gz IAXYKGGEDMONIY-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CCOc1cc(N2CC[C@@H]([N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000302792861 382320752 /nfs/dbraw/zinc/32/07/52/382320752.db2.gz ZKAXFPRGJZTEKZ-CYBMUJFWSA-N 1 1 293.367 2.524 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000352426738 382327294 /nfs/dbraw/zinc/32/72/94/382327294.db2.gz XOSCZBMCPLHZKZ-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CCC[N@H+]1CCCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000364280839 382297357 /nfs/dbraw/zinc/29/73/57/382297357.db2.gz SFDHBPQRASWJRA-UHFFFAOYSA-N 1 1 293.367 2.526 20 5 CFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925695 382299382 /nfs/dbraw/zinc/29/93/82/382299382.db2.gz PFXLTWWJRRRVBL-DOMZBBRYSA-N 1 1 278.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420314333 382362960 /nfs/dbraw/zinc/36/29/60/382362960.db2.gz VOZSHEFNIRAPBG-APYUEPQZSA-N 1 1 289.379 2.633 20 5 CFBDMO COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352544911 382390189 /nfs/dbraw/zinc/39/01/89/382390189.db2.gz DNWUBAOHWCAMRN-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO COc1cc(C[N@H+]2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000352544759 382390371 /nfs/dbraw/zinc/39/03/71/382390371.db2.gz CRDQYGVKOQEXFI-UHFFFAOYSA-N 1 1 262.309 2.732 20 5 CFBDMO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000352550063 382393128 /nfs/dbraw/zinc/39/31/28/382393128.db2.gz JPABZXVYAUXPOX-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000352550063 382393135 /nfs/dbraw/zinc/39/31/35/382393135.db2.gz JPABZXVYAUXPOX-UHFFFAOYSA-N 1 1 275.308 2.566 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798184 382347224 /nfs/dbraw/zinc/34/72/24/382347224.db2.gz FHBVZXLJMNKKRE-PWSUYJOCSA-N 1 1 286.335 2.526 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352628070 382422887 /nfs/dbraw/zinc/42/28/87/382422887.db2.gz IGDDIVBXUWGVAL-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000037647640 184541634 /nfs/dbraw/zinc/54/16/34/184541634.db2.gz POFWIEJQLKQQPC-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294301999 382501272 /nfs/dbraw/zinc/50/12/72/382501272.db2.gz ZWOWPYRIBNUMET-GWCFXTLKSA-N 1 1 272.308 2.587 20 5 CFBDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358275959 382541763 /nfs/dbraw/zinc/54/17/63/382541763.db2.gz PKFOTOBTDNLXFL-GFCCVEGCSA-N 1 1 280.372 2.692 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](SC)C1 ZINC000295036447 382563657 /nfs/dbraw/zinc/56/36/57/382563657.db2.gz MEFVJOZINHEFAU-ZDUSSCGKSA-N 1 1 296.392 2.931 20 5 CFBDMO COC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353591152 382568276 /nfs/dbraw/zinc/56/82/76/382568276.db2.gz WMQGTNINTUXVDJ-RYWCDNDXSA-N 1 1 276.336 2.576 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000358359261 382586987 /nfs/dbraw/zinc/58/69/87/382586987.db2.gz TVYWMHINBWKCKI-NSHDSACASA-N 1 1 272.308 2.544 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000389298194 382614124 /nfs/dbraw/zinc/61/41/24/382614124.db2.gz ZBWHBFOHWXQWMQ-LLVKDONJSA-N 1 1 281.331 2.937 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)CO ZINC000295329113 382618411 /nfs/dbraw/zinc/61/84/11/382618411.db2.gz XATZCCBNEDGIJC-LLVKDONJSA-N 1 1 266.341 2.606 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000189677974 382634882 /nfs/dbraw/zinc/63/48/82/382634882.db2.gz WCSAXWQACOONMX-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000189897823 382644499 /nfs/dbraw/zinc/64/44/99/382644499.db2.gz YSIGONJMQYBRQR-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193474757 382720041 /nfs/dbraw/zinc/72/00/41/382720041.db2.gz UAXNSFWZNULFBO-LBPRGKRZSA-N 1 1 292.383 2.567 20 5 CFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000195508856 382768418 /nfs/dbraw/zinc/76/84/18/382768418.db2.gz UANOCNMNCUFWIZ-ZJUUUORDSA-N 1 1 284.385 2.584 20 5 CFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000195510568 382768857 /nfs/dbraw/zinc/76/88/57/382768857.db2.gz GARTVRURXGLLGA-UHFFFAOYSA-N 1 1 292.364 2.595 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000227651208 382839038 /nfs/dbraw/zinc/83/90/38/382839038.db2.gz GHYFYUMGWCXUOE-MRVPVSSYSA-N 1 1 284.747 2.538 20 5 CFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000227651433 382839062 /nfs/dbraw/zinc/83/90/62/382839062.db2.gz IZUQDHBFTGVZAN-UHFFFAOYSA-N 1 1 298.774 2.930 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000227920324 382842449 /nfs/dbraw/zinc/84/24/49/382842449.db2.gz WTEDQULTQDGWFO-SNVBAGLBSA-N 1 1 269.320 2.876 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cn[nH]c1 ZINC000229882175 382853985 /nfs/dbraw/zinc/85/39/85/382853985.db2.gz XDBJWSQVSWKLDM-MRVPVSSYSA-N 1 1 280.715 2.822 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441345256 382909176 /nfs/dbraw/zinc/90/91/76/382909176.db2.gz GLQOOTRGLZPIJY-SMDDNHRTSA-N 1 1 294.351 2.603 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C(C)(C)C ZINC000577488583 382860946 /nfs/dbraw/zinc/86/09/46/382860946.db2.gz DFUVWMODOFLFAA-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000441389930 382913098 /nfs/dbraw/zinc/91/30/98/382913098.db2.gz XZEHEXGCLALEOX-UHFFFAOYSA-N 1 1 294.351 2.857 20 5 CFBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441436432 382914403 /nfs/dbraw/zinc/91/44/03/382914403.db2.gz ODJBKERDIKKPPI-NEPJUHHUSA-N 1 1 294.351 2.713 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441632782 382921335 /nfs/dbraw/zinc/92/13/35/382921335.db2.gz GDTYAWZIRBPKSL-RYUDHWBXSA-N 1 1 294.326 2.592 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000554179268 383126359 /nfs/dbraw/zinc/12/63/59/383126359.db2.gz KXAAXKJGDGLYDX-SECBINFHSA-N 1 1 274.324 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246969037 383126839 /nfs/dbraw/zinc/12/68/39/383126839.db2.gz XTAUKPGMEXHNSC-GOEBONIOSA-N 1 1 290.363 2.638 20 5 CFBDMO CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000339441911 383198909 /nfs/dbraw/zinc/19/89/09/383198909.db2.gz UKNSELFOLHUIRG-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000247152363 383147762 /nfs/dbraw/zinc/14/77/62/383147762.db2.gz XCOLLKDOWXBVNM-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000511606714 383150548 /nfs/dbraw/zinc/15/05/48/383150548.db2.gz WYWLOWNEXKBAFK-ZLKJLUDKSA-N 1 1 264.325 2.501 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339618591 383263235 /nfs/dbraw/zinc/26/32/35/383263235.db2.gz HBAOWAMQMWTZIL-IHRRRGAJSA-N 1 1 291.395 2.989 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492060 383330554 /nfs/dbraw/zinc/33/05/54/383330554.db2.gz BDZCITVGLOLTFV-VWEWAFOGSA-N 1 1 290.363 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cocn3)C2)cc1 ZINC000449506929 383343547 /nfs/dbraw/zinc/34/35/47/383343547.db2.gz ZODTXARNUFOEMT-ZDUSSCGKSA-N 1 1 287.319 2.962 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cocn3)C2)cc1 ZINC000449506929 383343548 /nfs/dbraw/zinc/34/35/48/383343548.db2.gz ZODTXARNUFOEMT-ZDUSSCGKSA-N 1 1 287.319 2.962 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725131 383306777 /nfs/dbraw/zinc/30/67/77/383306777.db2.gz WAOYBJASBUWJFX-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251338664 383387077 /nfs/dbraw/zinc/38/70/77/383387077.db2.gz PROVUIDREKXPSV-IUODEOHRSA-N 1 1 279.384 2.961 20 5 CFBDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674154 383425406 /nfs/dbraw/zinc/42/54/06/383425406.db2.gz PIUJFWSRZSJOKF-GJZGRUSLSA-N 1 1 289.379 2.620 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674576 383427606 /nfs/dbraw/zinc/42/76/06/383427606.db2.gz SJFHPLCHIYPGSX-MNOVXSKESA-N 1 1 279.315 2.773 20 5 CFBDMO CCC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450487369 383433912 /nfs/dbraw/zinc/43/39/12/383433912.db2.gz SEFQWEWNBZHTTN-UHFFFAOYSA-N 1 1 276.336 2.712 20 5 CFBDMO CCC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450487369 383433913 /nfs/dbraw/zinc/43/39/13/383433913.db2.gz SEFQWEWNBZHTTN-UHFFFAOYSA-N 1 1 276.336 2.712 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840208 383437352 /nfs/dbraw/zinc/43/73/52/383437352.db2.gz BMEZGTGZQZLEAC-PAPYEOQZSA-N 1 1 289.379 2.715 20 5 CFBDMO CC(C)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488011661 383488299 /nfs/dbraw/zinc/48/82/99/383488299.db2.gz RVKJYQQLGYTOOK-CJNGLKHVSA-N 1 1 291.395 2.928 20 5 CFBDMO COCC(C)(C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429231324 383506919 /nfs/dbraw/zinc/50/69/19/383506919.db2.gz FKJAKNVAJFKIRN-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429231324 383506926 /nfs/dbraw/zinc/50/69/26/383506926.db2.gz FKJAKNVAJFKIRN-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000341155095 383585882 /nfs/dbraw/zinc/58/58/82/383585882.db2.gz ZQTOABKJQMDVBH-GFCCVEGCSA-N 1 1 280.372 2.831 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450948200 383562901 /nfs/dbraw/zinc/56/29/01/383562901.db2.gz FDOWFZMAOINGLM-CQSZACIVSA-N 1 1 277.368 2.822 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770647 383567538 /nfs/dbraw/zinc/56/75/38/383567538.db2.gz KSXKGUBJEIILMA-NEPJUHHUSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000489895625 383641907 /nfs/dbraw/zinc/64/19/07/383641907.db2.gz LDJXHNBGIIYRBB-GFCCVEGCSA-N 1 1 272.308 2.527 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451552581 383645337 /nfs/dbraw/zinc/64/53/37/383645337.db2.gz YWXHEBDZNVQGJX-ABAIWWIYSA-N 1 1 296.342 2.981 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451552581 383645341 /nfs/dbraw/zinc/64/53/41/383645341.db2.gz YWXHEBDZNVQGJX-ABAIWWIYSA-N 1 1 296.342 2.981 20 5 CFBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000490084128 383652046 /nfs/dbraw/zinc/65/20/46/383652046.db2.gz HSHZMMRENUTUPR-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO COc1cc(C[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])cc1F ZINC000489516556 383625889 /nfs/dbraw/zinc/62/58/89/383625889.db2.gz QCZQQOVHQYASKZ-ZDUSSCGKSA-N 1 1 282.315 2.973 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])cc1F ZINC000489516556 383625891 /nfs/dbraw/zinc/62/58/91/383625891.db2.gz QCZQQOVHQYASKZ-ZDUSSCGKSA-N 1 1 282.315 2.973 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000570730658 383629842 /nfs/dbraw/zinc/62/98/42/383629842.db2.gz ZFGSMVHNTJJYAY-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](F)C1 ZINC000570730658 383629846 /nfs/dbraw/zinc/62/98/46/383629846.db2.gz ZFGSMVHNTJJYAY-LBPRGKRZSA-N 1 1 252.289 2.837 20 5 CFBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264988347 383812457 /nfs/dbraw/zinc/81/24/57/383812457.db2.gz ATHYCNVGPLBINI-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243986 383812465 /nfs/dbraw/zinc/81/24/65/383812465.db2.gz CDTISTKFQFCKBN-SLEUVZQESA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243986 383812470 /nfs/dbraw/zinc/81/24/70/383812470.db2.gz CDTISTKFQFCKBN-SLEUVZQESA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453244006 383814268 /nfs/dbraw/zinc/81/42/68/383814268.db2.gz CDTISTKFQFCKBN-XUJVJEKNSA-N 1 1 277.368 2.586 20 5 CFBDMO CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453244006 383814271 /nfs/dbraw/zinc/81/42/71/383814271.db2.gz CDTISTKFQFCKBN-XUJVJEKNSA-N 1 1 277.368 2.586 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984324 383853476 /nfs/dbraw/zinc/85/34/76/383853476.db2.gz AACBSSRXJKMNJC-SMDDNHRTSA-N 1 1 277.368 2.512 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000573157870 383881154 /nfs/dbraw/zinc/88/11/54/383881154.db2.gz CVTZFBTXIOHNMK-LBPRGKRZSA-N 1 1 278.356 2.501 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496666 383933027 /nfs/dbraw/zinc/93/30/27/383933027.db2.gz WVWXLOZFYZUSNG-QMTHXVAHSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265496666 383933036 /nfs/dbraw/zinc/93/30/36/383933036.db2.gz WVWXLOZFYZUSNG-QMTHXVAHSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000573185494 383884763 /nfs/dbraw/zinc/88/47/63/383884763.db2.gz LACJZHHFIYNBAJ-SNVBAGLBSA-N 1 1 294.330 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000531949551 383946184 /nfs/dbraw/zinc/94/61/84/383946184.db2.gz ZZADMPALIBZTSG-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000531962929 383948169 /nfs/dbraw/zinc/94/81/69/383948169.db2.gz JJFFEGVGUAQAIC-OLZOCXBDSA-N 1 1 279.384 2.894 20 5 CFBDMO CSCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000266729234 384228049 /nfs/dbraw/zinc/22/80/49/384228049.db2.gz KGBACRQSRXWUHV-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267001150 384277772 /nfs/dbraw/zinc/27/77/72/384277772.db2.gz CUUUNRQKOLBEOS-GFCCVEGCSA-N 1 1 296.342 2.982 20 5 CFBDMO CC(C)C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289410287 197333355 /nfs/dbraw/zinc/33/33/55/197333355.db2.gz LTGUGMJYQLAZRH-UHFFFAOYSA-N 1 1 278.352 2.684 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@H+](C2CC2)CC1 ZINC000376173699 285117518 /nfs/dbraw/zinc/11/75/18/285117518.db2.gz PHNIBOSWTTXHOH-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO COCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000268763919 384656659 /nfs/dbraw/zinc/65/66/59/384656659.db2.gz ASLNSVFWQACJER-UHFFFAOYSA-N 1 1 276.292 2.624 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000279676209 384718643 /nfs/dbraw/zinc/71/86/43/384718643.db2.gz NZTMTFFDGKOJHM-RRGWEWPQSA-N 1 1 290.363 2.845 20 5 CFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739323 384743064 /nfs/dbraw/zinc/74/30/64/384743064.db2.gz KKPUWBVDDFEMGF-DGCLKSJQSA-N 1 1 296.342 2.859 20 5 CFBDMO CCC(C)(C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664867 384827766 /nfs/dbraw/zinc/82/77/66/384827766.db2.gz RLUMMGUEENVUDK-CYBMUJFWSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602924 384802323 /nfs/dbraw/zinc/80/23/23/384802323.db2.gz AYSUVKQXHAIWMH-TVQRCGJNSA-N 1 1 299.321 2.649 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000280355188 384988431 /nfs/dbraw/zinc/98/84/31/384988431.db2.gz JIWDODHIENYSGS-LLVKDONJSA-N 1 1 296.342 2.717 20 5 CFBDMO CSC1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289224195 197268244 /nfs/dbraw/zinc/26/82/44/197268244.db2.gz XXTHWLLOFCFPQG-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270335025 385060959 /nfs/dbraw/zinc/06/09/59/385060959.db2.gz YERISFFTPFNSDI-UKRRQHHQSA-N 1 1 298.346 2.847 20 5 CFBDMO CC1=CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270359340 385069040 /nfs/dbraw/zinc/06/90/40/385069040.db2.gz RFXKRUXKEWWDRZ-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270359340 385069049 /nfs/dbraw/zinc/06/90/49/385069049.db2.gz RFXKRUXKEWWDRZ-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000270367091 385073454 /nfs/dbraw/zinc/07/34/54/385073454.db2.gz SRUFXHXMYRQECO-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000270367091 385073460 /nfs/dbraw/zinc/07/34/60/385073460.db2.gz SRUFXHXMYRQECO-GFCCVEGCSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000280719097 385127014 /nfs/dbraw/zinc/12/70/14/385127014.db2.gz FMQAYVVPASLLBE-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000280719097 385127017 /nfs/dbraw/zinc/12/70/17/385127017.db2.gz FMQAYVVPASLLBE-LBPRGKRZSA-N 1 1 289.335 2.574 20 5 CFBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280638269 385096183 /nfs/dbraw/zinc/09/61/83/385096183.db2.gz YAWFNPRQOGXXSH-GFCCVEGCSA-N 1 1 278.352 2.578 20 5 CFBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270712299 385202170 /nfs/dbraw/zinc/20/21/70/385202170.db2.gz IJCIWFMIWZPYHK-NSHDSACASA-N 1 1 266.341 2.749 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)oc1C ZINC000282336777 385287265 /nfs/dbraw/zinc/28/72/65/385287265.db2.gz BOOQBGPNNBJMCB-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)oc1C ZINC000282336777 385287266 /nfs/dbraw/zinc/28/72/66/385287266.db2.gz BOOQBGPNNBJMCB-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1nnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400634 385300691 /nfs/dbraw/zinc/30/06/91/385300691.db2.gz HRLPNUXLZQTADG-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO Cc1nnc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400634 385300693 /nfs/dbraw/zinc/30/06/93/385300693.db2.gz HRLPNUXLZQTADG-JTQLQIEISA-N 1 1 290.323 2.522 20 5 CFBDMO CCOc1ccc([C@H](C)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000271122876 385342621 /nfs/dbraw/zinc/34/26/21/385342621.db2.gz JTUVFJXTHCUCKV-RYUDHWBXSA-N 1 1 295.383 2.594 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651968 385361539 /nfs/dbraw/zinc/36/15/39/385361539.db2.gz CIYVZMQRAHZIMJ-CABCVRRESA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000272011137 385424933 /nfs/dbraw/zinc/42/49/33/385424933.db2.gz KMMOZDQYHRUAML-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000283293993 385453355 /nfs/dbraw/zinc/45/33/55/385453355.db2.gz YCVRJEZRCZNGDU-YPMHNXCESA-N 1 1 295.358 2.648 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000283386161 385461001 /nfs/dbraw/zinc/46/10/01/385461001.db2.gz DOILZIMWAVIJBS-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC000272262125 385492015 /nfs/dbraw/zinc/49/20/15/385492015.db2.gz BUAIHJLMYVFXBI-STQMWFEESA-N 1 1 278.352 2.669 20 5 CFBDMO CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272540597 385560685 /nfs/dbraw/zinc/56/06/85/385560685.db2.gz PBCFVYHAVSUHLJ-AWEZNQCLSA-N 1 1 288.351 2.807 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000272597312 385572170 /nfs/dbraw/zinc/57/21/70/385572170.db2.gz UOBTWGWMIKLMJU-GOEBONIOSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272748161 385602694 /nfs/dbraw/zinc/60/26/94/385602694.db2.gz DRCPJLNSCHUNTO-LBPRGKRZSA-N 1 1 275.352 2.966 20 5 CFBDMO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000286508359 385636943 /nfs/dbraw/zinc/63/69/43/385636943.db2.gz WXUYZISHMJVZEN-YIONKMFJSA-N 1 1 289.379 2.965 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276690668 386016396 /nfs/dbraw/zinc/01/63/96/386016396.db2.gz WFCRDWVAAZFMAG-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276916897 386079250 /nfs/dbraw/zinc/07/92/50/386079250.db2.gz KBJMPDWMNFSGEV-LLVKDONJSA-N 1 1 299.330 2.815 20 5 CFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276934655 386085069 /nfs/dbraw/zinc/08/50/69/386085069.db2.gz RKFVHTXFTJZFER-LLVKDONJSA-N 1 1 264.325 2.978 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCCCF)C2)nc1 ZINC000341908858 130121050 /nfs/dbraw/zinc/12/10/50/130121050.db2.gz GCIGCEMITMXZNO-LBPRGKRZSA-N 1 1 296.346 2.616 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342008566 130195748 /nfs/dbraw/zinc/19/57/48/130195748.db2.gz BMEZJDJDAPLMIA-CQSZACIVSA-N 1 1 278.352 2.722 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342032561 130247452 /nfs/dbraw/zinc/24/74/52/130247452.db2.gz MPONQCPOQFVRKO-AWEZNQCLSA-N 1 1 278.352 2.722 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344577 131115121 /nfs/dbraw/zinc/11/51/21/131115121.db2.gz LTUUSSNXXIEVOH-WOPDTQHZSA-N 1 1 291.351 2.652 20 5 CFBDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376482 131120665 /nfs/dbraw/zinc/12/06/65/131120665.db2.gz KKBHGOHJJUPVDV-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376482 131120667 /nfs/dbraw/zinc/12/06/67/131120667.db2.gz KKBHGOHJJUPVDV-CHWSQXEVSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268535245 132023264 /nfs/dbraw/zinc/02/32/64/132023264.db2.gz YBLOZYNJNPEWBH-CYBMUJFWSA-N 1 1 292.383 2.688 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cncs1 ZINC000268901342 132085103 /nfs/dbraw/zinc/08/51/03/132085103.db2.gz MICMIGMPKREUPQ-SECBINFHSA-N 1 1 293.348 2.911 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311255 393625829 /nfs/dbraw/zinc/62/58/29/393625829.db2.gz YJYCWXRORPYFQL-IAQYHMDHSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311255 393625834 /nfs/dbraw/zinc/62/58/34/393625834.db2.gz YJYCWXRORPYFQL-IAQYHMDHSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311253 393625932 /nfs/dbraw/zinc/62/59/32/393625932.db2.gz YJYCWXRORPYFQL-ABAIWWIYSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311253 393625937 /nfs/dbraw/zinc/62/59/37/393625937.db2.gz YJYCWXRORPYFQL-ABAIWWIYSA-N 1 1 276.336 2.520 20 5 CFBDMO CCOc1cc(NCC[N@@H+](CC)C2CC2)ccc1[N+](=O)[O-] ZINC000080984601 393730327 /nfs/dbraw/zinc/73/03/27/393730327.db2.gz KPEOTARAHDESFN-UHFFFAOYSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000112209040 393889904 /nfs/dbraw/zinc/88/99/04/393889904.db2.gz DVADYBYKXUKKOC-LBPRGKRZSA-N 1 1 275.352 2.799 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002997 393912970 /nfs/dbraw/zinc/91/29/70/393912970.db2.gz MDFXCFKZXDBKRZ-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002997 393912971 /nfs/dbraw/zinc/91/29/71/393912971.db2.gz MDFXCFKZXDBKRZ-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000470175821 393898568 /nfs/dbraw/zinc/89/85/68/393898568.db2.gz SQHVQZYOUBWYEB-LVRJJXTDSA-N 1 1 290.363 2.701 20 5 CFBDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246212333 393855228 /nfs/dbraw/zinc/85/52/28/393855228.db2.gz KKMBZLGXJGIBGT-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429266733 393949586 /nfs/dbraw/zinc/94/95/86/393949586.db2.gz VMYBRVMLECLUHF-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)OC)C(C)C ZINC000430229035 393970501 /nfs/dbraw/zinc/97/05/01/393970501.db2.gz UKARKYAZPWGHOJ-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430259211 393974320 /nfs/dbraw/zinc/97/43/20/393974320.db2.gz DYBXIQVHFCWCFZ-LBPRGKRZSA-N 1 1 276.336 2.872 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270108976 394010001 /nfs/dbraw/zinc/01/00/01/394010001.db2.gz MHOWMCFZOQLEAK-LALPHHSUSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125773325 394013856 /nfs/dbraw/zinc/01/38/56/394013856.db2.gz PYHYUXAVLVQBOU-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO COc1cc(C[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])cc1OC ZINC000437345256 394053935 /nfs/dbraw/zinc/05/39/35/394053935.db2.gz IDILJKMITYGGMN-UHFFFAOYSA-N 1 1 292.335 2.764 20 5 CFBDMO COc1cc(C[N@H+]2CCC=C(C)C2)c([N+](=O)[O-])cc1OC ZINC000437345256 394053936 /nfs/dbraw/zinc/05/39/36/394053936.db2.gz IDILJKMITYGGMN-UHFFFAOYSA-N 1 1 292.335 2.764 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000438345689 394079163 /nfs/dbraw/zinc/07/91/63/394079163.db2.gz AHENWOIQRCFPPG-WOPDTQHZSA-N 1 1 264.325 2.593 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000438345689 394079165 /nfs/dbraw/zinc/07/91/65/394079165.db2.gz AHENWOIQRCFPPG-WOPDTQHZSA-N 1 1 264.325 2.593 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357237348 394085340 /nfs/dbraw/zinc/08/53/40/394085340.db2.gz LFUCGLAGPCMQDR-LLVKDONJSA-N 1 1 292.383 2.705 20 5 CFBDMO CSCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439465799 394116518 /nfs/dbraw/zinc/11/65/18/394116518.db2.gz HBFBEZOJEOFMGR-UHFFFAOYSA-N 1 1 294.380 2.656 20 5 CFBDMO CSCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439465799 394116521 /nfs/dbraw/zinc/11/65/21/394116521.db2.gz HBFBEZOJEOFMGR-UHFFFAOYSA-N 1 1 294.380 2.656 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439779216 394130376 /nfs/dbraw/zinc/13/03/76/394130376.db2.gz CNVRESRGGSNOLH-GHGZQGFNSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000420957734 394140112 /nfs/dbraw/zinc/14/01/12/394140112.db2.gz OSWWHNXIEVHSRM-HUUCEWRRSA-N 1 1 278.352 2.984 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286027772 394181315 /nfs/dbraw/zinc/18/13/15/394181315.db2.gz AWKMNEWFRRVGKL-UHFFFAOYSA-N 1 1 278.287 2.741 20 5 CFBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084560 394145367 /nfs/dbraw/zinc/14/53/67/394145367.db2.gz UBLUXAPXSQQJGT-GHMZBOCLSA-N 1 1 281.331 2.571 20 5 CFBDMO CCC[C@@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000444759559 394146437 /nfs/dbraw/zinc/14/64/37/394146437.db2.gz GNKURDCDSVIVDN-INIZCTEOSA-N 1 1 292.379 2.764 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420995147 394149291 /nfs/dbraw/zinc/14/92/91/394149291.db2.gz DESJMKCGDCLOHI-ZFWWWQNUSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCN1C ZINC000420995147 394149295 /nfs/dbraw/zinc/14/92/95/394149295.db2.gz DESJMKCGDCLOHI-ZFWWWQNUSA-N 1 1 291.395 2.990 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C ZINC000420995147 394149297 /nfs/dbraw/zinc/14/92/97/394149297.db2.gz DESJMKCGDCLOHI-ZFWWWQNUSA-N 1 1 291.395 2.990 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421005902 394154560 /nfs/dbraw/zinc/15/45/60/394154560.db2.gz AQQUEKCDPFOXBD-LBPRGKRZSA-N 1 1 296.342 2.718 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421366807 394204156 /nfs/dbraw/zinc/20/41/56/394204156.db2.gz VTJRGTJISFICHP-GNXSNYGWSA-N 1 1 290.363 2.558 20 5 CFBDMO CCOCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219855 394212916 /nfs/dbraw/zinc/21/29/16/394212916.db2.gz VCUCYBKZJGPLNK-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO COCCOCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000289134287 394216146 /nfs/dbraw/zinc/21/61/46/394216146.db2.gz YCIXDSBCUCBLEP-ZDUSSCGKSA-N 1 1 296.367 2.559 20 5 CFBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135303625 394216612 /nfs/dbraw/zinc/21/66/12/394216612.db2.gz BEUYKTSCNNDCSY-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083156 394239686 /nfs/dbraw/zinc/23/96/86/394239686.db2.gz JPDBVAIODSKWIH-QWHCGFSZSA-N 1 1 293.342 2.797 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000286090044 394190373 /nfs/dbraw/zinc/19/03/73/394190373.db2.gz DJLRIWZPTYRBSC-UHFFFAOYSA-N 1 1 292.314 2.765 20 5 CFBDMO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423218622 394273474 /nfs/dbraw/zinc/27/34/74/394273474.db2.gz SCVZWSGULLVIBF-SGMGOOAPSA-N 1 1 277.368 2.634 20 5 CFBDMO Cc1c([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175889 394355114 /nfs/dbraw/zinc/35/51/14/394355114.db2.gz GCAJITAUAGNHOW-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175889 394355116 /nfs/dbraw/zinc/35/51/16/394355116.db2.gz GCAJITAUAGNHOW-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000158175889 394355118 /nfs/dbraw/zinc/35/51/18/394355118.db2.gz GCAJITAUAGNHOW-KBPBESRZSA-N 1 1 291.395 2.896 20 5 CFBDMO CCc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453371561 394391976 /nfs/dbraw/zinc/39/19/76/394391976.db2.gz NQHZVCYIISMTAM-JTQLQIEISA-N 1 1 275.308 2.996 20 5 CFBDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451287503 394373465 /nfs/dbraw/zinc/37/34/65/394373465.db2.gz GDTKLAKHXYUDJR-CQSZACIVSA-N 1 1 280.372 2.729 20 5 CFBDMO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036188 394641198 /nfs/dbraw/zinc/64/11/98/394641198.db2.gz CIVIMQWFNDDKGY-BXUZGUMPSA-N 1 1 275.352 2.798 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000542931076 394718763 /nfs/dbraw/zinc/71/87/63/394718763.db2.gz DXPUODUCDQPCQN-UHFFFAOYSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](CCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355060823 154901956 /nfs/dbraw/zinc/90/19/56/154901956.db2.gz OCVJMKIBRZTYQL-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362955268 156124879 /nfs/dbraw/zinc/12/48/79/156124879.db2.gz PVEHFEHGDNSJSM-GFCCVEGCSA-N 1 1 280.372 2.873 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363907733 156204671 /nfs/dbraw/zinc/20/46/71/156204671.db2.gz OSYABUSWPGQLIN-UHFFFAOYSA-N 1 1 276.336 2.597 20 5 CFBDMO Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000374347086 157103947 /nfs/dbraw/zinc/10/39/47/157103947.db2.gz AVZXVZHAGJRZCI-GFCCVEGCSA-N 1 1 286.335 2.631 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374400083 157108841 /nfs/dbraw/zinc/10/88/41/157108841.db2.gz OPKHIXLLMFLMIG-VXGBXAGGSA-N 1 1 294.326 2.592 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CC2)C1 ZINC000408173879 157383723 /nfs/dbraw/zinc/38/37/23/157383723.db2.gz DXKAVLIUGOKDRJ-LBPRGKRZSA-N 1 1 276.336 2.768 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344416670 162039514 /nfs/dbraw/zinc/03/95/14/162039514.db2.gz JLYZVSGCSYSCLB-TXEJJXNPSA-N 1 1 278.356 2.665 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430346 162041717 /nfs/dbraw/zinc/04/17/17/162041717.db2.gz JROLOXXITBNZMC-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836285 163023920 /nfs/dbraw/zinc/02/39/20/163023920.db2.gz RMGWEBMPJBRUDH-JSGCOSHPSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836285 163023922 /nfs/dbraw/zinc/02/39/22/163023922.db2.gz RMGWEBMPJBRUDH-JSGCOSHPSA-N 1 1 278.352 2.903 20 5 CFBDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000352776316 163232861 /nfs/dbraw/zinc/23/28/61/163232861.db2.gz BSMSYHXHCQUFOH-NSHDSACASA-N 1 1 282.365 2.541 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000353131320 163313857 /nfs/dbraw/zinc/31/38/57/163313857.db2.gz YSAGDEHDNNXASC-GFCCVEGCSA-N 1 1 283.397 2.620 20 5 CFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353131320 163313860 /nfs/dbraw/zinc/31/38/60/163313860.db2.gz YSAGDEHDNNXASC-GFCCVEGCSA-N 1 1 283.397 2.620 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCOC2)C1 ZINC000408244537 287152499 /nfs/dbraw/zinc/15/24/99/287152499.db2.gz CLEHZOZDRUZFIS-WFASDCNBSA-N 1 1 276.336 2.768 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000021061333 171297118 /nfs/dbraw/zinc/29/71/18/171297118.db2.gz WCXZDGOBADQNCS-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cs1 ZINC000284847938 196143168 /nfs/dbraw/zinc/14/31/68/196143168.db2.gz RIYUBQDNOYANAS-RYUDHWBXSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cs1 ZINC000284847938 196143170 /nfs/dbraw/zinc/14/31/70/196143170.db2.gz RIYUBQDNOYANAS-RYUDHWBXSA-N 1 1 282.365 2.800 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284932222 196160319 /nfs/dbraw/zinc/16/03/19/196160319.db2.gz WGGACUIERALFNF-CVEARBPZSA-N 1 1 290.363 2.781 20 5 CFBDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176983 173010320 /nfs/dbraw/zinc/01/03/20/173010320.db2.gz FBXHDZXBFRSXIO-SWLSCSKDSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176983 173010323 /nfs/dbraw/zinc/01/03/23/173010323.db2.gz FBXHDZXBFRSXIO-SWLSCSKDSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000038028738 174017927 /nfs/dbraw/zinc/01/79/27/174017927.db2.gz ODUZZSNGFBRPRV-ZDUSSCGKSA-N 1 1 277.368 2.559 20 5 CFBDMO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000038028741 174018305 /nfs/dbraw/zinc/01/83/05/174018305.db2.gz VUXWVOWCRVOHFS-CYBMUJFWSA-N 1 1 277.368 2.559 20 5 CFBDMO COc1cc(C[N@@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000179797774 260070909 /nfs/dbraw/zinc/07/09/09/260070909.db2.gz GGMJYXFTMHJRLY-UHFFFAOYSA-N 1 1 294.351 2.986 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000223247880 270255676 /nfs/dbraw/zinc/25/56/76/270255676.db2.gz JXPJSAKIQNZSSG-RYUDHWBXSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000093232582 263309705 /nfs/dbraw/zinc/30/97/05/263309705.db2.gz JXPJSAKIQNZSSG-VXGBXAGGSA-N 1 1 263.341 2.798 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000827720306 782041387 /nfs/dbraw/zinc/04/13/87/782041387.db2.gz CAGPNZQLSVCNQP-GXTWGEPZSA-N 1 1 289.335 2.550 20 5 CFBDMO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000394732831 270309777 /nfs/dbraw/zinc/30/97/77/270309777.db2.gz TVBYEFPZWAAQTQ-UHFFFAOYSA-N 1 1 277.349 2.958 20 5 CFBDMO CC(C)[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432323481 273533141 /nfs/dbraw/zinc/53/31/41/273533141.db2.gz QRJRDBDLGIZEDK-UHFFFAOYSA-N 1 1 283.759 2.779 20 5 CFBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000076940642 274024831 /nfs/dbraw/zinc/02/48/31/274024831.db2.gz PVXFHMPDWRMXPM-UHFFFAOYSA-N 1 1 280.368 2.742 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000282431430 274080580 /nfs/dbraw/zinc/08/05/80/274080580.db2.gz RJIUGQDTUSVCOT-FZMZJTMJSA-N 1 1 278.352 2.903 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000300409333 275033719 /nfs/dbraw/zinc/03/37/19/275033719.db2.gz XAZZAVIHOIAKSK-ZJUUUORDSA-N 1 1 297.305 2.912 20 5 CFBDMO CCn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291676278 276714196 /nfs/dbraw/zinc/71/41/96/276714196.db2.gz HDTJEBOMFRCBFL-UHFFFAOYSA-N 1 1 288.351 2.836 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000286316193 277069659 /nfs/dbraw/zinc/06/96/59/277069659.db2.gz UJMPNCBNNMFHSL-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340153 277144928 /nfs/dbraw/zinc/14/49/28/277144928.db2.gz KXVNYOAEXWTQBC-IAQYHMDHSA-N 1 1 292.335 2.541 20 5 CFBDMO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000130822979 278035258 /nfs/dbraw/zinc/03/52/58/278035258.db2.gz UMVQFCZVGVKPHV-LLVKDONJSA-N 1 1 266.341 2.531 20 5 CFBDMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423433431 278230394 /nfs/dbraw/zinc/23/03/94/278230394.db2.gz CJIATJDVNQFWAC-PWNZVWSESA-N 1 1 291.395 2.631 20 5 CFBDMO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423372124 278282014 /nfs/dbraw/zinc/28/20/14/278282014.db2.gz GUICYSDYIZOIET-DRZSPHRISA-N 1 1 263.341 2.515 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291692255 278313511 /nfs/dbraw/zinc/31/35/11/278313511.db2.gz HNOWDZLDWDXJPC-CHWSQXEVSA-N 1 1 286.335 2.799 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268881281 281013520 /nfs/dbraw/zinc/01/35/20/281013520.db2.gz WLGATTUVSRLZAM-ZIAGYGMSSA-N 1 1 289.379 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279776746 281022839 /nfs/dbraw/zinc/02/28/39/281022839.db2.gz NKRYUNBABXBJIN-FZMZJTMJSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305672120 281154374 /nfs/dbraw/zinc/15/43/74/281154374.db2.gz XMNZKKZYUMIGMW-MBNYWOFBSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871792 281288428 /nfs/dbraw/zinc/28/84/28/281288428.db2.gz DHLSLPDQNMRTLH-DOMZBBRYSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871792 281288430 /nfs/dbraw/zinc/28/84/30/281288430.db2.gz DHLSLPDQNMRTLH-DOMZBBRYSA-N 1 1 291.395 2.902 20 5 CFBDMO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563365116 290139356 /nfs/dbraw/zinc/13/93/56/290139356.db2.gz BSAQRTIWJJLJRY-UHFFFAOYSA-N 1 1 293.367 2.678 20 5 CFBDMO COc1ccncc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416262 290146430 /nfs/dbraw/zinc/14/64/30/290146430.db2.gz HOKUVCJQDPOOGC-CQSZACIVSA-N 1 1 299.330 2.776 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000563955366 290186388 /nfs/dbraw/zinc/18/63/88/290186388.db2.gz GSLWFLVZEHUNHA-UHFFFAOYSA-N 1 1 279.340 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000364300891 290233591 /nfs/dbraw/zinc/23/35/91/290233591.db2.gz HCDQRWFVSWHULY-IINYFYTJSA-N 1 1 295.770 2.779 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nccs1 ZINC000565217448 290283508 /nfs/dbraw/zinc/28/35/08/290283508.db2.gz LNOZHUDZCMNVKV-NSHDSACASA-N 1 1 275.333 2.828 20 5 CFBDMO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nc(C)n1 ZINC000566475683 290391116 /nfs/dbraw/zinc/39/11/16/290391116.db2.gz OMBMYGUQXIEQMK-OAHLLOKOSA-N 1 1 298.346 2.779 20 5 CFBDMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000349193900 297079003 /nfs/dbraw/zinc/07/90/03/297079003.db2.gz WXDQIGVGCNMSSZ-ZJUUUORDSA-N 1 1 283.759 2.777 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000166261628 322386250 /nfs/dbraw/zinc/38/62/50/322386250.db2.gz ZQFFMRFGHYXOFA-MLGOLLRUSA-N 1 1 291.395 2.894 20 5 CFBDMO C[NH+](C)[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735763 325230578 /nfs/dbraw/zinc/23/05/78/325230578.db2.gz NNVICQPJCWUOPI-HOCLYGCPSA-N 1 1 289.379 2.512 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000221678205 519619362 /nfs/dbraw/zinc/61/93/62/519619362.db2.gz YCIDFQLJDLZWEA-UHFFFAOYSA-N 1 1 269.320 2.876 20 5 CFBDMO C[C@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928739 533833899 /nfs/dbraw/zinc/83/38/99/533833899.db2.gz ZCTRYHXVMZMNKV-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000221678839 519619712 /nfs/dbraw/zinc/61/97/12/519619712.db2.gz KCAQZDQGQQSSBV-UHFFFAOYSA-N 1 1 251.330 2.737 20 5 CFBDMO CC(C)CCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364838007 519638251 /nfs/dbraw/zinc/63/82/51/519638251.db2.gz CCGZPESGULJSCU-CYBMUJFWSA-N 1 1 280.372 2.864 20 5 CFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157502018 519651703 /nfs/dbraw/zinc/65/17/03/519651703.db2.gz XKMOXOXKDIZNSV-UHFFFAOYSA-N 1 1 288.351 2.702 20 5 CFBDMO CC[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000311686288 521084600 /nfs/dbraw/zinc/08/46/00/521084600.db2.gz NWVMYSHLJKPDRH-UHFFFAOYSA-N 1 1 267.304 2.630 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000192827966 521296406 /nfs/dbraw/zinc/29/64/06/521296406.db2.gz XGAOPYDCWLCMAW-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000361589672 521354637 /nfs/dbraw/zinc/35/46/37/521354637.db2.gz QPWKSHOWCXTOGS-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171678906 521669217 /nfs/dbraw/zinc/66/92/17/521669217.db2.gz ZMRMLJBGYPXHRR-UHFFFAOYSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000339253310 522681244 /nfs/dbraw/zinc/68/12/44/522681244.db2.gz KLSXEQLPHIEJBE-UHFFFAOYSA-N 1 1 293.367 2.901 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363672787 523596763 /nfs/dbraw/zinc/59/67/63/523596763.db2.gz OGGQNSRZPUVTGW-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361001083 523973577 /nfs/dbraw/zinc/97/35/77/523973577.db2.gz YLDWNNXZNKOFMQ-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000068913199 524756462 /nfs/dbraw/zinc/75/64/62/524756462.db2.gz CGJVKNSJDWQIPN-VIFPVBQESA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361155517 524918710 /nfs/dbraw/zinc/91/87/10/524918710.db2.gz UJNUEFITCQXQMN-JFDUVMPXSA-N 1 1 289.379 2.632 20 5 CFBDMO Cc1cc(NC[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000311764476 525278112 /nfs/dbraw/zinc/27/81/12/525278112.db2.gz GKCJQRSDJATNEH-SNVBAGLBSA-N 1 1 267.304 2.548 20 5 CFBDMO C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000230376034 525308802 /nfs/dbraw/zinc/30/88/02/525308802.db2.gz XBNICIOOLYSARC-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000230376034 525308807 /nfs/dbraw/zinc/30/88/07/525308807.db2.gz XBNICIOOLYSARC-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361158037 525653282 /nfs/dbraw/zinc/65/32/82/525653282.db2.gz YVLYHKRQZHFTMU-JFDUVMPXSA-N 1 1 289.379 2.632 20 5 CFBDMO Cc1c([C@H](C)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000166262469 525918630 /nfs/dbraw/zinc/91/86/30/525918630.db2.gz VFSKQLQJCDGFIG-LRDDRELGSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000084726465 526061485 /nfs/dbraw/zinc/06/14/85/526061485.db2.gz CINUTHVUFSCLBY-LLVKDONJSA-N 1 1 261.325 2.552 20 5 CFBDMO Cc1nocc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000339292416 526689831 /nfs/dbraw/zinc/68/98/31/526689831.db2.gz AUVJJYBZOAMKML-UHFFFAOYSA-N 1 1 275.308 2.916 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H](CO)C2)ccc1Cl ZINC000360876204 527329548 /nfs/dbraw/zinc/32/95/48/527329548.db2.gz ZDBAPKYZHZVVKI-LBPRGKRZSA-N 1 1 298.770 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000227378222 527348678 /nfs/dbraw/zinc/34/86/78/527348678.db2.gz YLSGSGQUKNXFTN-HOCLYGCPSA-N 1 1 290.363 2.722 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361637860 527400641 /nfs/dbraw/zinc/40/06/41/527400641.db2.gz VUYRBWUPYHKRLK-CYBMUJFWSA-N 1 1 298.346 2.764 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414530030 527528821 /nfs/dbraw/zinc/52/88/21/527528821.db2.gz WNGDSXYCBRDPOP-PPJWJQMQSA-N 1 1 290.363 2.701 20 5 CFBDMO CCC[C@H](NC[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423255487 528222834 /nfs/dbraw/zinc/22/28/34/528222834.db2.gz AFUBCZGRNWKQKR-WFASDCNBSA-N 1 1 279.384 2.881 20 5 CFBDMO CCCNCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414867832 528510190 /nfs/dbraw/zinc/51/01/90/528510190.db2.gz JKZGYSSWJQSKKZ-ZDUSSCGKSA-N 1 1 279.384 2.505 20 5 CFBDMO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000116279092 528939593 /nfs/dbraw/zinc/93/95/93/528939593.db2.gz SQZUJNVUUJKPHW-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO CC(C)C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000746055755 574132247 /nfs/dbraw/zinc/13/22/47/574132247.db2.gz DJKRUVFPURVNCU-UHFFFAOYSA-N 1 1 266.345 2.649 20 5 CFBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000738052023 574156443 /nfs/dbraw/zinc/15/64/43/574156443.db2.gz DRJREXYAFITVAK-UHFFFAOYSA-N 1 1 274.324 2.776 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732567774 574161213 /nfs/dbraw/zinc/16/12/13/574161213.db2.gz BGAFEBQWMNOQNH-UHFFFAOYSA-N 1 1 277.368 2.905 20 5 CFBDMO CC1=CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000755771462 574186300 /nfs/dbraw/zinc/18/63/00/574186300.db2.gz TYFGEXIAJZYMPH-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CC1=CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000755771462 574186301 /nfs/dbraw/zinc/18/63/01/574186301.db2.gz TYFGEXIAJZYMPH-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CCCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747827062 574214835 /nfs/dbraw/zinc/21/48/35/574214835.db2.gz ZNKDFVMFWSNMLH-UHFFFAOYSA-N 1 1 269.276 2.923 20 5 CFBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCC1 ZINC000742172871 574317174 /nfs/dbraw/zinc/31/71/74/574317174.db2.gz INNZKXVRGCCTBC-UHFFFAOYSA-N 1 1 286.335 2.900 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000891863077 617791118 /nfs/dbraw/zinc/79/11/18/617791118.db2.gz ULOVEZYERZMWBB-GHMZBOCLSA-N 1 1 294.351 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2CCCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000934300918 617992076 /nfs/dbraw/zinc/99/20/76/617992076.db2.gz CMJLQVACXVMYMY-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(C[N@@H+]2CC[C@H](OCC)C2)ccc1[N+](=O)[O-] ZINC000932972625 618129936 /nfs/dbraw/zinc/12/99/36/618129936.db2.gz GFKAPNPDXZPFGD-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367956 618210818 /nfs/dbraw/zinc/21/08/18/618210818.db2.gz CGKKDSDOURIYTQ-INIZCTEOSA-N 1 1 299.330 2.777 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893354343 618459314 /nfs/dbraw/zinc/45/93/14/618459314.db2.gz JGMSPNVVPJWZQB-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@@H]1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893354343 618459320 /nfs/dbraw/zinc/45/93/20/618459320.db2.gz JGMSPNVVPJWZQB-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000747220917 618472307 /nfs/dbraw/zinc/47/23/07/618472307.db2.gz SCTOWQRIGCAXBX-UHFFFAOYSA-N 1 1 299.346 2.886 20 5 CFBDMO CC1=NO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000895306349 618522424 /nfs/dbraw/zinc/52/24/24/618522424.db2.gz DQXGOHBJGNMCKR-LLVKDONJSA-N 1 1 283.715 2.503 20 5 CFBDMO Cc1[nH+]ccn1CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000312105003 618875752 /nfs/dbraw/zinc/87/57/52/618875752.db2.gz JQSSGLGYPYWEOW-UHFFFAOYSA-N 1 1 260.297 2.520 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895565580 619559414 /nfs/dbraw/zinc/55/94/14/619559414.db2.gz ACXHJOHBQFEFBV-ONGXEEELSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895565580 619559416 /nfs/dbraw/zinc/55/94/16/619559416.db2.gz ACXHJOHBQFEFBV-ONGXEEELSA-N 1 1 299.421 2.648 20 5 CFBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1[N+](=O)[O-] ZINC000895747849 619595709 /nfs/dbraw/zinc/59/57/09/619595709.db2.gz YQZOWQCOFYDOFF-WDEREUQCSA-N 1 1 298.314 2.679 20 5 CFBDMO C[C@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895735054 619596593 /nfs/dbraw/zinc/59/65/93/619596593.db2.gz CGIAVAADMWBGPB-CMPLNLGQSA-N 1 1 286.335 2.648 20 5 CFBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])s2)[nH+]c1 ZINC000896461534 619743031 /nfs/dbraw/zinc/74/30/31/619743031.db2.gz TXHVDDBNGNYPJU-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO CN(CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH+](C)C ZINC000898308077 620370259 /nfs/dbraw/zinc/37/02/59/620370259.db2.gz NDGRSXUMPBTCEP-UHFFFAOYSA-N 1 1 293.411 2.657 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000901519529 620854760 /nfs/dbraw/zinc/85/47/60/620854760.db2.gz DQPQQZALDUHFAA-ZDUSSCGKSA-N 1 1 295.314 2.545 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000901519529 620854761 /nfs/dbraw/zinc/85/47/61/620854761.db2.gz DQPQQZALDUHFAA-ZDUSSCGKSA-N 1 1 295.314 2.545 20 5 CFBDMO Cc1c(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000902375004 621046425 /nfs/dbraw/zinc/04/64/25/621046425.db2.gz FRNDOMLCWNQVAA-CQSZACIVSA-N 1 1 291.395 2.771 20 5 CFBDMO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccccc1[N+](=O)[O-] ZINC000902430069 621076716 /nfs/dbraw/zinc/07/67/16/621076716.db2.gz OAXLHTRSNKDHGR-SNPRPXQTSA-N 1 1 291.395 2.948 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287315 621318629 /nfs/dbraw/zinc/31/86/29/621318629.db2.gz NSWIAUXZTRSCDL-BZPMIXESSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287315 621318633 /nfs/dbraw/zinc/31/86/33/621318633.db2.gz NSWIAUXZTRSCDL-BZPMIXESSA-N 1 1 277.368 2.728 20 5 CFBDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000905032217 621683626 /nfs/dbraw/zinc/68/36/26/621683626.db2.gz BBMYXEOMAMNUHE-LBPRGKRZSA-N 1 1 291.351 2.655 20 5 CFBDMO O=[N+]([O-])CC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000905255460 621728141 /nfs/dbraw/zinc/72/81/41/621728141.db2.gz LSOWRNSYOGXBST-UHFFFAOYSA-N 1 1 297.767 2.830 20 5 CFBDMO CCC[C@@]1(C)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000173537455 623353513 /nfs/dbraw/zinc/35/35/13/623353513.db2.gz XZXVVPRKIAIJGK-ZDUSSCGKSA-N 1 1 266.345 2.651 20 5 CFBDMO CCC[C@@]1(C)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000173537455 623353516 /nfs/dbraw/zinc/35/35/16/623353516.db2.gz XZXVVPRKIAIJGK-ZDUSSCGKSA-N 1 1 266.345 2.651 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCn2ccnc21 ZINC000824522581 623515551 /nfs/dbraw/zinc/51/55/51/623515551.db2.gz XEKLMFUEWAYVKO-MASHWEEQSA-N 1 1 284.319 2.539 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086279 623708319 /nfs/dbraw/zinc/70/83/19/623708319.db2.gz NMTUZZKSWVETPK-PELKAZGASA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086279 623708321 /nfs/dbraw/zinc/70/83/21/623708321.db2.gz NMTUZZKSWVETPK-PELKAZGASA-N 1 1 252.701 2.842 20 5 CFBDMO CCCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000914783721 623936948 /nfs/dbraw/zinc/93/69/48/623936948.db2.gz CMJRNQQVPLQDCL-UHFFFAOYSA-N 1 1 266.345 2.630 20 5 CFBDMO CCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000914783721 623936950 /nfs/dbraw/zinc/93/69/50/623936950.db2.gz CMJRNQQVPLQDCL-UHFFFAOYSA-N 1 1 266.345 2.630 20 5 CFBDMO C[N@H+]1CCC[C@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC000917350640 624334602 /nfs/dbraw/zinc/33/46/02/624334602.db2.gz JIMACPPFAXRICS-ZDUSSCGKSA-N 1 1 266.366 2.922 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000917432301 624343731 /nfs/dbraw/zinc/34/37/31/624343731.db2.gz CDQHHAKPTHGRBR-FRRDWIJNSA-N 1 1 278.356 2.649 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000828967507 624344120 /nfs/dbraw/zinc/34/41/20/624344120.db2.gz QDCXDMNOXVFXNC-SNVBAGLBSA-N 1 1 298.364 2.688 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829572227 624456870 /nfs/dbraw/zinc/45/68/70/624456870.db2.gz HLTOUXWCRWTIGU-CQSZACIVSA-N 1 1 263.341 2.514 20 5 CFBDMO C[N@@H+](CCC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829937136 624585418 /nfs/dbraw/zinc/58/54/18/624585418.db2.gz HQIJXABMIURZLM-AWEZNQCLSA-N 1 1 280.368 2.996 20 5 CFBDMO CCC1CCC([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000921045348 624802177 /nfs/dbraw/zinc/80/21/77/624802177.db2.gz BHBRZANAPVOASM-UHFFFAOYSA-N 1 1 266.345 2.649 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000831527672 625041877 /nfs/dbraw/zinc/04/18/77/625041877.db2.gz GRRHHZPBEXGWEA-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc31)CCC2 ZINC000834831443 625891379 /nfs/dbraw/zinc/89/13/79/625891379.db2.gz JMBAKXPGQOPLQG-HUUCEWRRSA-N 1 1 298.346 2.903 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000084439681 626015822 /nfs/dbraw/zinc/01/58/22/626015822.db2.gz QCEGDHQQJIRUDP-UHFFFAOYSA-N 1 1 277.711 2.933 20 5 CFBDMO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560837 626308749 /nfs/dbraw/zinc/30/87/49/626308749.db2.gz WNXIAQKQPUVEJA-IUODEOHRSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560837 626308751 /nfs/dbraw/zinc/30/87/51/626308751.db2.gz WNXIAQKQPUVEJA-IUODEOHRSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)O1 ZINC000851735928 634500784 /nfs/dbraw/zinc/50/07/84/634500784.db2.gz LAWOLAXDJRPYPR-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCCCO)C2CC2)c1 ZINC000172585694 626414942 /nfs/dbraw/zinc/41/49/42/626414942.db2.gz ULXQXGXLEPGXII-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCCCO)C2CC2)c1 ZINC000172585694 626414945 /nfs/dbraw/zinc/41/49/45/626414945.db2.gz ULXQXGXLEPGXII-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522687 626478690 /nfs/dbraw/zinc/47/86/90/626478690.db2.gz YQVYWRALKAVFIR-HZSPNIEDSA-N 1 1 289.379 2.506 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000839681192 626552252 /nfs/dbraw/zinc/55/22/52/626552252.db2.gz QNGRYXHYCGOCIH-GOEBONIOSA-N 1 1 290.363 2.750 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761094544 626802279 /nfs/dbraw/zinc/80/22/79/626802279.db2.gz PMAIZWNUEPMWOJ-SMDDNHRTSA-N 1 1 276.336 2.976 20 5 CFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761094544 626802282 /nfs/dbraw/zinc/80/22/82/626802282.db2.gz PMAIZWNUEPMWOJ-SMDDNHRTSA-N 1 1 276.336 2.976 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000761521017 626842344 /nfs/dbraw/zinc/84/23/44/626842344.db2.gz SNPFRXQIJHFKLM-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000761521017 626842348 /nfs/dbraw/zinc/84/23/48/626842348.db2.gz SNPFRXQIJHFKLM-LLVKDONJSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](C4CC4)C3)c2c1 ZINC000763334330 626980667 /nfs/dbraw/zinc/98/06/67/626980667.db2.gz VZAGVYZQQOEPHA-CYBMUJFWSA-N 1 1 286.335 2.634 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765643669 627152741 /nfs/dbraw/zinc/15/27/41/627152741.db2.gz RDYFRJUDMVWPQO-WDEREUQCSA-N 1 1 281.331 2.653 20 5 CFBDMO Cc1nn(C[NH+]2CC(C)(C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000767512553 627256842 /nfs/dbraw/zinc/25/68/42/627256842.db2.gz ALJNJWPRCCGCKU-UHFFFAOYSA-N 1 1 280.372 2.815 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)c1 ZINC000771066695 627574525 /nfs/dbraw/zinc/57/45/25/627574525.db2.gz CPYHNIIEQZCORH-UHFFFAOYSA-N 1 1 299.346 2.885 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458303 627605974 /nfs/dbraw/zinc/60/59/74/627605974.db2.gz GIFFXRAZRFHUGW-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581664 628160412 /nfs/dbraw/zinc/16/04/12/628160412.db2.gz GPIIVKTZPOAECQ-CQSZACIVSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589173 628162019 /nfs/dbraw/zinc/16/20/19/628162019.db2.gz PVSFPUWAZUYZHE-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599226 628163761 /nfs/dbraw/zinc/16/37/61/628163761.db2.gz XODGVYFLMKFKGC-KYOSRNDESA-N 1 1 278.352 2.891 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776598572 628163893 /nfs/dbraw/zinc/16/38/93/628163893.db2.gz RNJVUYKIGQOCLL-TYNCELHUSA-N 1 1 278.352 2.606 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957824 628267007 /nfs/dbraw/zinc/26/70/07/628267007.db2.gz WYVRWHCICDTILS-GFCCVEGCSA-N 1 1 286.335 2.758 20 5 CFBDMO CC(C)CCC(N)=[NH+]OCCOc1cccc([N+](=O)[O-])c1 ZINC000782320885 628627986 /nfs/dbraw/zinc/62/79/86/628627986.db2.gz LBEONHQOBWJQPN-UHFFFAOYSA-N 1 1 295.339 2.908 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350122 628808138 /nfs/dbraw/zinc/80/81/38/628808138.db2.gz YETSUWSORWQWJJ-SWLSCSKDSA-N 1 1 292.379 2.996 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000784390502 628813675 /nfs/dbraw/zinc/81/36/75/628813675.db2.gz HLWXSAZNIAEKKM-XJKSGUPXSA-N 1 1 290.363 2.916 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514527 628823084 /nfs/dbraw/zinc/82/30/84/628823084.db2.gz XKFPOPXXXVQOIX-ZFWWWQNUSA-N 1 1 292.379 2.996 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000785736766 628909167 /nfs/dbraw/zinc/90/91/67/628909167.db2.gz XKWOCWSECROTQS-TXEJJXNPSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000785736766 628909170 /nfs/dbraw/zinc/90/91/70/628909170.db2.gz XKWOCWSECROTQS-TXEJJXNPSA-N 1 1 292.335 2.511 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791566675 629333117 /nfs/dbraw/zinc/33/31/17/629333117.db2.gz COMBVLWUJSPKHG-AOOOYVTPSA-N 1 1 295.314 2.545 20 5 CFBDMO COCC[N@H+](CCF)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852480716 634756570 /nfs/dbraw/zinc/75/65/70/634756570.db2.gz AOQWJMLSIIJPGP-LBPRGKRZSA-N 1 1 284.331 2.882 20 5 CFBDMO COCC[N@@H+](CCF)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852480716 634756572 /nfs/dbraw/zinc/75/65/72/634756572.db2.gz AOQWJMLSIIJPGP-LBPRGKRZSA-N 1 1 284.331 2.882 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccnc1F)c1cccc([N+](=O)[O-])c1 ZINC000794828736 629691082 /nfs/dbraw/zinc/69/10/82/629691082.db2.gz NMKQIPLKCXWDAE-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO Cc1nn(C[NH+]2CCC3(CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000795719268 629827064 /nfs/dbraw/zinc/82/70/64/629827064.db2.gz QCICYKSHDHSORO-UHFFFAOYSA-N 1 1 278.356 2.632 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000852518864 634770833 /nfs/dbraw/zinc/77/08/33/634770833.db2.gz QRNITNMTLOAWER-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000852518864 634770835 /nfs/dbraw/zinc/77/08/35/634770835.db2.gz QRNITNMTLOAWER-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852560532 634781056 /nfs/dbraw/zinc/78/10/56/634781056.db2.gz YMMVDDKCWLMPRZ-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852560532 634781059 /nfs/dbraw/zinc/78/10/59/634781059.db2.gz YMMVDDKCWLMPRZ-BXKDBHETSA-N 1 1 284.743 2.593 20 5 CFBDMO CSCCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000799159878 630280642 /nfs/dbraw/zinc/28/06/42/630280642.db2.gz NGSNSXBVQGPEKB-UHFFFAOYSA-N 1 1 294.380 2.587 20 5 CFBDMO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000801517567 630452493 /nfs/dbraw/zinc/45/24/93/630452493.db2.gz HYIZXCOYXAVUGY-ZDUSSCGKSA-N 1 1 295.358 2.508 20 5 CFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545218 630455806 /nfs/dbraw/zinc/45/58/06/630455806.db2.gz KXMYOXXDEYPUJC-JRPNMDOOSA-N 1 1 296.342 2.715 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811803756 631623648 /nfs/dbraw/zinc/62/36/48/631623648.db2.gz QZVWTJYCLHPKSJ-NSHDSACASA-N 1 1 293.367 2.940 20 5 CFBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000811821882 631628389 /nfs/dbraw/zinc/62/83/89/631628389.db2.gz UEZWBYGCQXPMHU-LSDHHAIUSA-N 1 1 290.363 2.749 20 5 CFBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239114 631910179 /nfs/dbraw/zinc/91/01/79/631910179.db2.gz DHLQGWFPJYOIKA-SECBINFHSA-N 1 1 288.307 2.766 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1F ZINC000817292377 632596672 /nfs/dbraw/zinc/59/66/72/632596672.db2.gz SWLYOJDHMBWEER-LBPRGKRZSA-N 1 1 294.326 2.613 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000817369077 632615686 /nfs/dbraw/zinc/61/56/86/632615686.db2.gz QIGSROOWRCGXQU-AWEZNQCLSA-N 1 1 292.383 2.878 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847025933 632891890 /nfs/dbraw/zinc/89/18/90/632891890.db2.gz KJJPYTQARZBCCW-AWEZNQCLSA-N 1 1 266.341 2.749 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000848506012 633268045 /nfs/dbraw/zinc/26/80/45/633268045.db2.gz NBMIGJNEFUUGJX-ZDUSSCGKSA-N 1 1 278.356 2.794 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000848551546 633286710 /nfs/dbraw/zinc/28/67/10/633286710.db2.gz PNXISQRMLOYJHQ-SMDDNHRTSA-N 1 1 286.335 2.977 20 5 CFBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848786265 633343566 /nfs/dbraw/zinc/34/35/66/633343566.db2.gz PXERXYGCOAVPAG-OCCSQVGLSA-N 1 1 290.367 2.606 20 5 CFBDMO Cc1nn(C[N@H+]2CCC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853588831 635043464 /nfs/dbraw/zinc/04/34/64/635043464.db2.gz HGRLWUPCLWRMOR-AWEZNQCLSA-N 1 1 292.383 2.878 20 5 CFBDMO NC(=[NH+]OCc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000853655065 635062851 /nfs/dbraw/zinc/06/28/51/635062851.db2.gz RRILVPPYDSXLGL-UHFFFAOYSA-N 1 1 281.287 2.923 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000859626656 636628447 /nfs/dbraw/zinc/62/84/47/636628447.db2.gz GJFMCSTWOUVXRQ-UHFFFAOYSA-N 1 1 277.280 2.630 20 5 CFBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)C[C@H]2C1 ZINC000865732864 638541452 /nfs/dbraw/zinc/54/14/52/638541452.db2.gz MRLJCBLOFIFHSZ-AOOOYVTPSA-N 1 1 297.305 2.530 20 5 CFBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866704697 638868381 /nfs/dbraw/zinc/86/83/81/638868381.db2.gz WTZDPGJPBOYKQN-MRXNPFEDSA-N 1 1 291.395 2.792 20 5 CFBDMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036321 641568997 /nfs/dbraw/zinc/56/89/97/641568997.db2.gz RKHBWRUDVJEPMF-NEPJUHHUSA-N 1 1 295.358 2.726 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C1CC1)[NH+](C)C ZINC000873017035 641985488 /nfs/dbraw/zinc/98/54/88/641985488.db2.gz VNNGKAKNHGKUNT-MRXNPFEDSA-N 1 1 291.395 2.641 20 5 CFBDMO CCn1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873131757 642023394 /nfs/dbraw/zinc/02/33/94/642023394.db2.gz ZPIPJYKWHCDIIW-UHFFFAOYSA-N 1 1 288.351 2.718 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877796388 643563006 /nfs/dbraw/zinc/56/30/06/643563006.db2.gz FKFOQYLTEHGORN-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877796388 643563009 /nfs/dbraw/zinc/56/30/09/643563009.db2.gz FKFOQYLTEHGORN-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)CO[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303497 643829588 /nfs/dbraw/zinc/82/95/88/643829588.db2.gz SXFPBHMNHWKDOQ-CYBMUJFWSA-N 1 1 290.363 2.768 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318288 644223344 /nfs/dbraw/zinc/22/33/44/644223344.db2.gz SKGWNGFQCKAUQH-YPMHNXCESA-N 1 1 264.325 2.594 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320672 644226452 /nfs/dbraw/zinc/22/64/52/644226452.db2.gz KSUHUPCFWKTVLP-KOLCDFICSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000879320672 644226457 /nfs/dbraw/zinc/22/64/57/644226457.db2.gz KSUHUPCFWKTVLP-KOLCDFICSA-N 1 1 270.354 2.656 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325228 644232514 /nfs/dbraw/zinc/23/25/14/644232514.db2.gz JKYSRRPPRNFVPN-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879325228 644232520 /nfs/dbraw/zinc/23/25/20/644232520.db2.gz JKYSRRPPRNFVPN-MFKMUULPSA-N 1 1 282.315 2.733 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)nc2c1 ZINC000879530175 644308723 /nfs/dbraw/zinc/30/87/23/644308723.db2.gz NTODIKMWNXXWOB-TXEJJXNPSA-N 1 1 298.346 2.869 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879559927 644319986 /nfs/dbraw/zinc/31/99/86/644319986.db2.gz TZOUCSMFXQRVSZ-QWRGUYRKSA-N 1 1 296.367 2.919 20 5 CFBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879962630 644478852 /nfs/dbraw/zinc/47/88/52/644478852.db2.gz VFZCUXNGFPQNEK-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO CCOc1cc(C[NH+]2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000880239745 644602987 /nfs/dbraw/zinc/60/29/87/644602987.db2.gz PAIPKQROQJRUBA-UHFFFAOYSA-N 1 1 282.315 2.927 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccn1 ZINC000094773237 650963050 /nfs/dbraw/zinc/96/30/50/650963050.db2.gz NGOWAGLDQXRYCO-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO CC(=O)c1c(N[C@@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000882381815 645295210 /nfs/dbraw/zinc/29/52/10/645295210.db2.gz HTHCAVQMMDNJRI-NSHDSACASA-N 1 1 293.367 2.938 20 5 CFBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000305308944 651057496 /nfs/dbraw/zinc/05/74/96/651057496.db2.gz JBCYQDSVCOSWKC-RISCZKNCSA-N 1 1 298.770 2.841 20 5 CFBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027776 646827599 /nfs/dbraw/zinc/82/75/99/646827599.db2.gz ILOQECQYJJLJGR-IUODEOHRSA-N 1 1 293.367 2.625 20 5 CFBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886027776 646827604 /nfs/dbraw/zinc/82/76/04/646827604.db2.gz ILOQECQYJJLJGR-IUODEOHRSA-N 1 1 293.367 2.625 20 5 CFBDMO COc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886104713 646874371 /nfs/dbraw/zinc/87/43/71/646874371.db2.gz IYEQSULMWGSQSH-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000886209443 646921911 /nfs/dbraw/zinc/92/19/11/646921911.db2.gz NAAIFSDUSRQPFE-ZDUSSCGKSA-N 1 1 293.367 2.769 20 5 CFBDMO C[N@@H+](CCC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886265440 646939495 /nfs/dbraw/zinc/93/94/95/646939495.db2.gz IWYDJGLBNVCDDE-UHFFFAOYSA-N 1 1 251.330 2.858 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000886636467 647080706 /nfs/dbraw/zinc/08/07/06/647080706.db2.gz OKMFKNOIHYFHQF-HZPDHXFCSA-N 1 1 290.363 2.640 20 5 CFBDMO Cc1cc(-c2noc([C@@H](C)[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092797 647921826 /nfs/dbraw/zinc/92/18/26/647921826.db2.gz JCNAJEBGXVWRNI-SECBINFHSA-N 1 1 276.296 2.576 20 5 CFBDMO Cc1ccc([C@H](C)N[C@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925575917 648224477 /nfs/dbraw/zinc/22/44/77/648224477.db2.gz JANGULHTTMMWEG-GLQYFDAESA-N 1 1 289.379 2.824 20 5 CFBDMO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)on1 ZINC000926273091 648453349 /nfs/dbraw/zinc/45/33/49/648453349.db2.gz ZIKHFHSXUYPRKB-SNVBAGLBSA-N 1 1 291.307 2.751 20 5 CFBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929370551 649040799 /nfs/dbraw/zinc/04/07/99/649040799.db2.gz ROQFDYQVNVKECF-VIFPVBQESA-N 1 1 276.258 2.975 20 5 CFBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929370551 649040802 /nfs/dbraw/zinc/04/08/02/649040802.db2.gz ROQFDYQVNVKECF-VIFPVBQESA-N 1 1 276.258 2.975 20 5 CFBDMO O=[N+]([O-])CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000929912318 649149185 /nfs/dbraw/zinc/14/91/85/649149185.db2.gz PQJOHGHCYAPHGM-UHFFFAOYSA-N 1 1 266.316 2.847 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000930084900 649180861 /nfs/dbraw/zinc/18/08/61/649180861.db2.gz CZHXIWVFBVBIFJ-LBPRGKRZSA-N 1 1 298.770 2.708 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C)CC1 ZINC000932344937 649580999 /nfs/dbraw/zinc/58/09/99/649580999.db2.gz DNILZGRKXVWEKC-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127679 649753616 /nfs/dbraw/zinc/75/36/16/649753616.db2.gz NZMAOOTXPLGFHF-ZLKJLUDKSA-N 1 1 264.325 2.765 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSC[C@H]1C ZINC000934296539 649769060 /nfs/dbraw/zinc/76/90/60/649769060.db2.gz JVKLFZYCSMHTNG-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000934338517 649776529 /nfs/dbraw/zinc/77/65/29/649776529.db2.gz WSNLSDWMKFACQQ-GWCFXTLKSA-N 1 1 291.307 2.877 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000934776581 649829998 /nfs/dbraw/zinc/82/99/98/649829998.db2.gz ZACNEYXJWMTEQH-PWSUYJOCSA-N 1 1 284.406 2.841 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000934779744 649830253 /nfs/dbraw/zinc/83/02/53/649830253.db2.gz YOALEJPXIFZCBM-OCCSQVGLSA-N 1 1 278.377 2.780 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001167406966 770432586 /nfs/dbraw/zinc/43/25/86/770432586.db2.gz YUZYDGOAZPWAMA-CYBMUJFWSA-N 1 1 294.399 2.977 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000693919470 775249777 /nfs/dbraw/zinc/24/97/77/775249777.db2.gz OXOUTJHDUBHSAK-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000340615133 775270381 /nfs/dbraw/zinc/27/03/81/775270381.db2.gz DNETWYHDPIZIMV-NSHDSACASA-N 1 1 286.335 2.852 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491597 775478966 /nfs/dbraw/zinc/47/89/66/775478966.db2.gz RNXZMGGLOIMTEW-GFCCVEGCSA-N 1 1 280.324 2.552 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491597 775478973 /nfs/dbraw/zinc/47/89/73/775478973.db2.gz RNXZMGGLOIMTEW-GFCCVEGCSA-N 1 1 280.324 2.552 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225575378 775507724 /nfs/dbraw/zinc/50/77/24/775507724.db2.gz PECQXBNMDFXVHX-NSHDSACASA-N 1 1 268.288 2.597 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225578050 775509065 /nfs/dbraw/zinc/50/90/65/775509065.db2.gz LLRPJUMAELMSKB-GFCCVEGCSA-N 1 1 282.315 2.986 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(C)CO ZINC000694709177 775552777 /nfs/dbraw/zinc/55/27/77/775552777.db2.gz ZZMUFRSZYSUVMC-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(C)CO ZINC000694709177 775552783 /nfs/dbraw/zinc/55/27/83/775552783.db2.gz ZZMUFRSZYSUVMC-QMTHXVAHSA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)c1 ZINC001225681852 775557183 /nfs/dbraw/zinc/55/71/83/775557183.db2.gz FKCLWSVANVOTJM-LBPRGKRZSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1c(OC2CC[NH+](CCF)CC2)cccc1[N+](=O)[O-] ZINC001225689525 775559563 /nfs/dbraw/zinc/55/95/63/775559563.db2.gz JSOZAJAYEBRSPH-UHFFFAOYSA-N 1 1 282.315 2.716 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778705 775590479 /nfs/dbraw/zinc/59/04/79/775590479.db2.gz JRNMTOSOERMPGZ-SECBINFHSA-N 1 1 286.278 2.735 20 5 CFBDMO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785674 775591686 /nfs/dbraw/zinc/59/16/86/775591686.db2.gz KCRAMUFNKPFNPF-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785674 775591690 /nfs/dbraw/zinc/59/16/90/775591690.db2.gz KCRAMUFNKPFNPF-SECBINFHSA-N 1 1 270.716 2.721 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001225905506 775629986 /nfs/dbraw/zinc/62/99/86/775629986.db2.gz VCDNOBXZVAOZNK-GDNZZTSVSA-N 1 1 280.299 2.738 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907376 775631141 /nfs/dbraw/zinc/63/11/41/775631141.db2.gz NDQRCOJXUFUIRJ-LBPRGKRZSA-N 1 1 282.315 2.986 20 5 CFBDMO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226194932 775734356 /nfs/dbraw/zinc/73/43/56/775734356.db2.gz GMQSXIJZOYOTEJ-MRVPVSSYSA-N 1 1 288.706 2.860 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226194932 775734361 /nfs/dbraw/zinc/73/43/61/775734361.db2.gz GMQSXIJZOYOTEJ-MRVPVSSYSA-N 1 1 288.706 2.860 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001226443357 775824800 /nfs/dbraw/zinc/82/48/00/775824800.db2.gz SNXCDWBOQNDTHI-PTEHBNRSSA-N 1 1 292.335 2.607 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908122 776012374 /nfs/dbraw/zinc/01/23/74/776012374.db2.gz DNSJXDYFYCQFID-QMMMGPOBSA-N 1 1 288.706 2.860 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918560 776017714 /nfs/dbraw/zinc/01/77/14/776017714.db2.gz ZRQQRMGDTMEJRN-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO O=[N+]([O-])c1cncc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227984081 776349499 /nfs/dbraw/zinc/34/94/99/776349499.db2.gz IJNQXTBKXRHJIU-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018164 776365566 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C[N@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413120785 529804973 /nfs/dbraw/zinc/80/49/73/529804973.db2.gz SBQUSOLWRGZGGE-LLVKDONJSA-N 1 1 286.335 2.507 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596307748 349859200 /nfs/dbraw/zinc/85/92/00/349859200.db2.gz ONUHOZVJBBVKAG-NSHDSACASA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1noc(COc2cc[nH+]c3c2CCCC3)c1[N+](=O)[O-] ZINC000596305622 349857359 /nfs/dbraw/zinc/85/73/59/349857359.db2.gz WCBMQMKKNMKZKO-UHFFFAOYSA-N 1 1 289.291 2.744 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000596306807 349858159 /nfs/dbraw/zinc/85/81/59/349858159.db2.gz IGYOVUNUEOIHOW-VIFPVBQESA-N 1 1 269.370 2.941 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596336735 349869134 /nfs/dbraw/zinc/86/91/34/349869134.db2.gz SIQRDAQFARXDKM-SECBINFHSA-N 1 1 298.774 2.928 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596337630 349869208 /nfs/dbraw/zinc/86/92/08/349869208.db2.gz YWSOHFJISJGHHV-LBPRGKRZSA-N 1 1 292.383 2.891 20 5 CFBDMO C[N@@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000174840688 529877663 /nfs/dbraw/zinc/87/76/63/529877663.db2.gz WFBJTLLGGXIGCG-UHFFFAOYSA-N 1 1 280.372 2.694 20 5 CFBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])c(N)c1F)C1CC1 ZINC000413346687 529884389 /nfs/dbraw/zinc/88/43/89/529884389.db2.gz IOCKGHKFULLGHC-UHFFFAOYSA-N 1 1 296.346 2.602 20 5 CFBDMO O=[N+]([O-])c1ccccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000074237132 347004512 /nfs/dbraw/zinc/00/45/12/347004512.db2.gz NPWKLSQTWAVOSM-UHFFFAOYSA-N 1 1 286.335 2.782 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098579 199343244 /nfs/dbraw/zinc/34/32/44/199343244.db2.gz UPUNPSVRXXZINB-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098579 199343245 /nfs/dbraw/zinc/34/32/45/199343245.db2.gz UPUNPSVRXXZINB-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596518498 349927705 /nfs/dbraw/zinc/92/77/05/349927705.db2.gz VDVKCEBCQNROBA-JTQLQIEISA-N 1 1 269.370 2.861 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCC1 ZINC000111299026 232192545 /nfs/dbraw/zinc/19/25/45/232192545.db2.gz VGNIEELZEXLVOF-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000295137005 199366058 /nfs/dbraw/zinc/36/60/58/199366058.db2.gz PGWUPMQMINFRTL-HNNXBMFYSA-N 1 1 278.352 2.762 20 5 CFBDMO CC(C)[NH+](CCNCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000035677549 346320860 /nfs/dbraw/zinc/32/08/60/346320860.db2.gz QWGKMIRJKSBVBX-UHFFFAOYSA-N 1 1 293.411 2.846 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)C1 ZINC000075717119 347094588 /nfs/dbraw/zinc/09/45/88/347094588.db2.gz AFNHLZQCSLJGLC-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058563869 346646289 /nfs/dbraw/zinc/64/62/89/346646289.db2.gz CWCJKHSYVFALKB-LLVKDONJSA-N 1 1 264.325 2.704 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C(C)C)C1CC1 ZINC000063492941 346702295 /nfs/dbraw/zinc/70/22/95/346702295.db2.gz SFYDUCVQXOJOKT-UHFFFAOYSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810376 346780307 /nfs/dbraw/zinc/78/03/07/346780307.db2.gz RZMXODNEOLAIBE-NWDGAFQWSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065961758 346745247 /nfs/dbraw/zinc/74/52/47/346745247.db2.gz KYCPZCMEHFSDNP-GFCCVEGCSA-N 1 1 293.367 2.818 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403308 347137088 /nfs/dbraw/zinc/13/70/88/347137088.db2.gz ODDOYGQKRZXEBW-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403308 347137091 /nfs/dbraw/zinc/13/70/91/347137091.db2.gz ODDOYGQKRZXEBW-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077211747 347174417 /nfs/dbraw/zinc/17/44/17/347174417.db2.gz QSPPXCNUFKQAQG-UHFFFAOYSA-N 1 1 293.367 2.536 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000078333359 347241921 /nfs/dbraw/zinc/24/19/21/347241921.db2.gz YOVSOKZJKUDHJM-UHFFFAOYSA-N 1 1 278.287 2.741 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1C ZINC000078336053 347242702 /nfs/dbraw/zinc/24/27/02/347242702.db2.gz DQHVWLMIFKUTSM-UHFFFAOYSA-N 1 1 289.339 2.695 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000080960983 347389595 /nfs/dbraw/zinc/38/95/95/347389595.db2.gz DIIRAWSCFACJKU-LLVKDONJSA-N 1 1 292.364 2.759 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000080960983 347389597 /nfs/dbraw/zinc/38/95/97/347389597.db2.gz DIIRAWSCFACJKU-LLVKDONJSA-N 1 1 292.364 2.759 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207728 347449607 /nfs/dbraw/zinc/44/96/07/347449607.db2.gz VLVNFKNYPLRKHE-ZJUUUORDSA-N 1 1 275.308 2.966 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000091484277 347590173 /nfs/dbraw/zinc/59/01/73/347590173.db2.gz LPKFKKJKCDVSEQ-DOMZBBRYSA-N 1 1 277.368 2.761 20 5 CFBDMO Cc1cc(N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092649639 347636719 /nfs/dbraw/zinc/63/67/19/347636719.db2.gz BYNIXVYVSAGAQE-UHFFFAOYSA-N 1 1 277.368 2.824 20 5 CFBDMO COc1cc(C[N@@H+]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000093460320 347674823 /nfs/dbraw/zinc/67/48/23/347674823.db2.gz WFBRTXMGZNWXTR-UHFFFAOYSA-N 1 1 280.324 2.596 20 5 CFBDMO COc1cc(C[N@H+]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000093460320 347674829 /nfs/dbraw/zinc/67/48/29/347674829.db2.gz WFBRTXMGZNWXTR-UHFFFAOYSA-N 1 1 280.324 2.596 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000148470097 347950616 /nfs/dbraw/zinc/95/06/16/347950616.db2.gz NJQGFVWMIUJIQM-SECBINFHSA-N 1 1 296.758 2.539 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000227888147 348191789 /nfs/dbraw/zinc/19/17/89/348191789.db2.gz VTZFWJXPGPJMIK-VIFPVBQESA-N 1 1 297.305 2.769 20 5 CFBDMO CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000236577864 348234661 /nfs/dbraw/zinc/23/46/61/348234661.db2.gz KCNUWTCTBSDSRV-UHFFFAOYSA-N 1 1 299.330 2.843 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220525828 539620888 /nfs/dbraw/zinc/62/08/88/539620888.db2.gz GIKVYJJVXOKLOM-JTQLQIEISA-N 1 1 291.355 2.613 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293206739 348361615 /nfs/dbraw/zinc/36/16/15/348361615.db2.gz RAMXAAWSNNJLFS-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000311419872 348412917 /nfs/dbraw/zinc/41/29/17/348412917.db2.gz KLIQVEOAEFQLGM-SNVBAGLBSA-N 1 1 269.320 2.875 20 5 CFBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395274 348425315 /nfs/dbraw/zinc/42/53/15/348425315.db2.gz CYUMIFCMKWNUNG-NWDGAFQWSA-N 1 1 293.367 2.806 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000404391266 348591575 /nfs/dbraw/zinc/59/15/75/348591575.db2.gz PPLGVDKHDAKFBF-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO Cc1c(C[NH2+]Cc2ccns2)cccc1[N+](=O)[O-] ZINC000404435162 348592209 /nfs/dbraw/zinc/59/22/09/348592209.db2.gz DXJFBFHZEKXQBE-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589189363 348818001 /nfs/dbraw/zinc/81/80/01/348818001.db2.gz SWECOVGWZQCQQQ-YQCJOKCJSA-N 1 1 278.352 2.965 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C2CC2)C1 ZINC000589736849 348853872 /nfs/dbraw/zinc/85/38/72/348853872.db2.gz SSWMLRUPKNSQTB-UHFFFAOYSA-N 1 1 276.336 2.835 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000590141950 348878044 /nfs/dbraw/zinc/87/80/44/348878044.db2.gz VZSGEIQIZIOUIV-ZDUSSCGKSA-N 1 1 281.381 2.578 20 5 CFBDMO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703681 348931003 /nfs/dbraw/zinc/93/10/03/348931003.db2.gz NZLIJJWLDQNYRC-JTQLQIEISA-N 1 1 281.381 2.577 20 5 CFBDMO Cc1c([C@H](C)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591578242 349032028 /nfs/dbraw/zinc/03/20/28/349032028.db2.gz DVUVURYFOYLHHC-STQMWFEESA-N 1 1 277.368 2.696 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3=CCCC3)C2)nc1 ZINC000592079996 349080787 /nfs/dbraw/zinc/08/07/87/349080787.db2.gz KBEBUXSJSSZVPD-ZDUSSCGKSA-N 1 1 288.351 2.586 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000592134191 349088952 /nfs/dbraw/zinc/08/89/52/349088952.db2.gz JJULIIMSSDYLJQ-ZBFHGGJFSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000592134190 349089067 /nfs/dbraw/zinc/08/90/67/349089067.db2.gz JJULIIMSSDYLJQ-HOCLYGCPSA-N 1 1 290.363 2.986 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140024 349090131 /nfs/dbraw/zinc/09/01/31/349090131.db2.gz UPJIAOBYPSNYEF-HNNXBMFYSA-N 1 1 283.331 2.979 20 5 CFBDMO C[C@H]1CC2(C[N@H+]1Cc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181549 349095881 /nfs/dbraw/zinc/09/58/81/349095881.db2.gz HROSEUFJXYLSRF-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592520350 349131869 /nfs/dbraw/zinc/13/18/69/349131869.db2.gz LJSNDRMABSHSRH-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592520350 349131870 /nfs/dbraw/zinc/13/18/70/349131870.db2.gz LJSNDRMABSHSRH-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592520350 349131872 /nfs/dbraw/zinc/13/18/72/349131872.db2.gz LJSNDRMABSHSRH-HNNXBMFYSA-N 1 1 291.395 2.819 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114408 349212287 /nfs/dbraw/zinc/21/22/87/349212287.db2.gz ALCPYHBSAPQDOO-LBPRGKRZSA-N 1 1 268.263 2.826 20 5 CFBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593056110 349195870 /nfs/dbraw/zinc/19/58/70/349195870.db2.gz YCNMCYMCIBJEIH-OAHLLOKOSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000593067736 349200200 /nfs/dbraw/zinc/20/02/00/349200200.db2.gz JYYBYTDRGCKGTO-AWEZNQCLSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000594067135 349367634 /nfs/dbraw/zinc/36/76/34/349367634.db2.gz YBJBIVSENAGDIU-SECBINFHSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000594067135 349367637 /nfs/dbraw/zinc/36/76/37/349367637.db2.gz YBJBIVSENAGDIU-SECBINFHSA-N 1 1 284.743 2.593 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597209438 350056746 /nfs/dbraw/zinc/05/67/46/350056746.db2.gz BKUBPYHNHSXXLB-XJKSGUPXSA-N 1 1 290.363 2.675 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000271227531 191014918 /nfs/dbraw/zinc/01/49/18/191014918.db2.gz RVHRWFZAWZIYSS-UHFFFAOYSA-N 1 1 275.308 2.877 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000104685959 186013580 /nfs/dbraw/zinc/01/35/80/186013580.db2.gz FKHGFLOMDAEQSH-JTQLQIEISA-N 1 1 252.314 2.834 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000104688501 186014131 /nfs/dbraw/zinc/01/41/31/186014131.db2.gz XNMALSQAHBTYDB-NSHDSACASA-N 1 1 252.314 2.704 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000271309174 191064608 /nfs/dbraw/zinc/06/46/08/191064608.db2.gz LYIJZQHYKFYEJH-JSGCOSHPSA-N 1 1 277.368 2.822 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091772436 180249093 /nfs/dbraw/zinc/24/90/93/180249093.db2.gz NAZLSBJSHLGXLR-ZDUSSCGKSA-N 1 1 264.325 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](N)c1ccccc1 ZINC000414828029 233369419 /nfs/dbraw/zinc/36/94/19/233369419.db2.gz IGAPIZMRWGLJMD-MRXNPFEDSA-N 1 1 285.347 2.693 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000598649398 350302046 /nfs/dbraw/zinc/30/20/46/350302046.db2.gz VDYFBNYGJDYTHI-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000598649398 350302049 /nfs/dbraw/zinc/30/20/49/350302049.db2.gz VDYFBNYGJDYTHI-NSHDSACASA-N 1 1 284.381 2.639 20 5 CFBDMO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962731 350349876 /nfs/dbraw/zinc/34/98/76/350349876.db2.gz IQSZMKXXAHOXNH-AWEZNQCLSA-N 1 1 291.395 2.600 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000599139843 350382981 /nfs/dbraw/zinc/38/29/81/350382981.db2.gz QYYJENVZDIRIKV-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352793 /nfs/dbraw/zinc/35/27/93/180352793.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 1 1 291.395 2.677 20 5 CFBDMO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599506796 350447838 /nfs/dbraw/zinc/44/78/38/350447838.db2.gz ITNPOHCCLXFKIG-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000599683606 350482304 /nfs/dbraw/zinc/48/23/04/350482304.db2.gz WXDVBQUVYXBSRL-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO Cc1[nH+]ccn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000108657979 186226437 /nfs/dbraw/zinc/22/64/37/186226437.db2.gz LMTLQOGRZCKHGH-UHFFFAOYSA-N 1 1 251.673 2.801 20 5 CFBDMO COC[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601120686 350673973 /nfs/dbraw/zinc/67/39/73/350673973.db2.gz KBOPUIMSGSRIKR-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO CN(C[C@H]1CCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601124978 350675207 /nfs/dbraw/zinc/67/52/07/350675207.db2.gz LEJMKHMTIUFOSA-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@]4(CCOC4)C3)c2c1 ZINC000601129261 350676568 /nfs/dbraw/zinc/67/65/68/350676568.db2.gz OUGJRWBIFAECKN-INIZCTEOSA-N 1 1 299.330 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000601154712 350683773 /nfs/dbraw/zinc/68/37/73/350683773.db2.gz UGHCGJPXZHIOTE-LBPRGKRZSA-N 1 1 294.330 2.558 20 5 CFBDMO CSC1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601156096 350684620 /nfs/dbraw/zinc/68/46/20/350684620.db2.gz LFQBXDYKUYXJTL-UHFFFAOYSA-N 1 1 289.360 2.872 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(F)c1 ZINC000601160053 350685415 /nfs/dbraw/zinc/68/54/15/350685415.db2.gz QTDOSCGTCTVLON-PSASIEDQSA-N 1 1 278.205 2.774 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602027461 350834940 /nfs/dbraw/zinc/83/49/40/350834940.db2.gz SRGDRGVPSZCXQR-AWEZNQCLSA-N 1 1 289.335 2.550 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602027461 350834943 /nfs/dbraw/zinc/83/49/43/350834943.db2.gz SRGDRGVPSZCXQR-AWEZNQCLSA-N 1 1 289.335 2.550 20 5 CFBDMO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000271416372 191125548 /nfs/dbraw/zinc/12/55/48/191125548.db2.gz BFOHYRQHMYUKEM-HNNXBMFYSA-N 1 1 286.335 2.934 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111297332 186392069 /nfs/dbraw/zinc/39/20/69/186392069.db2.gz OMURRYQRHYQMGE-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485004 350902551 /nfs/dbraw/zinc/90/25/51/350902551.db2.gz LZUQQIAAPYBTFA-AAEUAGOBSA-N 1 1 280.372 2.729 20 5 CFBDMO Cn1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602496047 350905785 /nfs/dbraw/zinc/90/57/85/350905785.db2.gz ZYJSMPASCGCIIT-UHFFFAOYSA-N 1 1 278.356 2.507 20 5 CFBDMO Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602496047 350905789 /nfs/dbraw/zinc/90/57/89/350905789.db2.gz ZYJSMPASCGCIIT-UHFFFAOYSA-N 1 1 278.356 2.507 20 5 CFBDMO Cn1cc(C[N@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476036 350896849 /nfs/dbraw/zinc/89/68/49/350896849.db2.gz VDNVVHOPPKUIIH-UHFFFAOYSA-N 1 1 292.383 2.875 20 5 CFBDMO CO[C@@](C)(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602659533 350964450 /nfs/dbraw/zinc/96/44/50/350964450.db2.gz SEBRMGVLTGHIAM-INIZCTEOSA-N 1 1 292.379 2.884 20 5 CFBDMO CC[C@@H](C)[C@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771246 351019395 /nfs/dbraw/zinc/01/93/95/351019395.db2.gz AUTBTXDSIDNZTP-NEPJUHHUSA-N 1 1 294.399 2.999 20 5 CFBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795711 351027931 /nfs/dbraw/zinc/02/79/31/351027931.db2.gz NEPJGUOAFMFHDY-ZDUSSCGKSA-N 1 1 280.372 2.729 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000602832468 351039887 /nfs/dbraw/zinc/03/98/87/351039887.db2.gz MVTGPTRHNQZFLK-STQMWFEESA-N 1 1 292.383 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000602845613 351044154 /nfs/dbraw/zinc/04/41/54/351044154.db2.gz LGYBYNLPMUHWFF-AWEZNQCLSA-N 1 1 292.383 2.612 20 5 CFBDMO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1F ZINC000602867025 351051842 /nfs/dbraw/zinc/05/18/42/351051842.db2.gz PYIQHQWMNYRNJM-ZDUSSCGKSA-N 1 1 292.314 2.708 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602883070 351057447 /nfs/dbraw/zinc/05/74/47/351057447.db2.gz VYUQDHXYWCWUJV-ZDUSSCGKSA-N 1 1 272.308 2.655 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602883070 351057448 /nfs/dbraw/zinc/05/74/48/351057448.db2.gz VYUQDHXYWCWUJV-ZDUSSCGKSA-N 1 1 272.308 2.655 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000602902646 351061419 /nfs/dbraw/zinc/06/14/19/351061419.db2.gz KBNBVVPKSXMGLM-CQSZACIVSA-N 1 1 292.383 2.612 20 5 CFBDMO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000602937230 351070085 /nfs/dbraw/zinc/07/00/85/351070085.db2.gz IEIUQNPEUFQVAO-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO Cc1n[nH]cc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000602937230 351070088 /nfs/dbraw/zinc/07/00/88/351070088.db2.gz IEIUQNPEUFQVAO-UHFFFAOYSA-N 1 1 274.324 2.567 20 5 CFBDMO C[C@]1(C2CCCCC2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000603028175 351091719 /nfs/dbraw/zinc/09/17/19/351091719.db2.gz AITAHWQCCXQIPY-OAHLLOKOSA-N 1 1 292.383 2.836 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604495110 351215370 /nfs/dbraw/zinc/21/53/70/351215370.db2.gz PJARYNFGGATLOY-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO COC[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000610605218 351585564 /nfs/dbraw/zinc/58/55/64/351585564.db2.gz QYCNYMLDPOVDOK-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000610660772 351588954 /nfs/dbraw/zinc/58/89/54/351588954.db2.gz CPGFVJWFOKHINU-UHFFFAOYSA-N 1 1 280.372 2.754 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCCC1 ZINC000610797328 351609813 /nfs/dbraw/zinc/60/98/13/351609813.db2.gz UONBVMLESRMJSN-CYBMUJFWSA-N 1 1 277.368 2.650 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(C)COC1 ZINC000610367472 351559943 /nfs/dbraw/zinc/55/99/43/351559943.db2.gz POBMYBXTWBPQDS-NSHDSACASA-N 1 1 264.325 2.624 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000611083771 351639109 /nfs/dbraw/zinc/63/91/09/351639109.db2.gz LOHQJDMWCZIYCC-CYBMUJFWSA-N 1 1 275.352 2.799 20 5 CFBDMO CC[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084670 351639349 /nfs/dbraw/zinc/63/93/49/351639349.db2.gz IQDVOUBFZPVQLO-SNVBAGLBSA-N 1 1 283.759 2.779 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180805 351649550 /nfs/dbraw/zinc/64/95/50/351649550.db2.gz VALIRGQVSIKMEU-UHFFFAOYSA-N 1 1 298.289 2.705 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611222069 351652564 /nfs/dbraw/zinc/65/25/64/351652564.db2.gz WNUYNDIPNRRCQN-VHSXEESVSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611222069 351652567 /nfs/dbraw/zinc/65/25/67/351652567.db2.gz WNUYNDIPNRRCQN-VHSXEESVSA-N 1 1 298.774 2.562 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCCOC1 ZINC000611252950 351658228 /nfs/dbraw/zinc/65/82/28/351658228.db2.gz PVPDBYPDYBHRIJ-GFCCVEGCSA-N 1 1 276.336 2.934 20 5 CFBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611254713 351659246 /nfs/dbraw/zinc/65/92/46/351659246.db2.gz MGTGJTDHISVBFO-UHFFFAOYSA-N 1 1 294.351 2.844 20 5 CFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256594 351659288 /nfs/dbraw/zinc/65/92/88/351659288.db2.gz ILEHAXNFQQAFQK-VSKVDJIOSA-N 1 1 290.363 2.966 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000611411725 351685250 /nfs/dbraw/zinc/68/52/50/351685250.db2.gz WMUBORYFYRCBRU-NXEZZACHSA-N 1 1 267.354 2.695 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@H+]1C ZINC000611413135 351685899 /nfs/dbraw/zinc/68/58/99/351685899.db2.gz UEHYNJVQJGOIBX-BDAKNGLRSA-N 1 1 255.343 2.551 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ncn1 ZINC000611337274 351670058 /nfs/dbraw/zinc/67/00/58/351670058.db2.gz QBXJDMHVJVEWJU-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ncn1 ZINC000611337276 351670207 /nfs/dbraw/zinc/67/02/07/351670207.db2.gz RBWZDSWUJRFPPL-GFCCVEGCSA-N 1 1 286.335 2.852 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616644 351714240 /nfs/dbraw/zinc/71/42/40/351714240.db2.gz IWYWXPRWTAFPOK-ZDUSSCGKSA-N 1 1 292.383 2.750 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOC[C@@H]1C ZINC000612578538 351837995 /nfs/dbraw/zinc/83/79/95/351837995.db2.gz RHDOQRNDOCPAIU-LBPRGKRZSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@@H](c1ccncc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612468222 351824351 /nfs/dbraw/zinc/82/43/51/351824351.db2.gz XJDSMBAJLCYUHD-NSHDSACASA-N 1 1 284.319 2.504 20 5 CFBDMO C[C@@H](c1ccncc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612468222 351824355 /nfs/dbraw/zinc/82/43/55/351824355.db2.gz XJDSMBAJLCYUHD-NSHDSACASA-N 1 1 284.319 2.504 20 5 CFBDMO C[N@@H+]1CC=C(CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291773265 198088008 /nfs/dbraw/zinc/08/80/08/198088008.db2.gz BYIWXSDHANWWTP-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000122922499 187059884 /nfs/dbraw/zinc/05/98/84/187059884.db2.gz IBQOYLKLUNSXCG-LBPRGKRZSA-N 1 1 263.341 2.798 20 5 CFBDMO CC[N@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000123304198 187083622 /nfs/dbraw/zinc/08/36/22/187083622.db2.gz JTMANHBMLYFYSI-JTQLQIEISA-N 1 1 269.370 2.800 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647029 187102650 /nfs/dbraw/zinc/10/26/50/187102650.db2.gz PITRVCGIEHDVFE-AAEUAGOBSA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655172 187103050 /nfs/dbraw/zinc/10/30/50/187103050.db2.gz PFVRYEKOFMSRIN-JSGCOSHPSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846419 187111816 /nfs/dbraw/zinc/11/18/16/187111816.db2.gz XSBKERYZVIFMBD-JSGCOSHPSA-N 1 1 278.352 2.720 20 5 CFBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])s2)CCCO1 ZINC000617843270 352656631 /nfs/dbraw/zinc/65/66/31/352656631.db2.gz UZFWOUBNNLPERD-LLVKDONJSA-N 1 1 299.396 2.569 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292223298 198207441 /nfs/dbraw/zinc/20/74/41/198207441.db2.gz VCAGBJAGRMBNFI-OAHLLOKOSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292257076 198220698 /nfs/dbraw/zinc/22/06/98/198220698.db2.gz YFRPRVUXVXWYBG-HNNXBMFYSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785258 353066652 /nfs/dbraw/zinc/06/66/52/353066652.db2.gz SZXKEZZPGRYOBB-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000154431101 188142500 /nfs/dbraw/zinc/14/25/00/188142500.db2.gz FPBKVCQVZQQKGB-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1[nH+]ccn1CCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000273600604 192224870 /nfs/dbraw/zinc/22/48/70/192224870.db2.gz LFKWGBXOQNRVOZ-UHFFFAOYSA-N 1 1 286.335 2.553 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294692437 199137252 /nfs/dbraw/zinc/13/72/52/199137252.db2.gz AFDZNBVNNYOTCD-AWEZNQCLSA-N 1 1 278.352 2.578 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000294904423 199241038 /nfs/dbraw/zinc/24/10/38/199241038.db2.gz RWNQLMDVGZTHGK-JTQLQIEISA-N 1 1 292.314 2.801 20 5 CFBDMO Cc1nc(NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301623795 201102245 /nfs/dbraw/zinc/10/22/45/201102245.db2.gz GLWKCWZYXCDLEV-UHFFFAOYSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000183253423 189352231 /nfs/dbraw/zinc/35/22/31/189352231.db2.gz ZWZJPQRKZBFTGY-CQSZACIVSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301661837 201122308 /nfs/dbraw/zinc/12/23/08/201122308.db2.gz MXAJCEXQBBLMBN-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662015 201122709 /nfs/dbraw/zinc/12/27/09/201122709.db2.gz UVMOJBRJBXWGKL-RYUDHWBXSA-N 1 1 292.383 2.831 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183304105 189353693 /nfs/dbraw/zinc/35/36/93/189353693.db2.gz XDUPPAXGXKYQSU-UHFFFAOYSA-N 1 1 266.341 2.762 20 5 CFBDMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183306782 189354490 /nfs/dbraw/zinc/35/44/90/189354490.db2.gz MLWGYFAQEPMYID-AWEZNQCLSA-N 1 1 286.335 2.569 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190219730 189557910 /nfs/dbraw/zinc/55/79/10/189557910.db2.gz FKDLHVAHHFTPTL-MRXNPFEDSA-N 1 1 292.379 2.888 20 5 CFBDMO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435379355 240307831 /nfs/dbraw/zinc/30/78/31/240307831.db2.gz BOAJANDLMOVTPC-HNNXBMFYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275433300 193035032 /nfs/dbraw/zinc/03/50/32/193035032.db2.gz JIYWMOWWESPSBL-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275483045 193054998 /nfs/dbraw/zinc/05/49/98/193054998.db2.gz OMNVHCKGWVTQNO-BXUZGUMPSA-N 1 1 278.352 2.749 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000275520769 193065259 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C[N@@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450276095 242336937 /nfs/dbraw/zinc/33/69/37/242336937.db2.gz NZZCEJDUSSBPNZ-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000452035203 243018853 /nfs/dbraw/zinc/01/88/53/243018853.db2.gz GLKCTMBGXCTQEM-CQSZACIVSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@H]1C[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614984 203041534 /nfs/dbraw/zinc/04/15/34/203041534.db2.gz UATVQIIBKWCKKB-UONOGXRCSA-N 1 1 292.379 2.884 20 5 CFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276308854 193280673 /nfs/dbraw/zinc/28/06/73/193280673.db2.gz LNFHBEGFXXERLP-UHFFFAOYSA-N 1 1 298.358 2.964 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000459801083 245335336 /nfs/dbraw/zinc/33/53/36/245335336.db2.gz XDNMAJVMLBNLKI-MNOVXSKESA-N 1 1 274.324 2.740 20 5 CFBDMO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956037 245375293 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CC(C)[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054128384 373499813 /nfs/dbraw/zinc/49/98/13/373499813.db2.gz AGWQFOMFBDRJBY-UHFFFAOYSA-N 1 1 288.351 2.895 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451736106 383694669 /nfs/dbraw/zinc/69/46/69/383694669.db2.gz ZBIQXROFLPLOMX-GFCCVEGCSA-N 1 1 295.358 2.650 20 5 CFBDMO CC(C)[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069084044 374047829 /nfs/dbraw/zinc/04/78/29/374047829.db2.gz UJODOGZPDYAIAK-UHFFFAOYSA-N 1 1 277.368 2.511 20 5 CFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874961 374297677 /nfs/dbraw/zinc/29/76/77/374297677.db2.gz RKIFOORPZXFPHG-CMPLNLGQSA-N 1 1 291.351 2.715 20 5 CFBDMO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072897491 374300347 /nfs/dbraw/zinc/30/03/47/374300347.db2.gz LUVPBRJZQUJQQK-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072897491 374300352 /nfs/dbraw/zinc/30/03/52/374300352.db2.gz LUVPBRJZQUJQQK-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081519510 374701744 /nfs/dbraw/zinc/70/17/44/374701744.db2.gz XIHSHUUFBVBSJO-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090794522 375028135 /nfs/dbraw/zinc/02/81/35/375028135.db2.gz GMLKHWKHJUYTHL-VXGBXAGGSA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000090795150 375030429 /nfs/dbraw/zinc/03/04/29/375030429.db2.gz KHPQPDSYULFMPD-ZJUUUORDSA-N 1 1 267.304 2.629 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820055 375317122 /nfs/dbraw/zinc/31/71/22/375317122.db2.gz IMURSSXPSDOOMI-LLCTXKFZSA-N 1 1 288.347 2.720 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCOC1 ZINC000094774853 375379716 /nfs/dbraw/zinc/37/97/16/375379716.db2.gz RESKGGCMUQMLAO-GFCCVEGCSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000501791721 247106565 /nfs/dbraw/zinc/10/65/65/247106565.db2.gz BPKJAHWXCMDABL-STQMWFEESA-N 1 1 278.352 2.952 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107829677 375810674 /nfs/dbraw/zinc/81/06/74/375810674.db2.gz GTGYSTNKGVWSMT-GXTWGEPZSA-N 1 1 261.325 2.634 20 5 CFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112076661 375882093 /nfs/dbraw/zinc/88/20/93/375882093.db2.gz UZCQFXZRWGCVQM-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CC1 ZINC000112983457 375981322 /nfs/dbraw/zinc/98/13/22/375981322.db2.gz ULDBTFRFTCHYTJ-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000114725366 376084952 /nfs/dbraw/zinc/08/49/52/376084952.db2.gz DDUMPNKROBWPQX-UHFFFAOYSA-N 1 1 279.340 2.511 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000119016456 376337077 /nfs/dbraw/zinc/33/70/77/376337077.db2.gz HPPKSDAYTACNOF-UHFFFAOYSA-N 1 1 287.319 2.501 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000118415428 376294742 /nfs/dbraw/zinc/29/47/42/376294742.db2.gz XHVNYGDVJSNQFP-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000118415428 376294749 /nfs/dbraw/zinc/29/47/49/376294749.db2.gz XHVNYGDVJSNQFP-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000120179568 376562648 /nfs/dbraw/zinc/56/26/48/376562648.db2.gz HQWHHHAIXNEWCO-UHFFFAOYSA-N 1 1 288.351 2.935 20 5 CFBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900202 376720033 /nfs/dbraw/zinc/72/00/33/376720033.db2.gz YFUBGVMOICRPAW-JSGCOSHPSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125308545 377140576 /nfs/dbraw/zinc/14/05/76/377140576.db2.gz QTZLMXSNAADVME-JMGFVUJMSA-N 1 1 289.379 2.715 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCF)C2CC2)cc1 ZINC000130990212 377642275 /nfs/dbraw/zinc/64/22/75/377642275.db2.gz UQIAWEZNIFXMHP-UHFFFAOYSA-N 1 1 252.289 2.919 20 5 CFBDMO CC(C)OCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131274957 377687079 /nfs/dbraw/zinc/68/70/79/377687079.db2.gz MQZOVUQJAMDHKD-UHFFFAOYSA-N 1 1 278.352 2.768 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134404099 378010136 /nfs/dbraw/zinc/01/01/36/378010136.db2.gz OWIZDAOMLZNIFX-AWEZNQCLSA-N 1 1 280.368 2.742 20 5 CFBDMO Cc1nccn1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000136301929 378194240 /nfs/dbraw/zinc/19/42/40/378194240.db2.gz SXAPQATZMUPOCB-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CCOCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153320658 378486125 /nfs/dbraw/zinc/48/61/25/378486125.db2.gz OCVLNOBRYXALQJ-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153704299 378505589 /nfs/dbraw/zinc/50/55/89/378505589.db2.gz ITKGTMBOYBJVTB-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO C[C@@H]1C[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000153829923 378514230 /nfs/dbraw/zinc/51/42/30/378514230.db2.gz ZMUAVCGYQOBUIG-KOLCDFICSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330502035 378571736 /nfs/dbraw/zinc/57/17/36/378571736.db2.gz BEQXYSYANHVSLV-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO CC(C)(C)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000331311471 378666383 /nfs/dbraw/zinc/66/63/83/378666383.db2.gz GXORYMTVQPBKJL-HNNXBMFYSA-N 1 1 292.379 2.884 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cs1 ZINC000332144858 378729403 /nfs/dbraw/zinc/72/94/03/378729403.db2.gz NIXXLKYZPGSIEP-CYBMUJFWSA-N 1 1 296.392 2.905 20 5 CFBDMO Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000161509940 378853182 /nfs/dbraw/zinc/85/31/82/378853182.db2.gz NSMIYMUDUDSRDD-GFCCVEGCSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1nn(CC[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000278592132 194059931 /nfs/dbraw/zinc/05/99/31/194059931.db2.gz PZFSGJWXAUKWIW-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCCCO ZINC000278936252 194220603 /nfs/dbraw/zinc/22/06/03/194220603.db2.gz TYVRIYSXUWSYBM-GFCCVEGCSA-N 1 1 266.341 2.750 20 5 CFBDMO C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000172591748 379601562 /nfs/dbraw/zinc/60/15/62/379601562.db2.gz JFLQZYPXBAWJCO-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO CC[N@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372847 379731551 /nfs/dbraw/zinc/73/15/51/379731551.db2.gz VXAYJXFRPSCLJS-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372847 379731560 /nfs/dbraw/zinc/73/15/60/379731560.db2.gz VXAYJXFRPSCLJS-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000176195086 380193978 /nfs/dbraw/zinc/19/39/78/380193978.db2.gz FKKOXCZWAWARAU-LLVKDONJSA-N 1 1 292.364 2.690 20 5 CFBDMO C[C@@H](c1cccs1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176210766 380195833 /nfs/dbraw/zinc/19/58/33/380195833.db2.gz GBTHYRVMBOSTFG-JTQLQIEISA-N 1 1 280.353 2.546 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1C ZINC000176207882 380196062 /nfs/dbraw/zinc/19/60/62/380196062.db2.gz JEBRTSVTOYLSIQ-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353804512 380866692 /nfs/dbraw/zinc/86/66/92/380866692.db2.gz MWIZKKLLGNDBNN-ZIAGYGMSSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287432415 380829851 /nfs/dbraw/zinc/82/98/51/380829851.db2.gz UTBLGPPKZAWEJL-UHFFFAOYSA-N 1 1 289.339 2.574 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSCC[C@H]1C ZINC000279228065 194342339 /nfs/dbraw/zinc/34/23/39/194342339.db2.gz IWXBYTFCKCGEGP-LLVKDONJSA-N 1 1 296.392 2.931 20 5 CFBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347021769 380885531 /nfs/dbraw/zinc/88/55/31/380885531.db2.gz NNTBZCMELQNKJO-MISXGVKJSA-N 1 1 292.335 2.539 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353848818 380897661 /nfs/dbraw/zinc/89/76/61/380897661.db2.gz WOFJSIQXNIBVCD-ZDUSSCGKSA-N 1 1 278.352 2.939 20 5 CFBDMO Cc1ccc(C[N@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000182032139 380969338 /nfs/dbraw/zinc/96/93/38/380969338.db2.gz IUECFSMCKZEERJ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1ccc(C[N@@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000182032139 380969342 /nfs/dbraw/zinc/96/93/42/380969342.db2.gz IUECFSMCKZEERJ-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000182120361 380993533 /nfs/dbraw/zinc/99/35/33/380993533.db2.gz FAETXKNUUWJDRG-JTQLQIEISA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000182120361 380993540 /nfs/dbraw/zinc/99/35/40/380993540.db2.gz FAETXKNUUWJDRG-JTQLQIEISA-N 1 1 284.743 2.859 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000354077893 381062950 /nfs/dbraw/zinc/06/29/50/381062950.db2.gz JYMOGVAGYCUFKJ-NEPJUHHUSA-N 1 1 282.365 2.515 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CO)C1 ZINC000347343109 381083491 /nfs/dbraw/zinc/08/34/91/381083491.db2.gz QIGLMDCTXZQWQX-XETPBLJFSA-N 1 1 290.363 2.702 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000341555471 381084284 /nfs/dbraw/zinc/08/42/84/381084284.db2.gz AQZZKAICDCEHOB-CQSZACIVSA-N 1 1 288.278 2.957 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)O ZINC000347356182 381094843 /nfs/dbraw/zinc/09/48/43/381094843.db2.gz LCEGIIMXSLCALB-XYOKQWHBSA-N 1 1 278.352 2.701 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000347370094 381102943 /nfs/dbraw/zinc/10/29/43/381102943.db2.gz URNVYVGAWFHPPF-WOVASVFFSA-N 1 1 288.347 2.861 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@H](C)O ZINC000347383704 381113112 /nfs/dbraw/zinc/11/31/12/381113112.db2.gz YSZPGPNVAYWOBM-SUIFULHWSA-N 1 1 278.352 2.701 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000182364800 381076890 /nfs/dbraw/zinc/07/68/90/381076890.db2.gz DPRFWMGTJRCRGW-FZMZJTMJSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000368790552 381133335 /nfs/dbraw/zinc/13/33/35/381133335.db2.gz HQPHYQYSRREGLI-INIZCTEOSA-N 1 1 290.363 2.986 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000182666516 381134080 /nfs/dbraw/zinc/13/40/80/381134080.db2.gz QENRXORLGOCCAA-IRXDYDNUSA-N 1 1 298.342 2.685 20 5 CFBDMO Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000295975805 381192955 /nfs/dbraw/zinc/19/29/55/381192955.db2.gz KPJKXQQCJFLKRJ-YHWZYXNKSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000359083395 381255679 /nfs/dbraw/zinc/25/56/79/381255679.db2.gz OFZJZNBMMHUPDA-LBPRGKRZSA-N 1 1 290.367 2.669 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359088411 381258676 /nfs/dbraw/zinc/25/86/76/381258676.db2.gz ZANAIFDLBRPADI-CYBMUJFWSA-N 1 1 292.383 2.893 20 5 CFBDMO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342306041 381264327 /nfs/dbraw/zinc/26/43/27/381264327.db2.gz RJRBUROPSFFNOU-NSHDSACASA-N 1 1 293.367 2.550 20 5 CFBDMO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359033682 381226654 /nfs/dbraw/zinc/22/66/54/381226654.db2.gz WXIGLUTWLIUJSW-STQMWFEESA-N 1 1 279.384 2.976 20 5 CFBDMO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000342235193 381228924 /nfs/dbraw/zinc/22/89/24/381228924.db2.gz IWFZGRJWXOSRPG-UHFFFAOYSA-N 1 1 288.351 2.662 20 5 CFBDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578656 381234852 /nfs/dbraw/zinc/23/48/52/381234852.db2.gz PLIJUDOINIVFGO-STQMWFEESA-N 1 1 294.399 2.938 20 5 CFBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296191323 381294515 /nfs/dbraw/zinc/29/45/15/381294515.db2.gz YMNOUGDPNNPPBP-NSHDSACASA-N 1 1 295.408 2.572 20 5 CFBDMO CO[C@H](C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354445131 381272300 /nfs/dbraw/zinc/27/23/00/381272300.db2.gz DFGROZYDPAJCIB-CYBMUJFWSA-N 1 1 296.367 2.719 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369670699 381311298 /nfs/dbraw/zinc/31/12/98/381311298.db2.gz PKJSECZZQWBDTH-ICGFCLIJSA-N 1 1 288.347 2.719 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000369901536 381350017 /nfs/dbraw/zinc/35/00/17/381350017.db2.gz GWCFMVIMIXRTGM-LSDHHAIUSA-N 1 1 290.363 2.762 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000354700856 381408475 /nfs/dbraw/zinc/40/84/75/381408475.db2.gz XGPGSXXYESBMHW-HJHHMULASA-N 1 1 290.363 2.702 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCn1ccnc1 ZINC000290392208 381410113 /nfs/dbraw/zinc/41/01/13/381410113.db2.gz IWVKRCDWNNMSJA-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC000184213988 381385846 /nfs/dbraw/zinc/38/58/46/381385846.db2.gz ZFTPSVYPMWEBPB-UHFFFAOYSA-N 1 1 282.315 2.974 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184234176 381390230 /nfs/dbraw/zinc/39/02/30/381390230.db2.gz KAZANAAQEAOCPV-JTQLQIEISA-N 1 1 282.315 2.974 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000370204367 381403286 /nfs/dbraw/zinc/40/32/86/381403286.db2.gz PJJWWDMZUFQGLR-HUUCEWRRSA-N 1 1 276.336 2.657 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355120288 381625505 /nfs/dbraw/zinc/62/55/05/381625505.db2.gz YFTZUSBREIKNPS-CABCVRRESA-N 1 1 290.363 2.904 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C)C1 ZINC000348669680 381661833 /nfs/dbraw/zinc/66/18/33/381661833.db2.gz HGBZRBDIQCFABJ-LLBKUYECSA-N 1 1 276.336 2.719 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C)C1 ZINC000348669680 381661838 /nfs/dbraw/zinc/66/18/38/381661838.db2.gz HGBZRBDIQCFABJ-LLBKUYECSA-N 1 1 276.336 2.719 20 5 CFBDMO CCN[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957806 381651858 /nfs/dbraw/zinc/65/18/58/381651858.db2.gz OTAGXKGMMHWTHJ-QWHCGFSZSA-N 1 1 279.384 2.504 20 5 CFBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348707678 381675274 /nfs/dbraw/zinc/67/52/74/381675274.db2.gz JQGDCBYCPVTJHS-CYBMUJFWSA-N 1 1 264.325 2.514 20 5 CFBDMO COC1CC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000348709381 381678022 /nfs/dbraw/zinc/67/80/22/381678022.db2.gz MMMJPPXGYQLMOB-ALCCZGGFSA-N 1 1 276.336 2.717 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000371736857 381689810 /nfs/dbraw/zinc/68/98/10/381689810.db2.gz QCOYIFCJLRNWTA-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754319 381737407 /nfs/dbraw/zinc/73/74/07/381737407.db2.gz NQXYOAVPVWNRQG-TZMCWYRMSA-N 1 1 278.352 2.637 20 5 CFBDMO COc1cccc(NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000355312166 381744663 /nfs/dbraw/zinc/74/46/63/381744663.db2.gz JJPSQWIJEDSJGI-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291322249 381748172 /nfs/dbraw/zinc/74/81/72/381748172.db2.gz STZHKAFYNMWQKV-CQSZACIVSA-N 1 1 286.335 2.547 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000291346314 381756350 /nfs/dbraw/zinc/75/63/50/381756350.db2.gz XGWWYEFMMBPUNQ-CQSZACIVSA-N 1 1 280.368 2.996 20 5 CFBDMO C[C@@H]1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343456847 381723857 /nfs/dbraw/zinc/72/38/57/381723857.db2.gz JZRPTNZJJUWTDR-SCZZXKLOSA-N 1 1 284.747 2.538 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000372271375 381783703 /nfs/dbraw/zinc/78/37/03/381783703.db2.gz BGHDEKIACDRBHC-NSHDSACASA-N 1 1 292.364 2.690 20 5 CFBDMO CC(C)(C)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372334148 381791540 /nfs/dbraw/zinc/79/15/40/381791540.db2.gz ZEVGFAHZRBEFOJ-GFCCVEGCSA-N 1 1 280.372 2.864 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335007 381761727 /nfs/dbraw/zinc/76/17/27/381761727.db2.gz NFKVBEFMCUQMSZ-VXGBXAGGSA-N 1 1 280.372 2.729 20 5 CFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211578 381770367 /nfs/dbraw/zinc/77/03/67/381770367.db2.gz FJKLXHVNKGWAMW-WDEREUQCSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770039 381828614 /nfs/dbraw/zinc/82/86/14/381828614.db2.gz WRMSFCLGYNCICV-AAEUAGOBSA-N 1 1 295.358 2.819 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000299077418 381815497 /nfs/dbraw/zinc/81/54/97/381815497.db2.gz QXBRMOQDDVNOED-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000349238642 381859443 /nfs/dbraw/zinc/85/94/43/381859443.db2.gz DAKNQIVWWJXDAX-JTQLQIEISA-N 1 1 292.726 2.872 20 5 CFBDMO CCC[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299404329 381927870 /nfs/dbraw/zinc/92/78/70/381927870.db2.gz WTNXYJYGEKIVDA-UHFFFAOYSA-N 1 1 293.367 2.964 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000343914704 382016638 /nfs/dbraw/zinc/01/66/38/382016638.db2.gz ODVPWZQNRVODAG-GFCCVEGCSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000293094877 381987192 /nfs/dbraw/zinc/98/71/92/381987192.db2.gz KQKSEPUDJIWWJU-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000301186422 382102335 /nfs/dbraw/zinc/10/23/35/382102335.db2.gz KFUHYEAAYUHZFG-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301212936 382107797 /nfs/dbraw/zinc/10/77/97/382107797.db2.gz WBQULCJMQXJRLF-GFCCVEGCSA-N 1 1 291.351 2.551 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)CC1 ZINC000293309749 382072911 /nfs/dbraw/zinc/07/29/11/382072911.db2.gz WZRWVJGAZHICLF-RYUDHWBXSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000301125217 382087767 /nfs/dbraw/zinc/08/77/67/382087767.db2.gz ZYONYQJURKIEGW-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO C[N@@H+](CCc1ccccc1O)Cc1cccc([N+](=O)[O-])c1 ZINC000344169976 382176053 /nfs/dbraw/zinc/17/60/53/382176053.db2.gz XTAIMXVKROMCMN-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293525833 382158158 /nfs/dbraw/zinc/15/81/58/382158158.db2.gz WNAKWAXLPYHCRT-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000301926339 382200603 /nfs/dbraw/zinc/20/06/03/382200603.db2.gz JGRLMUHPRQEYOW-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377540663 382287852 /nfs/dbraw/zinc/28/78/52/382287852.db2.gz ARVUHXZYKJBRKS-ZDUSSCGKSA-N 1 1 276.336 2.978 20 5 CFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956956 382309499 /nfs/dbraw/zinc/30/94/99/382309499.db2.gz YPEGTKLVGMEJLN-BBRMVZONSA-N 1 1 292.379 2.620 20 5 CFBDMO COc1cc(C[N@H+](C)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000352407248 382313916 /nfs/dbraw/zinc/31/39/16/382313916.db2.gz TUKUWVNSGDSWCG-UHFFFAOYSA-N 1 1 292.257 2.988 20 5 CFBDMO COc1cc(C[N@@H+](C)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000352407248 382313920 /nfs/dbraw/zinc/31/39/20/382313920.db2.gz TUKUWVNSGDSWCG-UHFFFAOYSA-N 1 1 292.257 2.988 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000346166009 382334418 /nfs/dbraw/zinc/33/44/18/382334418.db2.gz ARKYBXPSDICJLX-RYUDHWBXSA-N 1 1 295.358 2.648 20 5 CFBDMO C[C@H]1[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000419370041 382300411 /nfs/dbraw/zinc/30/04/11/382300411.db2.gz IYNKCLJZFQJMMZ-IJLUTSLNSA-N 1 1 291.351 2.510 20 5 CFBDMO Cc1c(C[NH2+][C@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355604 382380467 /nfs/dbraw/zinc/38/04/67/382380467.db2.gz CCMZEDZBUXVVFY-OAHLLOKOSA-N 1 1 291.395 2.900 20 5 CFBDMO COc1cc(C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352545480 382390352 /nfs/dbraw/zinc/39/03/52/382390352.db2.gz JJNONKZEKMMTDJ-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000352544936 382390807 /nfs/dbraw/zinc/39/08/07/382390807.db2.gz DULDGFCJFNDTDX-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000352544936 382390811 /nfs/dbraw/zinc/39/08/11/382390811.db2.gz DULDGFCJFNDTDX-LBPRGKRZSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@H](F)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559222 382396047 /nfs/dbraw/zinc/39/60/47/382396047.db2.gz CIPOESXENUGMCH-NSHDSACASA-N 1 1 254.305 2.817 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352628069 382423581 /nfs/dbraw/zinc/42/35/81/382423581.db2.gz IGDDIVBXUWGVAL-NXEZZACHSA-N 1 1 252.289 2.964 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000346616791 382439644 /nfs/dbraw/zinc/43/96/44/382439644.db2.gz PFFASESVROSJDN-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365799032 382446433 /nfs/dbraw/zinc/44/64/33/382446433.db2.gz WMRUAEVACZKLLP-LLVKDONJSA-N 1 1 291.307 2.735 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406844 382401509 /nfs/dbraw/zinc/40/15/09/382401509.db2.gz OCHNFXOINFPZES-FPMFFAJLSA-N 1 1 291.395 2.881 20 5 CFBDMO Cc1ccc([C@H](C)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420418634 382402827 /nfs/dbraw/zinc/40/28/27/382402827.db2.gz XBWQOSKNUFIEHT-STQMWFEESA-N 1 1 277.368 2.553 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000352617476 382419368 /nfs/dbraw/zinc/41/93/68/382419368.db2.gz DFXOQWCCNOFHCB-IUODEOHRSA-N 1 1 294.326 2.735 20 5 CFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000352780020 382470353 /nfs/dbraw/zinc/47/03/53/382470353.db2.gz RCBSEGAKFVBUES-ZOWXZIJZSA-N 1 1 278.352 2.667 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420935636 382500916 /nfs/dbraw/zinc/50/09/16/382500916.db2.gz HXDYJZLWTAGEON-FPMFFAJLSA-N 1 1 292.379 2.915 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294951786 382547514 /nfs/dbraw/zinc/54/75/14/382547514.db2.gz DCVILQVPDDUZHK-GFCCVEGCSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294969279 382557090 /nfs/dbraw/zinc/55/70/90/382557090.db2.gz ODXQDQMGVILSPF-GFCCVEGCSA-N 1 1 275.352 2.515 20 5 CFBDMO Cc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000353746793 382623729 /nfs/dbraw/zinc/62/37/29/382623729.db2.gz DIIHGFMKMGSHEU-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000353746793 382623731 /nfs/dbraw/zinc/62/37/31/382623731.db2.gz DIIHGFMKMGSHEU-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000189571379 382625904 /nfs/dbraw/zinc/62/59/04/382625904.db2.gz BUPHKUUDJCUDDN-CQSZACIVSA-N 1 1 278.352 2.639 20 5 CFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821497 382578586 /nfs/dbraw/zinc/57/85/86/382578586.db2.gz RRADFWIOCPZVOY-GWCFXTLKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CSCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000190443318 382668382 /nfs/dbraw/zinc/66/83/82/382668382.db2.gz PNSGVCJJFBVBRH-JTQLQIEISA-N 1 1 284.356 2.919 20 5 CFBDMO C[C@@H]1CSCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000190443318 382668383 /nfs/dbraw/zinc/66/83/83/382668383.db2.gz PNSGVCJJFBVBRH-JTQLQIEISA-N 1 1 284.356 2.919 20 5 CFBDMO C[C@H]1CSCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190460698 382669521 /nfs/dbraw/zinc/66/95/21/382669521.db2.gz ZKYRPTOZVMSVOS-GFCCVEGCSA-N 1 1 296.392 2.659 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193737100 382723801 /nfs/dbraw/zinc/72/38/01/382723801.db2.gz QWWQOBYJPLGEGV-JTQLQIEISA-N 1 1 281.312 2.981 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCC2)c(Cl)c1 ZINC000221148212 382797325 /nfs/dbraw/zinc/79/73/25/382797325.db2.gz FLEDKXCQSREFNX-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCC2)c(Cl)c1 ZINC000221148212 382797327 /nfs/dbraw/zinc/79/73/27/382797327.db2.gz FLEDKXCQSREFNX-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000223920916 382808119 /nfs/dbraw/zinc/80/81/19/382808119.db2.gz RDAITPYNTFJIDL-SNVBAGLBSA-N 1 1 261.281 2.742 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576189327 382813860 /nfs/dbraw/zinc/81/38/60/382813860.db2.gz BLUPZQDZTQWBDS-UHFFFAOYSA-N 1 1 292.383 2.546 20 5 CFBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000576238094 382815771 /nfs/dbraw/zinc/81/57/71/382815771.db2.gz SZGKSIAXLDSFEJ-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO COCC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000576323942 382818599 /nfs/dbraw/zinc/81/85/99/382818599.db2.gz GJCYSWNZVKTNJA-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO CC[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000227550057 382838091 /nfs/dbraw/zinc/83/80/91/382838091.db2.gz VNRFNXQMCOMVMP-UHFFFAOYSA-N 1 1 267.304 2.630 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000227649458 382839034 /nfs/dbraw/zinc/83/90/34/382839034.db2.gz SDCLUONARSURTD-RYUDHWBXSA-N 1 1 296.758 2.682 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228203009 382845599 /nfs/dbraw/zinc/84/55/99/382845599.db2.gz PQZPKYFDXNRNHM-RYUDHWBXSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000337941993 382875606 /nfs/dbraw/zinc/87/56/06/382875606.db2.gz IICMEYVALDEPAK-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000579106164 382983447 /nfs/dbraw/zinc/98/34/47/382983447.db2.gz NJTUTDQLXXICNQ-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](C)C1 ZINC000245405359 382998986 /nfs/dbraw/zinc/99/89/86/382998986.db2.gz SNKZXRDNIJAICU-VXGBXAGGSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000608886437 383133672 /nfs/dbraw/zinc/13/36/72/383133672.db2.gz VZPRIOVWJHEPAS-UHFFFAOYSA-N 1 1 293.367 2.820 20 5 CFBDMO Cc1c([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423398894 383081588 /nfs/dbraw/zinc/08/15/88/383081588.db2.gz PEAJBEYLERJWTR-JKOKRWQUSA-N 1 1 277.368 2.552 20 5 CFBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246637174 383088291 /nfs/dbraw/zinc/08/82/91/383088291.db2.gz WMZOCYKMPRBGOL-ABAIWWIYSA-N 1 1 292.335 2.541 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)[C@H](C)[NH3+] ZINC000423446072 383098960 /nfs/dbraw/zinc/09/89/60/383098960.db2.gz NQLLKSJJIQHDSP-QJPTWQEYSA-N 1 1 297.424 2.791 20 5 CFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)N ZINC000423446072 383098963 /nfs/dbraw/zinc/09/89/63/383098963.db2.gz NQLLKSJJIQHDSP-QJPTWQEYSA-N 1 1 297.424 2.791 20 5 CFBDMO Cc1noc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449276183 383195938 /nfs/dbraw/zinc/19/59/38/383195938.db2.gz BGSVGKMVVQBXAV-VHSXEESVSA-N 1 1 290.323 2.568 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248326839 383223478 /nfs/dbraw/zinc/22/34/78/383223478.db2.gz CCWAIAIAWPFFNI-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248337710 383224769 /nfs/dbraw/zinc/22/47/69/383224769.db2.gz HNYMPWZFXUWWIZ-NEPJUHHUSA-N 1 1 264.325 2.704 20 5 CFBDMO CC(C)CC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000519797889 383235279 /nfs/dbraw/zinc/23/52/79/383235279.db2.gz OTRMUAMWDBLLNX-CQSZACIVSA-N 1 1 292.379 2.750 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449504620 383341027 /nfs/dbraw/zinc/34/10/27/383341027.db2.gz QUCSNAMZISBGAC-NHYWBVRUSA-N 1 1 296.342 2.981 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000567994902 383343064 /nfs/dbraw/zinc/34/30/64/383343064.db2.gz XUYXITOYSQJFEZ-ZBFHGGJFSA-N 1 1 292.379 2.620 20 5 CFBDMO CC(C)OC1CC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459290488 383283484 /nfs/dbraw/zinc/28/34/84/383283484.db2.gz LIFAEOCREMDUDC-UHFFFAOYSA-N 1 1 278.352 2.983 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC(F)F)C2)cc1 ZINC000567722785 383306551 /nfs/dbraw/zinc/30/65/51/383306551.db2.gz ULMLALCANUUYAO-UHFFFAOYSA-N 1 1 256.252 2.682 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000524619783 383376774 /nfs/dbraw/zinc/37/67/74/383376774.db2.gz JGFXUHGKLXHWBE-GHMZBOCLSA-N 1 1 264.325 2.834 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000568763274 383435039 /nfs/dbraw/zinc/43/50/39/383435039.db2.gz DOBYRUYIQJWFSI-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[C@@H]1O)CC2 ZINC000569007231 383460667 /nfs/dbraw/zinc/46/06/67/383460667.db2.gz FMHAPKNEZJDEPE-CJNGLKHVSA-N 1 1 290.363 2.504 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000255114713 383476187 /nfs/dbraw/zinc/47/61/87/383476187.db2.gz JEBOHKIHTLCRFF-HJHHMULASA-N 1 1 276.336 2.719 20 5 CFBDMO Cc1ccc(C)c(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000429297216 383515650 /nfs/dbraw/zinc/51/56/50/383515650.db2.gz CUEGRTYPQVPLAU-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000430214466 383591115 /nfs/dbraw/zinc/59/11/15/383591115.db2.gz ZJVHOBNQSQXMNP-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000430214466 383591118 /nfs/dbraw/zinc/59/11/18/383591118.db2.gz ZJVHOBNQSQXMNP-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1ccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488536928 383556714 /nfs/dbraw/zinc/55/67/14/383556714.db2.gz XNSFCHPLYDHNMZ-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770649 383567682 /nfs/dbraw/zinc/56/76/82/383567682.db2.gz KSXKGUBJEIILMA-NWDGAFQWSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769392 383567935 /nfs/dbraw/zinc/56/79/35/383567935.db2.gz CPJPFXDNALULOE-BBRMVZONSA-N 1 1 292.379 2.620 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451540288 383638660 /nfs/dbraw/zinc/63/86/60/383638660.db2.gz GLLZJGOFQSELNP-XHDPSFHLSA-N 1 1 278.352 2.760 20 5 CFBDMO CC(C)(O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547136 383641057 /nfs/dbraw/zinc/64/10/57/383641057.db2.gz KGOQZDXXYQSWQF-AWEZNQCLSA-N 1 1 292.379 2.935 20 5 CFBDMO CC[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551778 383643904 /nfs/dbraw/zinc/64/39/04/383643904.db2.gz VGSOQOUKQVNKSM-ZFWWWQNUSA-N 1 1 278.352 2.545 20 5 CFBDMO CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552584 383645440 /nfs/dbraw/zinc/64/54/40/383645440.db2.gz YWXHEBDZNVQGJX-XHDPSFHLSA-N 1 1 296.342 2.981 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552584 383645441 /nfs/dbraw/zinc/64/54/41/383645441.db2.gz YWXHEBDZNVQGJX-XHDPSFHLSA-N 1 1 296.342 2.981 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000570715280 383628715 /nfs/dbraw/zinc/62/87/15/383628715.db2.gz CNSUDSBOYMJNPG-MRXNPFEDSA-N 1 1 290.363 2.638 20 5 CFBDMO Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000531066111 383815327 /nfs/dbraw/zinc/81/53/27/383815327.db2.gz MLWJGOGSCNMSBB-UHFFFAOYSA-N 1 1 292.383 2.609 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000532577124 384048105 /nfs/dbraw/zinc/04/81/05/384048105.db2.gz CXZIUTSLALPHQD-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474888 384033508 /nfs/dbraw/zinc/03/35/08/384033508.db2.gz WIFGKLLJUUZTRC-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474888 384033514 /nfs/dbraw/zinc/03/35/14/384033514.db2.gz WIFGKLLJUUZTRC-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474888 384033517 /nfs/dbraw/zinc/03/35/17/384033517.db2.gz WIFGKLLJUUZTRC-KGLIPLIRSA-N 1 1 291.395 2.896 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281111572 195107646 /nfs/dbraw/zinc/10/76/46/195107646.db2.gz BGRAWQUNHPJWQA-HNNXBMFYSA-N 1 1 278.352 2.904 20 5 CFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266564323 384199119 /nfs/dbraw/zinc/19/91/19/384199119.db2.gz ZCNXVFKUZNSZGK-VXGBXAGGSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](C)C1 ZINC000266780851 384237324 /nfs/dbraw/zinc/23/73/24/384237324.db2.gz ZUPXWOVHMCAFMJ-VXGBXAGGSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277440160 384302864 /nfs/dbraw/zinc/30/28/64/384302864.db2.gz DUYNUIBUHUPGTC-OAHLLOKOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277440160 384302873 /nfs/dbraw/zinc/30/28/73/384302873.db2.gz DUYNUIBUHUPGTC-OAHLLOKOSA-N 1 1 289.379 2.701 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123784093 285110433 /nfs/dbraw/zinc/11/04/33/285110433.db2.gz XTJKIRRPFVKZAI-AWEZNQCLSA-N 1 1 290.363 2.638 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000375854280 285111294 /nfs/dbraw/zinc/11/12/94/285111294.db2.gz SWLCHLHEYOWATH-CQSZACIVSA-N 1 1 286.335 2.528 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278312230 384524352 /nfs/dbraw/zinc/52/43/52/384524352.db2.gz WXOXQUPZCDOIHX-SNVBAGLBSA-N 1 1 281.312 2.979 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000268077142 384524904 /nfs/dbraw/zinc/52/49/04/384524904.db2.gz FHVPVOZSHOXFMD-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000268077142 384524914 /nfs/dbraw/zinc/52/49/14/384524914.db2.gz FHVPVOZSHOXFMD-KRWDZBQOSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246615761 285118117 /nfs/dbraw/zinc/11/81/17/285118117.db2.gz JQKJOKMGTXOKLY-NHYWBVRUSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000268077143 384525764 /nfs/dbraw/zinc/52/57/64/384525764.db2.gz FHVPVOZSHOXFMD-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000268077143 384525768 /nfs/dbraw/zinc/52/57/68/384525768.db2.gz FHVPVOZSHOXFMD-QGZVFWFLSA-N 1 1 298.342 2.687 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000279444287 384639429 /nfs/dbraw/zinc/63/94/29/384639429.db2.gz YWGPRKWMTVYCEC-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106433 384725107 /nfs/dbraw/zinc/72/51/07/384725107.db2.gz VFTYPKFVICRPGH-SMDDNHRTSA-N 1 1 293.342 2.654 20 5 CFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843025 384880693 /nfs/dbraw/zinc/88/06/93/384880693.db2.gz RUHIHWLOOCOUFB-JQWIXIFHSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270071935 384966419 /nfs/dbraw/zinc/96/64/19/384966419.db2.gz IEIAERBDCYOLJP-ZLDLUXBVSA-N 1 1 278.352 2.749 20 5 CFBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000270290590 385043111 /nfs/dbraw/zinc/04/31/11/385043111.db2.gz ODILAQNFSPUXOZ-ZBFHGGJFSA-N 1 1 298.346 2.847 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CO ZINC000270690571 385192270 /nfs/dbraw/zinc/19/22/70/385192270.db2.gz XKQHQOQCHUPLTH-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CO ZINC000270690571 385192275 /nfs/dbraw/zinc/19/22/75/385192275.db2.gz XKQHQOQCHUPLTH-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000493338000 285154194 /nfs/dbraw/zinc/15/41/94/285154194.db2.gz QGQZCGYQLAKBHO-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000292524373 285155161 /nfs/dbraw/zinc/15/51/61/285155161.db2.gz PHXUJXHWNVFJLX-NSHDSACASA-N 1 1 293.754 2.699 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000271133197 385346507 /nfs/dbraw/zinc/34/65/07/385346507.db2.gz ASDFGJSNVYIPKH-OAHLLOKOSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651974 385361710 /nfs/dbraw/zinc/36/17/10/385361710.db2.gz CIYVZMQRAHZIMJ-HUUCEWRRSA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000283293981 385453826 /nfs/dbraw/zinc/45/38/26/385453826.db2.gz YCVRJEZRCZNGDU-DGCLKSJQSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284019896 385525057 /nfs/dbraw/zinc/52/50/57/385525057.db2.gz OHMUPHMKDYXNFF-HNNXBMFYSA-N 1 1 278.352 2.576 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272623674 385578411 /nfs/dbraw/zinc/57/84/11/385578411.db2.gz YVDTVOSWCVQGBU-NWDGAFQWSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681216 385586733 /nfs/dbraw/zinc/58/67/33/385586733.db2.gz RYQYGTYYDVVORQ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681216 385586737 /nfs/dbraw/zinc/58/67/37/385586737.db2.gz RYQYGTYYDVVORQ-GWCFXTLKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](CCOC1CCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000286753584 385703687 /nfs/dbraw/zinc/70/36/87/385703687.db2.gz FLTCQPOENPVUET-UHFFFAOYSA-N 1 1 278.352 2.638 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350673 385773368 /nfs/dbraw/zinc/77/33/68/385773368.db2.gz XAOUTPBKOXVZFH-VIFPVBQESA-N 1 1 268.288 2.584 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350673 385773372 /nfs/dbraw/zinc/77/33/72/385773372.db2.gz XAOUTPBKOXVZFH-VIFPVBQESA-N 1 1 268.288 2.584 20 5 CFBDMO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253603 533430632 /nfs/dbraw/zinc/43/06/32/533430632.db2.gz ZCEWJQRILJYFBI-WBMJQRKESA-N 1 1 285.347 2.945 20 5 CFBDMO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414886888 533579746 /nfs/dbraw/zinc/57/97/46/533579746.db2.gz QBHMHYQGAKGTQG-NSHDSACASA-N 1 1 289.335 2.682 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983693 130170050 /nfs/dbraw/zinc/17/00/50/130170050.db2.gz UNZFUKQRMUFQSV-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342050657 130222242 /nfs/dbraw/zinc/22/22/42/130222242.db2.gz RNBABLXQIGUVEL-HNNXBMFYSA-N 1 1 292.379 2.764 20 5 CFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000355361413 130290144 /nfs/dbraw/zinc/29/01/44/130290144.db2.gz HNUIOAODZRBEBJ-XQRVVYSFSA-N 1 1 298.346 2.573 20 5 CFBDMO COc1cc(Cn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000355431851 130304340 /nfs/dbraw/zinc/30/43/40/130304340.db2.gz ILXYJHXGMNCNOX-UHFFFAOYSA-N 1 1 275.308 2.972 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268541588 132025248 /nfs/dbraw/zinc/02/52/48/132025248.db2.gz ZNLKWUXWYZTDSZ-UHFFFAOYSA-N 1 1 289.339 2.695 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000183279434 393518959 /nfs/dbraw/zinc/51/89/59/393518959.db2.gz FPNGNKYXIHUHBY-RYUDHWBXSA-N 1 1 264.325 2.512 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000183279434 393518964 /nfs/dbraw/zinc/51/89/64/393518964.db2.gz FPNGNKYXIHUHBY-RYUDHWBXSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146364 393624376 /nfs/dbraw/zinc/62/43/76/393624376.db2.gz ZFMMOBFFZQXRQG-CHWSQXEVSA-N 1 1 290.363 2.768 20 5 CFBDMO Cc1c(C[N@@H+](C)CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000088601528 393763794 /nfs/dbraw/zinc/76/37/94/393763794.db2.gz ROSGAXMEABNWNI-UHFFFAOYSA-N 1 1 278.352 2.762 20 5 CFBDMO CC(C)(N)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808842 393805925 /nfs/dbraw/zinc/80/59/25/393805925.db2.gz UKBYYCGQQTWFRQ-OCCSQVGLSA-N 1 1 291.395 2.633 20 5 CFBDMO C[C@@H]1SCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118415777 393911011 /nfs/dbraw/zinc/91/10/11/393911011.db2.gz AMDOJGITLYVHAJ-QWRGUYRKSA-N 1 1 266.366 2.921 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002901 393912447 /nfs/dbraw/zinc/91/24/47/393912447.db2.gz MDFXCFKZXDBKRZ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119002901 393912450 /nfs/dbraw/zinc/91/24/50/393912450.db2.gz MDFXCFKZXDBKRZ-MFKMUULPSA-N 1 1 298.770 2.984 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@H](C)C1 ZINC000470172702 393899061 /nfs/dbraw/zinc/89/90/61/393899061.db2.gz AJTIZBGOCLLENA-YLHGKKIISA-N 1 1 290.363 2.966 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000119720359 393923848 /nfs/dbraw/zinc/92/38/48/393923848.db2.gz YMGGRGDQGRHIOK-PXYYCUNGSA-N 1 1 290.363 2.966 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548304 393932365 /nfs/dbraw/zinc/93/23/65/393932365.db2.gz PYEAFUUMGYGPRW-BJJXKVORSA-N 1 1 289.379 2.872 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000252647882 393937689 /nfs/dbraw/zinc/93/76/89/393937689.db2.gz UVKVZUSXEAUBKQ-IHRRRGAJSA-N 1 1 289.379 2.872 20 5 CFBDMO Cc1oncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429263873 393949733 /nfs/dbraw/zinc/94/97/33/393949733.db2.gz AUNHFZLAYGSPIH-UHFFFAOYSA-N 1 1 275.308 2.916 20 5 CFBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119497896 393920416 /nfs/dbraw/zinc/92/04/16/393920416.db2.gz MIFMGGYGCARDRE-WDEREUQCSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119497896 393920418 /nfs/dbraw/zinc/92/04/18/393920418.db2.gz MIFMGGYGCARDRE-WDEREUQCSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213686 393969085 /nfs/dbraw/zinc/96/90/85/393969085.db2.gz UWNZOEVYKKAPLR-GFCCVEGCSA-N 1 1 264.325 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000430228255 393970949 /nfs/dbraw/zinc/97/09/49/393970949.db2.gz RRTJREXMMNKIFG-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1[nH+]ccn1CCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000124679933 393998341 /nfs/dbraw/zinc/99/83/41/393998341.db2.gz PXMJMOXCZKBZHO-UHFFFAOYSA-N 1 1 290.323 2.662 20 5 CFBDMO C[NH+](C)C(C)(C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228942 394059839 /nfs/dbraw/zinc/05/98/39/394059839.db2.gz JYCSYSCNCZITTK-OAHLLOKOSA-N 1 1 291.395 2.902 20 5 CFBDMO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000492434369 394068213 /nfs/dbraw/zinc/06/82/13/394068213.db2.gz CGVPSGHFANVAOD-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO CC(C)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487966636 394034217 /nfs/dbraw/zinc/03/42/17/394034217.db2.gz XFPZFTKDXSETPR-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO CC[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000419220988 394034234 /nfs/dbraw/zinc/03/42/34/394034234.db2.gz AJTNVYHWDQUHED-OAHLLOKOSA-N 1 1 278.352 2.984 20 5 CFBDMO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000286011248 394179244 /nfs/dbraw/zinc/17/92/44/394179244.db2.gz FDNGOYJIIMUGCQ-NWDGAFQWSA-N 1 1 292.383 2.709 20 5 CFBDMO CC[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420957733 394140833 /nfs/dbraw/zinc/14/08/33/394140833.db2.gz OSWWHNXIEVHSRM-GJZGRUSLSA-N 1 1 278.352 2.984 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCCCO)C1CC1 ZINC000135219892 394212457 /nfs/dbraw/zinc/21/24/57/394212457.db2.gz JBNNYXWZUPZZCH-UHFFFAOYSA-N 1 1 278.352 2.722 20 5 CFBDMO CC[C@@H](C)[N@H+](C)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118615 394218940 /nfs/dbraw/zinc/21/89/40/394218940.db2.gz TXWNDBSUBPCIIO-ZIAGYGMSSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118615 394218943 /nfs/dbraw/zinc/21/89/43/394218943.db2.gz TXWNDBSUBPCIIO-ZIAGYGMSSA-N 1 1 293.411 2.846 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292867940 394277835 /nfs/dbraw/zinc/27/78/35/394277835.db2.gz STPUHMCVDJENBD-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526029 394290121 /nfs/dbraw/zinc/29/01/21/394290121.db2.gz KWVCUKXMQUWPKQ-IAQYHMDHSA-N 1 1 277.368 2.763 20 5 CFBDMO C[C@@]1(F)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451123150 394361116 /nfs/dbraw/zinc/36/11/16/394361116.db2.gz UMUOYBFGABDQEZ-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO C[C@@]1(F)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451123150 394361117 /nfs/dbraw/zinc/36/11/17/394361117.db2.gz UMUOYBFGABDQEZ-CQSZACIVSA-N 1 1 282.315 2.798 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198286 394362277 /nfs/dbraw/zinc/36/22/77/394362277.db2.gz ALQMEQRHCGHJSB-SMDDNHRTSA-N 1 1 264.325 2.503 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)CO ZINC000451242594 394370110 /nfs/dbraw/zinc/37/01/10/394370110.db2.gz IZILCCCZUITXSX-LLVKDONJSA-N 1 1 266.341 2.606 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)C ZINC000519642015 394373206 /nfs/dbraw/zinc/37/32/06/394373206.db2.gz HUOKZZLABFIVMR-UHFFFAOYSA-N 1 1 293.367 2.962 20 5 CFBDMO CC(C)C[C@]1(C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451292272 394374347 /nfs/dbraw/zinc/37/43/47/394374347.db2.gz SMUFTBZWXUFONX-AWEZNQCLSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1ccc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000175066451 394380376 /nfs/dbraw/zinc/38/03/76/394380376.db2.gz YJVVLMJOXAULIE-UHFFFAOYSA-N 1 1 275.352 2.578 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000178172165 394386544 /nfs/dbraw/zinc/38/65/44/394386544.db2.gz XCOLLKDOWXBVNM-WCQYABFASA-N 1 1 292.383 2.831 20 5 CFBDMO CC1(C)CC[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000547833706 394895174 /nfs/dbraw/zinc/89/51/74/394895174.db2.gz WFGZHFHURJMXMX-CYBMUJFWSA-N 1 1 290.363 2.911 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000556083106 394989113 /nfs/dbraw/zinc/98/91/13/394989113.db2.gz IPAMSGQZACYLRB-LBPRGKRZSA-N 1 1 277.368 2.682 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ncccc2O)C2CC2)cc1 ZINC000558397923 395058222 /nfs/dbraw/zinc/05/82/22/395058222.db2.gz NMZJUCBLIWDLKK-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ncccc2O)C2CC2)cc1 ZINC000558397923 395058224 /nfs/dbraw/zinc/05/82/24/395058224.db2.gz NMZJUCBLIWDLKK-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000356172389 155177161 /nfs/dbraw/zinc/17/71/61/155177161.db2.gz NRGOEXKXNWNNHV-SNVBAGLBSA-N 1 1 296.346 2.602 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000356172381 155177226 /nfs/dbraw/zinc/17/72/26/155177226.db2.gz NRGOEXKXNWNNHV-JTQLQIEISA-N 1 1 296.346 2.602 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464695807 286220833 /nfs/dbraw/zinc/22/08/33/286220833.db2.gz WJSGQWGGHARNPM-ZJUUUORDSA-N 1 1 282.315 2.973 20 5 CFBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000356797525 155371469 /nfs/dbraw/zinc/37/14/69/155371469.db2.gz FRZXONFXTOKCET-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO CCCCC[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362949732 156123305 /nfs/dbraw/zinc/12/33/05/156123305.db2.gz SIACLWLBWGBUJQ-CYBMUJFWSA-N 1 1 280.372 2.836 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959308 156126920 /nfs/dbraw/zinc/12/69/20/156126920.db2.gz XPMGBVXVJCSSRZ-RYUDHWBXSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC12CCC2 ZINC000366775675 156237870 /nfs/dbraw/zinc/23/78/70/156237870.db2.gz KZNNJBSDWRKRGX-UHFFFAOYSA-N 1 1 276.336 2.992 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000366841511 156246172 /nfs/dbraw/zinc/24/61/72/156246172.db2.gz AVMBPTHEHWRGGK-AWEZNQCLSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909988 157045547 /nfs/dbraw/zinc/04/55/47/157045547.db2.gz MMYXBSQYHJRELQ-MLGOLLRUSA-N 1 1 290.363 2.811 20 5 CFBDMO CO[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374681789 157148833 /nfs/dbraw/zinc/14/88/33/157148833.db2.gz WXWSSVRLOGHRII-HNNXBMFYSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1c(C[N@H+]2CC(C)(C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408360828 157394824 /nfs/dbraw/zinc/39/48/24/157394824.db2.gz ZONUZNZCVNFRJD-NSHDSACASA-N 1 1 278.352 2.903 20 5 CFBDMO Cc1c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408360828 157394828 /nfs/dbraw/zinc/39/48/28/157394828.db2.gz ZONUZNZCVNFRJD-NSHDSACASA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000344301405 162000923 /nfs/dbraw/zinc/00/09/23/162000923.db2.gz KFQOIYVWYQALEB-IINYFYTJSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000344301405 162000925 /nfs/dbraw/zinc/00/09/25/162000925.db2.gz KFQOIYVWYQALEB-IINYFYTJSA-N 1 1 297.786 2.821 20 5 CFBDMO CC(C)c1ccc(C[N@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000350050743 163053492 /nfs/dbraw/zinc/05/34/92/163053492.db2.gz FZTJEHDSDXCZKB-UHFFFAOYSA-N 1 1 280.368 2.921 20 5 CFBDMO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603406 163155720 /nfs/dbraw/zinc/15/57/20/163155720.db2.gz LEPBWBFKIYTFOM-QZPNVGJNSA-N 1 1 273.292 2.947 20 5 CFBDMO COc1cc(C[N@H+](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000352766445 163231499 /nfs/dbraw/zinc/23/14/99/163231499.db2.gz CNJHBYRPDFUNKS-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000352766445 163231503 /nfs/dbraw/zinc/23/15/03/163231503.db2.gz CNJHBYRPDFUNKS-UHFFFAOYSA-N 1 1 287.319 2.630 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352780462 163231904 /nfs/dbraw/zinc/23/19/04/163231904.db2.gz UMLRHZYJNVGHFR-ZDUSSCGKSA-N 1 1 276.336 2.835 20 5 CFBDMO COc1cc(C[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000352780792 163233199 /nfs/dbraw/zinc/23/31/99/163233199.db2.gz VSJPNWODYYHSCS-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352890219 163261893 /nfs/dbraw/zinc/26/18/93/163261893.db2.gz XELYJDZAXBJBKY-OAHLLOKOSA-N 1 1 296.342 2.861 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353091789 163304451 /nfs/dbraw/zinc/30/44/51/163304451.db2.gz IGCTUILLQQHHAG-GFCCVEGCSA-N 1 1 297.374 2.944 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353093612 163306447 /nfs/dbraw/zinc/30/64/47/163306447.db2.gz MKFCKPMBTUSERF-LLVKDONJSA-N 1 1 283.347 2.552 20 5 CFBDMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000353408726 163359736 /nfs/dbraw/zinc/35/97/36/163359736.db2.gz VAPGOPZNGMXGHH-DZKIICNBSA-N 1 1 289.379 2.557 20 5 CFBDMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000353408726 163359739 /nfs/dbraw/zinc/35/97/39/163359739.db2.gz VAPGOPZNGMXGHH-DZKIICNBSA-N 1 1 289.379 2.557 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000353755932 163444655 /nfs/dbraw/zinc/44/46/55/163444655.db2.gz TUSBMWHUSFRPDJ-YPMHNXCESA-N 1 1 297.424 2.961 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369381964 287144739 /nfs/dbraw/zinc/14/47/39/287144739.db2.gz TZZABYXSABNTAR-CLJRNHLWSA-N 1 1 290.363 2.749 20 5 CFBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000285336887 196254903 /nfs/dbraw/zinc/25/49/03/196254903.db2.gz KFFMERPLYHSGPF-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000285336887 196254905 /nfs/dbraw/zinc/25/49/05/196254905.db2.gz KFFMERPLYHSGPF-TXEJJXNPSA-N 1 1 284.743 2.857 20 5 CFBDMO C[N@@H+](CCc1ccccn1)CCc1ccccc1[N+](=O)[O-] ZINC000285355993 196259632 /nfs/dbraw/zinc/25/96/32/196259632.db2.gz PXHMFVXMERXMHF-UHFFFAOYSA-N 1 1 285.347 2.707 20 5 CFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000285443999 196285603 /nfs/dbraw/zinc/28/56/03/196285603.db2.gz IJXHPMDVOHHNIP-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000285459781 196290749 /nfs/dbraw/zinc/29/07/49/196290749.db2.gz TZRJSLBDGRGQNL-BETUJISGSA-N 1 1 264.325 2.512 20 5 CFBDMO C[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000038028737 174018527 /nfs/dbraw/zinc/01/85/27/174018527.db2.gz OHICSNKWMYZVMS-CYBMUJFWSA-N 1 1 277.368 2.559 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040503269 174299861 /nfs/dbraw/zinc/29/98/61/174299861.db2.gz OXBZCPCPMHUNFA-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044572617 175210337 /nfs/dbraw/zinc/21/03/37/175210337.db2.gz ABMYWOAWWWWLKI-JTQLQIEISA-N 1 1 267.304 2.629 20 5 CFBDMO CC[C@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000071273081 176104990 /nfs/dbraw/zinc/10/49/90/176104990.db2.gz BYZMDPMAKAPEHG-ZDUSSCGKSA-N 1 1 274.324 2.569 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514953423 270359282 /nfs/dbraw/zinc/35/92/82/270359282.db2.gz WJIYCUJSPUDZLY-DOMZBBRYSA-N 1 1 291.395 2.902 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000266231252 275036861 /nfs/dbraw/zinc/03/68/61/275036861.db2.gz JMVKKJIDFSJZDI-GFCCVEGCSA-N 1 1 293.754 2.699 20 5 CFBDMO CC(C)[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488011663 276032608 /nfs/dbraw/zinc/03/26/08/276032608.db2.gz RVKJYQQLGYTOOK-XJKSGUPXSA-N 1 1 291.395 2.928 20 5 CFBDMO CCC(CC)[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289552469 276210317 /nfs/dbraw/zinc/21/03/17/276210317.db2.gz XGLNSFXECJNXNU-UHFFFAOYSA-N 1 1 293.367 2.704 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266639948 276308150 /nfs/dbraw/zinc/30/81/50/276308150.db2.gz TUQDBZWNHYKNDL-ZIAGYGMSSA-N 1 1 291.395 2.929 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000227344668 277070112 /nfs/dbraw/zinc/07/01/12/277070112.db2.gz FONZXADCSPTZQT-DGCLKSJQSA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000347567507 277109100 /nfs/dbraw/zinc/10/91/00/277109100.db2.gz NNDKGSVQMYRQTM-UHFFFAOYSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000222455808 277627071 /nfs/dbraw/zinc/62/70/71/277627071.db2.gz OKXHZSNRIBERSF-VHSXEESVSA-N 1 1 260.297 2.730 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105601 278376223 /nfs/dbraw/zinc/37/62/23/278376223.db2.gz UNGBEMAHXUZUDS-ZYHUDNBSSA-N 1 1 286.335 2.526 20 5 CFBDMO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037126563 279079546 /nfs/dbraw/zinc/07/95/46/279079546.db2.gz ZPISZMYENUEDDU-NEPJUHHUSA-N 1 1 293.367 2.502 20 5 CFBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000112659880 279235825 /nfs/dbraw/zinc/23/58/25/279235825.db2.gz OTGIPYHQQNYOLM-LLVKDONJSA-N 1 1 293.367 2.560 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160136947 280101239 /nfs/dbraw/zinc/10/12/39/280101239.db2.gz WQLGFISXHFGVSD-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160136947 280101241 /nfs/dbraw/zinc/10/12/41/280101241.db2.gz WQLGFISXHFGVSD-OLZOCXBDSA-N 1 1 279.384 2.976 20 5 CFBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301342290 280375618 /nfs/dbraw/zinc/37/56/18/280375618.db2.gz IPYQCHOKRZZBNW-BFHYXJOUSA-N 1 1 287.363 2.515 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000351877549 281011106 /nfs/dbraw/zinc/01/11/06/281011106.db2.gz MMOSAFDKTFDSON-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000248333904 281019322 /nfs/dbraw/zinc/01/93/22/281019322.db2.gz FXNPNDRCBFOKOO-QWRGUYRKSA-N 1 1 292.335 2.692 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249588015 281063411 /nfs/dbraw/zinc/06/34/11/281063411.db2.gz ULTLJJGHHXSGKU-HUBLWGQQSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733202 281208176 /nfs/dbraw/zinc/20/81/76/281208176.db2.gz JRFSGHNFUFQXES-GHMZBOCLSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733202 281208177 /nfs/dbraw/zinc/20/81/77/281208177.db2.gz JRFSGHNFUFQXES-GHMZBOCLSA-N 1 1 298.770 2.699 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000430239388 281232663 /nfs/dbraw/zinc/23/26/63/281232663.db2.gz MAFHEFIHTFJTIV-CYBMUJFWSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000430239388 281232665 /nfs/dbraw/zinc/23/26/65/281232665.db2.gz MAFHEFIHTFJTIV-CYBMUJFWSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332344258 288324863 /nfs/dbraw/zinc/32/48/63/288324863.db2.gz XTTJKWJQYOMSKJ-HFBAOOFYSA-N 1 1 289.379 2.560 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000560435757 282026858 /nfs/dbraw/zinc/02/68/58/282026858.db2.gz DYYNSAYKSKOOPB-LLVKDONJSA-N 1 1 288.351 2.830 20 5 CFBDMO Cc1c(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000560435757 282026859 /nfs/dbraw/zinc/02/68/59/282026859.db2.gz DYYNSAYKSKOOPB-LLVKDONJSA-N 1 1 288.351 2.830 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000563079888 290100963 /nfs/dbraw/zinc/10/09/63/290100963.db2.gz BRFRGCDGOHTDHQ-UHFFFAOYSA-N 1 1 252.314 2.704 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563811836 290175909 /nfs/dbraw/zinc/17/59/09/290175909.db2.gz ONWWPEGLNNOARJ-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563811836 290175912 /nfs/dbraw/zinc/17/59/12/290175912.db2.gz ONWWPEGLNNOARJ-MRXNPFEDSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000564917656 290249603 /nfs/dbraw/zinc/24/96/03/290249603.db2.gz ZUZNPOOYRUXYNX-CABCVRRESA-N 1 1 290.363 2.986 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489269755 290267803 /nfs/dbraw/zinc/26/78/03/290267803.db2.gz VENZLXKFEDDQAH-IAQYHMDHSA-N 1 1 276.336 2.503 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000426525977 533825323 /nfs/dbraw/zinc/82/53/23/533825323.db2.gz SWYHZUTVVMQOAS-CHWSQXEVSA-N 1 1 276.336 2.978 20 5 CFBDMO C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422920627 533844807 /nfs/dbraw/zinc/84/48/07/533844807.db2.gz MJEOXGKTCVNMEE-XJKSGUPXSA-N 1 1 291.395 2.648 20 5 CFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114893 519853332 /nfs/dbraw/zinc/85/33/32/519853332.db2.gz CRBBHUFYPMQQTD-OAHLLOKOSA-N 1 1 291.395 2.867 20 5 CFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114893 519853333 /nfs/dbraw/zinc/85/33/33/519853333.db2.gz CRBBHUFYPMQQTD-OAHLLOKOSA-N 1 1 291.395 2.867 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072859485 520255058 /nfs/dbraw/zinc/25/50/58/520255058.db2.gz RUVNSTIUJYISPE-GFCCVEGCSA-N 1 1 295.358 2.508 20 5 CFBDMO CC[N@@H+](CCNc1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC000313055993 521085966 /nfs/dbraw/zinc/08/59/66/521085966.db2.gz HWKZRYURSMQGAH-UHFFFAOYSA-N 1 1 281.331 2.939 20 5 CFBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361597376 521309727 /nfs/dbraw/zinc/30/97/27/521309727.db2.gz YHJPASSIDCSXEA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361597376 521309737 /nfs/dbraw/zinc/30/97/37/521309737.db2.gz YHJPASSIDCSXEA-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668674 521603373 /nfs/dbraw/zinc/60/33/73/521603373.db2.gz RSEUSMVYABGAGV-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443233 521659019 /nfs/dbraw/zinc/65/90/19/521659019.db2.gz QLOYMEHLWVEFLL-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443233 521659022 /nfs/dbraw/zinc/65/90/22/521659022.db2.gz QLOYMEHLWVEFLL-ZDUSSCGKSA-N 1 1 297.786 2.822 20 5 CFBDMO CN(C(=O)C[N@@H+](C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000339257059 522425157 /nfs/dbraw/zinc/42/51/57/522425157.db2.gz VSZFUGHAKHRMKJ-UHFFFAOYSA-N 1 1 293.367 2.536 20 5 CFBDMO COc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000312429670 522760918 /nfs/dbraw/zinc/76/09/18/522760918.db2.gz SJAKFFMVOJOYAM-NSHDSACASA-N 1 1 281.356 2.744 20 5 CFBDMO CC[C@@H](N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576510 522909963 /nfs/dbraw/zinc/90/99/63/522909963.db2.gz FXOVZXBZHRHKNK-SMDDNHRTSA-N 1 1 265.357 2.586 20 5 CFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000075860271 522927646 /nfs/dbraw/zinc/92/76/46/522927646.db2.gz NYCRVZZHLGZSBL-HNNXBMFYSA-N 1 1 291.395 2.901 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCOCC1 ZINC000155925215 523273912 /nfs/dbraw/zinc/27/39/12/523273912.db2.gz VEEJLXYHBAALCH-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000076073146 523279581 /nfs/dbraw/zinc/27/95/81/523279581.db2.gz FYGHXJJGGFLGMV-LBPRGKRZSA-N 1 1 296.392 2.801 20 5 CFBDMO CO[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182382444 523409207 /nfs/dbraw/zinc/40/92/07/523409207.db2.gz FECAQEUJZSWKIM-NSHDSACASA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609305 525320740 /nfs/dbraw/zinc/32/07/40/525320740.db2.gz OAHFZFAQZKEBOT-NEPJUHHUSA-N 1 1 275.352 2.940 20 5 CFBDMO Cc1cccnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071339561 525525056 /nfs/dbraw/zinc/52/50/56/525525056.db2.gz ZQWVVNLKONCZCY-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO Cc1ccnc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000070495961 525689964 /nfs/dbraw/zinc/68/99/64/525689964.db2.gz YMBPAYQSTWFJFH-YHWZYXNKSA-N 1 1 290.367 2.583 20 5 CFBDMO Cc1ccnc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360263322 525692553 /nfs/dbraw/zinc/69/25/53/525692553.db2.gz BAQQHNFLWLSTMI-STQMWFEESA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1c(C[NH2+]C2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000314860592 525722642 /nfs/dbraw/zinc/72/26/42/525722642.db2.gz JJGMDSPABWDEIY-UHFFFAOYSA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccncc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000361421720 525735628 /nfs/dbraw/zinc/73/56/28/525735628.db2.gz IQNKAVJMTXHELJ-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)c1 ZINC000084726518 526060361 /nfs/dbraw/zinc/06/03/61/526060361.db2.gz WJNUWZYUWLLCRW-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373279304 526078344 /nfs/dbraw/zinc/07/83/44/526078344.db2.gz SJBUFZXARQHQLO-NHYWBVRUSA-N 1 1 276.336 2.503 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000452092842 536525547 /nfs/dbraw/zinc/52/55/47/536525547.db2.gz URJOMLAGCBIZSL-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413308873 527992250 /nfs/dbraw/zinc/99/22/50/527992250.db2.gz KQWSIKVSGQHDLZ-SNVBAGLBSA-N 1 1 284.335 2.661 20 5 CFBDMO CC(C)c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414841935 528100200 /nfs/dbraw/zinc/10/02/00/528100200.db2.gz ZSLQVSOFFYDIOB-AWEZNQCLSA-N 1 1 291.395 2.807 20 5 CFBDMO CC(C)[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803129 528823411 /nfs/dbraw/zinc/82/34/11/528823411.db2.gz MIBJHOMLARTHLA-INIZCTEOSA-N 1 1 291.395 2.902 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803129 528823419 /nfs/dbraw/zinc/82/34/19/528823419.db2.gz MIBJHOMLARTHLA-INIZCTEOSA-N 1 1 291.395 2.902 20 5 CFBDMO CC1(C)[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000444647360 535043707 /nfs/dbraw/zinc/04/37/07/535043707.db2.gz DRMHZJVNNIIOFL-PHIMTYICSA-N 1 1 286.335 2.559 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000444647360 535043711 /nfs/dbraw/zinc/04/37/11/535043711.db2.gz DRMHZJVNNIIOFL-PHIMTYICSA-N 1 1 286.335 2.559 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754372891 574091339 /nfs/dbraw/zinc/09/13/39/574091339.db2.gz MPRMRPHMRNAQJR-LLVKDONJSA-N 1 1 297.786 2.774 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900287 574135466 /nfs/dbraw/zinc/13/54/66/574135466.db2.gz GLBWSOPTHRNHEV-LBPRGKRZSA-N 1 1 286.335 2.758 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059957 574157062 /nfs/dbraw/zinc/15/70/62/574157062.db2.gz ZMVLBDXGYZFPFL-WCQYABFASA-N 1 1 266.345 2.649 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059955 574157087 /nfs/dbraw/zinc/15/70/87/574157087.db2.gz ZMVLBDXGYZFPFL-DGCLKSJQSA-N 1 1 266.345 2.649 20 5 CFBDMO Cc1nn(C[N@@H+](C)CCC2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000746637051 574159495 /nfs/dbraw/zinc/15/94/95/574159495.db2.gz JICVELIKGRYRIW-UHFFFAOYSA-N 1 1 288.351 2.942 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000756903000 574271920 /nfs/dbraw/zinc/27/19/20/574271920.db2.gz GVGNDJQMAZOUEW-CQSZACIVSA-N 1 1 296.754 2.861 20 5 CFBDMO CCCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750039230 574322090 /nfs/dbraw/zinc/32/20/90/574322090.db2.gz HPVPCYFGVGXCEJ-HNNXBMFYSA-N 1 1 278.352 2.893 20 5 CFBDMO CC[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056158 574322831 /nfs/dbraw/zinc/32/28/31/574322831.db2.gz YBEKQHVELCOXRO-JSGCOSHPSA-N 1 1 264.325 2.503 20 5 CFBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000750093815 574324117 /nfs/dbraw/zinc/32/41/17/574324117.db2.gz VGSKYZVTQXDZBN-OAHLLOKOSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000891642839 617693971 /nfs/dbraw/zinc/69/39/71/617693971.db2.gz DKYFAZCOZHZYRN-VIFPVBQESA-N 1 1 280.324 2.539 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](CC2CC2)C(C)C)c1[N+](=O)[O-] ZINC000891684456 617708863 /nfs/dbraw/zinc/70/88/63/617708863.db2.gz UMQPKVUJDDDQLX-UHFFFAOYSA-N 1 1 294.351 2.929 20 5 CFBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891706372 617720425 /nfs/dbraw/zinc/72/04/25/617720425.db2.gz NDGYCERHYMUWBK-LLVKDONJSA-N 1 1 294.351 2.931 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000891932433 617833152 /nfs/dbraw/zinc/83/31/52/617833152.db2.gz CGVIYESOOYNNHM-LBPRGKRZSA-N 1 1 292.335 2.683 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000891456955 618221690 /nfs/dbraw/zinc/22/16/90/618221690.db2.gz NWADGOYTZJNPKO-SNVBAGLBSA-N 1 1 280.324 2.683 20 5 CFBDMO Cc1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000312465839 618282211 /nfs/dbraw/zinc/28/22/11/618282211.db2.gz CFOYGRZPNWTNBU-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO CC[N@H+]1[C@H](C)CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000895099261 618290936 /nfs/dbraw/zinc/29/09/36/618290936.db2.gz FSXAVZQTIOPAEY-AOOOYVTPSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[N@@H+]1[C@H](C)CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000895099261 618290941 /nfs/dbraw/zinc/29/09/41/618290941.db2.gz FSXAVZQTIOPAEY-AOOOYVTPSA-N 1 1 298.774 2.562 20 5 CFBDMO CC[C@@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091733 618489039 /nfs/dbraw/zinc/48/90/39/618489039.db2.gz AGWHBKDIJQDKNH-GJZGRUSLSA-N 1 1 278.352 2.750 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCC[C@H]1O ZINC000895439091 618586829 /nfs/dbraw/zinc/58/68/29/618586829.db2.gz VULNWMCTAUQZJA-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000930562580 618865230 /nfs/dbraw/zinc/86/52/30/618865230.db2.gz ZCKKMROTOOWTBD-LBPRGKRZSA-N 1 1 286.784 2.783 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000930562580 618865231 /nfs/dbraw/zinc/86/52/31/618865231.db2.gz ZCKKMROTOOWTBD-LBPRGKRZSA-N 1 1 286.784 2.783 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582029 618931162 /nfs/dbraw/zinc/93/11/62/618931162.db2.gz OPFIKUIUKYPZCY-OCCSQVGLSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000093063389 618976783 /nfs/dbraw/zinc/97/67/83/618976783.db2.gz PYUBAQJFPHFRKE-UHFFFAOYSA-N 1 1 289.360 2.830 20 5 CFBDMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000049480612 619052174 /nfs/dbraw/zinc/05/21/74/619052174.db2.gz IOIGBYGCMHLQCK-SECBINFHSA-N 1 1 299.758 2.917 20 5 CFBDMO COc1c(O)ccc(C[N@@H+]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000893663644 619149370 /nfs/dbraw/zinc/14/93/70/619149370.db2.gz JZRSNHMEXJWTMX-UHFFFAOYSA-N 1 1 292.335 2.685 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000893663644 619149371 /nfs/dbraw/zinc/14/93/71/619149371.db2.gz JZRSNHMEXJWTMX-UHFFFAOYSA-N 1 1 292.335 2.685 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2Cc3c[nH+]cn3C2)c(C(F)F)c1 ZINC000894997640 619524652 /nfs/dbraw/zinc/52/46/52/619524652.db2.gz WTCMNNHNXUYTPO-QMMMGPOBSA-N 1 1 294.261 2.766 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](CF)C1 ZINC000895575369 619558389 /nfs/dbraw/zinc/55/83/89/619558389.db2.gz SEVTXLFDFGYPTN-OGOUPESXSA-N 1 1 264.300 2.899 20 5 CFBDMO CNc1cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000896794143 619820514 /nfs/dbraw/zinc/82/05/14/619820514.db2.gz RFGZZKKKDYWKGZ-SNVBAGLBSA-N 1 1 287.323 2.642 20 5 CFBDMO CNc1cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000896794143 619820519 /nfs/dbraw/zinc/82/05/19/619820519.db2.gz RFGZZKKKDYWKGZ-SNVBAGLBSA-N 1 1 287.323 2.642 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000767907167 625744467 /nfs/dbraw/zinc/74/44/67/625744467.db2.gz SUVFWGPFODGNOZ-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO CCN1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897466667 620177352 /nfs/dbraw/zinc/17/73/52/620177352.db2.gz ZBUXEAYUGSTYBP-ZDUSSCGKSA-N 1 1 291.395 2.772 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000899865356 620607935 /nfs/dbraw/zinc/60/79/35/620607935.db2.gz RQOISLRQRZAOKY-JTQLQIEISA-N 1 1 272.757 2.743 20 5 CFBDMO Cc1c(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000899935248 620615318 /nfs/dbraw/zinc/61/53/18/620615318.db2.gz HRGZOXAYNVOSDB-CYBMUJFWSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1c(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000899935248 620615320 /nfs/dbraw/zinc/61/53/20/620615320.db2.gz HRGZOXAYNVOSDB-CYBMUJFWSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc(OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000902309434 621029038 /nfs/dbraw/zinc/02/90/38/621029038.db2.gz NDTGOSZRMUWWRH-UHFFFAOYSA-N 1 1 275.308 2.648 20 5 CFBDMO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287325 621318402 /nfs/dbraw/zinc/31/84/02/621318402.db2.gz NXZGUIUNGVLBSU-MFKMUULPSA-N 1 1 272.308 2.587 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287486 621318511 /nfs/dbraw/zinc/31/85/11/621318511.db2.gz PNXISQRMLOYJHQ-BXUZGUMPSA-N 1 1 286.335 2.977 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000905398004 621758345 /nfs/dbraw/zinc/75/83/45/621758345.db2.gz DZXXQDHOGASMQM-INIZCTEOSA-N 1 1 285.347 2.622 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000174950573 622447415 /nfs/dbraw/zinc/44/74/15/622447415.db2.gz UALZFVDYFRZRJA-GHMZBOCLSA-N 1 1 274.324 2.632 20 5 CFBDMO CC[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820599691 622712816 /nfs/dbraw/zinc/71/28/16/622712816.db2.gz YFNFXNJJMGKDBM-UHFFFAOYSA-N 1 1 287.722 2.529 20 5 CFBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388384 623346105 /nfs/dbraw/zinc/34/61/05/623346105.db2.gz ZJBQFVPEWHSJDR-YPMHNXCESA-N 1 1 266.345 2.649 20 5 CFBDMO C[Si](C)(C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167297 623436568 /nfs/dbraw/zinc/43/65/68/623436568.db2.gz GCQXTDIZAIJMRC-UHFFFAOYSA-N 1 1 264.401 2.830 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CCCO)C2)ccc1Cl ZINC000825336960 623675451 /nfs/dbraw/zinc/67/54/51/623675451.db2.gz BDVMBCNHZCDVAM-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827279989 623980244 /nfs/dbraw/zinc/98/02/44/623980244.db2.gz CNSVKIJWEUNTCK-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915209923 623998613 /nfs/dbraw/zinc/99/86/13/623998613.db2.gz WAIBTVQDFBKTPS-LLVKDONJSA-N 1 1 276.340 2.878 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CCC1 ZINC000827903408 624124510 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CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830999094 624950390 /nfs/dbraw/zinc/95/03/90/624950390.db2.gz DJCNGOOWXWZMPR-UHFFFAOYSA-N 1 1 299.352 2.688 20 5 CFBDMO C[N@H+](CCOC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000767907167 625744466 /nfs/dbraw/zinc/74/44/66/625744466.db2.gz SUVFWGPFODGNOZ-UHFFFAOYSA-N 1 1 284.331 2.981 20 5 CFBDMO CC(C)[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000075666430 626461720 /nfs/dbraw/zinc/46/17/20/626461720.db2.gz LOPHAZRXFNDUMF-UHFFFAOYSA-N 1 1 274.324 2.775 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886033057 626482724 /nfs/dbraw/zinc/48/27/24/626482724.db2.gz RANHHSTYTCAZSR-LLVKDONJSA-N 1 1 251.330 2.858 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1F ZINC000839144560 626526004 /nfs/dbraw/zinc/52/60/04/626526004.db2.gz VEQXXEWBXOOZBJ-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO C[N@H+](CCC1(O)CCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839506213 626538333 /nfs/dbraw/zinc/53/83/33/626538333.db2.gz OCWZIGZVSCQZNU-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@@H+](CCC1(O)CCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839506213 626538334 /nfs/dbraw/zinc/53/83/34/626538334.db2.gz OCWZIGZVSCQZNU-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1nn(C[N@H+]2CC=C(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292915 626821949 /nfs/dbraw/zinc/82/19/49/626821949.db2.gz NQLFJMOVYWENCS-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO Cc1nn(C[N@@H+]2CC=C(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292915 626821951 /nfs/dbraw/zinc/82/19/51/626821951.db2.gz NQLFJMOVYWENCS-UHFFFAOYSA-N 1 1 286.335 2.862 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCCC2)cc1Cl ZINC000761509897 626841380 /nfs/dbraw/zinc/84/13/80/626841380.db2.gz AVJTYUDHAGDISJ-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1Cl ZINC000761511051 626841678 /nfs/dbraw/zinc/84/16/78/626841678.db2.gz JATVZOKMOGNRFJ-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026010 627113960 /nfs/dbraw/zinc/11/39/60/627113960.db2.gz BXDCIBWTTWGBPE-MNOVXSKESA-N 1 1 288.351 2.941 20 5 CFBDMO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272567 627189152 /nfs/dbraw/zinc/18/91/52/627189152.db2.gz YWAVGOKXJINYJS-OLZOCXBDSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272567 627189155 /nfs/dbraw/zinc/18/91/55/627189155.db2.gz YWAVGOKXJINYJS-OLZOCXBDSA-N 1 1 277.368 2.730 20 5 CFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000767453193 627252409 /nfs/dbraw/zinc/25/24/09/627252409.db2.gz FUQWWYKOJCAIEQ-JTQLQIEISA-N 1 1 292.364 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC23CCC3)cc1 ZINC000770000854 627495987 /nfs/dbraw/zinc/49/59/87/627495987.db2.gz KEFIXRCDRHSVCW-AWEZNQCLSA-N 1 1 276.336 2.647 20 5 CFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782467 628066998 /nfs/dbraw/zinc/06/69/98/628066998.db2.gz IDVBSGKKOHZIRO-KCPJHIHWSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782465 628067579 /nfs/dbraw/zinc/06/75/79/628067579.db2.gz IDVBSGKKOHZIRO-DFBGVHRSSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1occc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276896 628125023 /nfs/dbraw/zinc/12/50/23/628125023.db2.gz LPZUQHGXOFWPBL-OAHLLOKOSA-N 1 1 290.319 2.662 20 5 CFBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776272284 628125313 /nfs/dbraw/zinc/12/53/13/628125313.db2.gz SMCBPIBHEUBVHL-HNNXBMFYSA-N 1 1 278.352 2.750 20 5 CFBDMO CO[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038766 634632922 /nfs/dbraw/zinc/63/29/22/634632922.db2.gz RHKUSQSVWLXGIA-ZIAGYGMSSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579530 628160353 /nfs/dbraw/zinc/16/03/53/628160353.db2.gz MOAWOBQTATZVPG-SMDDNHRTSA-N 1 1 290.319 2.914 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776585653 628161571 /nfs/dbraw/zinc/16/15/71/628161571.db2.gz ZAJPZOKTABWHRN-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000776587089 628162432 /nfs/dbraw/zinc/16/24/32/628162432.db2.gz DYJXQVKDMQPFDW-OAHLLOKOSA-N 1 1 290.363 2.894 20 5 CFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592560 628163348 /nfs/dbraw/zinc/16/33/48/628163348.db2.gz PWIQCIYJFWBKMB-IUODEOHRSA-N 1 1 280.368 2.996 20 5 CFBDMO CCC1CCC([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779859077 628415016 /nfs/dbraw/zinc/41/50/16/628415016.db2.gz OYBQJWNZPBPKSD-UHFFFAOYSA-N 1 1 280.372 2.958 20 5 CFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1O ZINC000783731253 628738695 /nfs/dbraw/zinc/73/86/95/628738695.db2.gz YYWMBTMBCRYBOA-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1O ZINC000783731253 628738697 /nfs/dbraw/zinc/73/86/97/628738697.db2.gz YYWMBTMBCRYBOA-ZDUSSCGKSA-N 1 1 298.770 2.841 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000791054058 629284300 /nfs/dbraw/zinc/28/43/00/629284300.db2.gz WTHPZJGPVVVUIU-GFCCVEGCSA-N 1 1 268.744 2.624 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000791054058 629284303 /nfs/dbraw/zinc/28/43/03/629284303.db2.gz WTHPZJGPVVVUIU-GFCCVEGCSA-N 1 1 268.744 2.624 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000791052449 629284374 /nfs/dbraw/zinc/28/43/74/629284374.db2.gz OFJWCKJQQZQVBS-CHWSQXEVSA-N 1 1 298.408 2.693 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852457090 634749397 /nfs/dbraw/zinc/74/93/97/634749397.db2.gz OQCDQKHBQHATTQ-RISCZKNCSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000794683489 629674264 /nfs/dbraw/zinc/67/42/64/629674264.db2.gz FTMWKVNMWCAJAW-LBPRGKRZSA-N 1 1 280.372 2.876 20 5 CFBDMO Cc1ccoc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795160676 629740347 /nfs/dbraw/zinc/74/03/47/629740347.db2.gz ILLJADGADWZRRS-AWEZNQCLSA-N 1 1 290.319 2.662 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534983 634772753 /nfs/dbraw/zinc/77/27/53/634772753.db2.gz SPYHJHQZXRPQHO-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO CC1=CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797823236 630108606 /nfs/dbraw/zinc/10/86/06/630108606.db2.gz OZKBKEXXNFHHDH-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CC1=CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797823236 630108610 /nfs/dbraw/zinc/10/86/10/630108610.db2.gz OZKBKEXXNFHHDH-UHFFFAOYSA-N 1 1 272.308 2.554 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801526331 630453676 /nfs/dbraw/zinc/45/36/76/630453676.db2.gz LAUCMWURRVVYGK-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C(C)C ZINC000804407553 630679550 /nfs/dbraw/zinc/67/95/50/630679550.db2.gz WGMBBKGEDFBLIB-UHFFFAOYSA-N 1 1 279.340 2.550 20 5 CFBDMO CCCC[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972048 630928167 /nfs/dbraw/zinc/92/81/67/630928167.db2.gz LEOLKEAOGOLQBW-UHFFFAOYSA-N 1 1 293.367 2.941 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000811869387 631634517 /nfs/dbraw/zinc/63/45/17/631634517.db2.gz MOIKLXFNQSXMSD-NSHDSACASA-N 1 1 280.372 2.709 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]([NH3+])CC(F)F)n1 ZINC000843187970 631890708 /nfs/dbraw/zinc/89/07/08/631890708.db2.gz VUPAEJBCNLERBC-VIFPVBQESA-N 1 1 298.249 2.608 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844450134 632217008 /nfs/dbraw/zinc/21/70/08/632217008.db2.gz FWORGLNAGYVYQS-PHIMTYICSA-N 1 1 268.263 2.600 20 5 CFBDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000846109090 632633421 /nfs/dbraw/zinc/63/34/21/632633421.db2.gz CVMBLYODFXFJJQ-PHIMTYICSA-N 1 1 268.263 2.600 20 5 CFBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000846109090 632633423 /nfs/dbraw/zinc/63/34/23/632633423.db2.gz CVMBLYODFXFJJQ-PHIMTYICSA-N 1 1 268.263 2.600 20 5 CFBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847027152 632892655 /nfs/dbraw/zinc/89/26/55/632892655.db2.gz NFJXETNHIXPNKO-CQSZACIVSA-N 1 1 266.341 2.749 20 5 CFBDMO C[C@H]1CCC[N@@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530853 633279312 /nfs/dbraw/zinc/27/93/12/633279312.db2.gz HLZSZWGITYFWFW-WFASDCNBSA-N 1 1 289.379 2.656 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530853 633279314 /nfs/dbraw/zinc/27/93/14/633279314.db2.gz HLZSZWGITYFWFW-WFASDCNBSA-N 1 1 289.379 2.656 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000848554598 633288278 /nfs/dbraw/zinc/28/82/78/633288278.db2.gz XPRKRUVQOZSVRO-CHWSQXEVSA-N 1 1 284.319 2.513 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cs1 ZINC000850370703 633959907 /nfs/dbraw/zinc/95/99/07/633959907.db2.gz FORBDOCXDFGABI-STQMWFEESA-N 1 1 290.344 2.924 20 5 CFBDMO CCCCC(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853659190 635065288 /nfs/dbraw/zinc/06/52/88/635065288.db2.gz TXIHHLHHGLFRIA-UHFFFAOYSA-N 1 1 269.276 2.923 20 5 CFBDMO CC[C@H]([NH2+]C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000854142322 635228656 /nfs/dbraw/zinc/22/86/56/635228656.db2.gz JFYBCUBBORHTRP-NSHDSACASA-N 1 1 290.323 2.548 20 5 CFBDMO CC[NH2+]CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000113656314 635645243 /nfs/dbraw/zinc/64/52/43/635645243.db2.gz LSKLVUNMTRSVHJ-UHFFFAOYSA-N 1 1 295.358 2.555 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000048068831 650254289 /nfs/dbraw/zinc/25/42/89/650254289.db2.gz XBICTZCCYOXQEZ-UHFFFAOYSA-N 1 1 287.275 2.793 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000119016910 637460240 /nfs/dbraw/zinc/46/02/40/637460240.db2.gz VQCDOOHHGVVBJI-ZDUSSCGKSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000865417756 638322485 /nfs/dbraw/zinc/32/24/85/638322485.db2.gz CKQKWAVIXWAWFR-NSHDSACASA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000865565518 638427947 /nfs/dbraw/zinc/42/79/47/638427947.db2.gz ZBFJQNZEMFVKLL-VIFPVBQESA-N 1 1 255.343 2.553 20 5 CFBDMO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000865581016 638437595 /nfs/dbraw/zinc/43/75/95/638437595.db2.gz HVQBVZVLEPICED-NSHDSACASA-N 1 1 286.335 2.977 20 5 CFBDMO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])cc1O ZINC000865699264 638523253 /nfs/dbraw/zinc/52/32/53/638523253.db2.gz NLQSNWIIRIVYFE-WDEREUQCSA-N 1 1 298.314 2.679 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249602 638779874 /nfs/dbraw/zinc/77/98/74/638779874.db2.gz LWSAMKWRPSLWPN-RYUDHWBXSA-N 1 1 297.374 2.595 20 5 CFBDMO Cc1nn(C[N@@H+](C)CC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121111483 638835391 /nfs/dbraw/zinc/83/53/91/638835391.db2.gz WNBCYSPPVLZIFN-UHFFFAOYSA-N 1 1 274.324 2.552 20 5 CFBDMO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000866705174 638868013 /nfs/dbraw/zinc/86/80/13/638868013.db2.gz VCMJSQOOQCKAEC-INIZCTEOSA-N 1 1 291.395 2.792 20 5 CFBDMO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866704269 638868037 /nfs/dbraw/zinc/86/80/37/638868037.db2.gz SGXODXDUYJFRFU-INIZCTEOSA-N 1 1 291.395 2.792 20 5 CFBDMO C[C@@H](O[NH+]=C(N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000871764951 641447725 /nfs/dbraw/zinc/44/77/25/641447725.db2.gz NUVSCQJCMYKGAE-SECBINFHSA-N 1 1 263.297 2.954 20 5 CFBDMO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019965 641550523 /nfs/dbraw/zinc/55/05/23/641550523.db2.gz BDMSUJKXKPIFRA-JOYOIKCWSA-N 1 1 294.282 2.711 20 5 CFBDMO C[C@@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129799 641658225 /nfs/dbraw/zinc/65/82/25/641658225.db2.gz UTQIKHKGJSFSQL-UPJWGTAASA-N 1 1 289.379 2.871 20 5 CFBDMO C[C@@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129799 641658228 /nfs/dbraw/zinc/65/82/28/641658228.db2.gz UTQIKHKGJSFSQL-UPJWGTAASA-N 1 1 289.379 2.871 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872779613 641933938 /nfs/dbraw/zinc/93/39/38/641933938.db2.gz HFSWPQNVKDPZEN-HUUCEWRRSA-N 1 1 275.352 2.576 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC(C)(C)[NH+](C)C ZINC000873007394 641983435 /nfs/dbraw/zinc/98/34/35/641983435.db2.gz OQPLNJUDJCCCAA-UHFFFAOYSA-N 1 1 279.384 2.641 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133595 642024575 /nfs/dbraw/zinc/02/45/75/642024575.db2.gz FJGKRDWBDJONNM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133595 642024582 /nfs/dbraw/zinc/02/45/82/642024582.db2.gz FJGKRDWBDJONNM-CQSZACIVSA-N 1 1 291.395 2.866 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCCCO)C1CC1 ZINC000876731354 642986166 /nfs/dbraw/zinc/98/61/66/642986166.db2.gz IYCHIBRENCYUGV-UHFFFAOYSA-N 1 1 292.379 2.949 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCOC[C@@H]1C ZINC000876752198 642993957 /nfs/dbraw/zinc/99/39/57/642993957.db2.gz JESCVGQYCHOQNV-LBPRGKRZSA-N 1 1 278.352 2.822 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000876757930 642997317 /nfs/dbraw/zinc/99/73/17/642997317.db2.gz CNXUCNKOKVWOHS-OAHLLOKOSA-N 1 1 278.352 2.558 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000877488987 643304301 /nfs/dbraw/zinc/30/43/01/643304301.db2.gz KCDSWNCLIGZPJV-INIZCTEOSA-N 1 1 292.379 2.949 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000877605993 643393088 /nfs/dbraw/zinc/39/30/88/643393088.db2.gz YYWLFPCHNWEVQS-CJNGLKHVSA-N 1 1 290.363 2.822 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cs1 ZINC000877736900 643497256 /nfs/dbraw/zinc/49/72/56/643497256.db2.gz BSOGBOLQDLJEAM-WDEREUQCSA-N 1 1 284.406 2.841 20 5 CFBDMO CC1(C)C[C@@H](O)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877752415 643529371 /nfs/dbraw/zinc/52/93/71/643529371.db2.gz FKPPYCGXPGEJPO-BRLPQQTGSA-N 1 1 290.363 2.701 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877796659 643562858 /nfs/dbraw/zinc/56/28/58/643562858.db2.gz RWNNFRLYCFWOGD-CQSZACIVSA-N 1 1 292.379 2.886 20 5 CFBDMO CC(C)(O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877835345 643602482 /nfs/dbraw/zinc/60/24/82/643602482.db2.gz PKSULHPASVZALB-DYLGSBMWSA-N 1 1 290.363 2.701 20 5 CFBDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000126884742 643729952 /nfs/dbraw/zinc/72/99/52/643729952.db2.gz SECYGLLOVICNGO-LLVKDONJSA-N 1 1 266.345 2.649 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879328182 644233887 /nfs/dbraw/zinc/23/38/87/644233887.db2.gz YJAOIGCJRPZFHN-RISCZKNCSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555642 644316079 /nfs/dbraw/zinc/31/60/79/644316079.db2.gz AILIJIOMTKVYMT-PWSUYJOCSA-N 1 1 296.367 2.919 20 5 CFBDMO CC(C)(O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879629525 644355611 /nfs/dbraw/zinc/35/56/11/644355611.db2.gz QERKJBFPJWWZRD-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccnn1C ZINC000879685616 644380418 /nfs/dbraw/zinc/38/04/18/644380418.db2.gz YOPMUKRUAALJOZ-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880144926 644553193 /nfs/dbraw/zinc/55/31/93/644553193.db2.gz FZSWFVXFBZTLOO-VXGBXAGGSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CF)C2)cs1 ZINC000880232784 644593712 /nfs/dbraw/zinc/59/37/12/644593712.db2.gz QHMIQMDFXXNNRN-VIFPVBQESA-N 1 1 258.318 2.838 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CF)C2)cs1 ZINC000880232784 644593715 /nfs/dbraw/zinc/59/37/15/644593715.db2.gz QHMIQMDFXXNNRN-VIFPVBQESA-N 1 1 258.318 2.838 20 5 CFBDMO COc1ccc(C[NH+]2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000880242685 644605238 /nfs/dbraw/zinc/60/52/38/644605238.db2.gz HTXYLKCSYYPMNE-UHFFFAOYSA-N 1 1 268.288 2.537 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CF)C1 ZINC000880294044 644633215 /nfs/dbraw/zinc/63/32/15/644633215.db2.gz QTLBPSAFZXAEPP-WDEREUQCSA-N 1 1 252.289 2.947 20 5 CFBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)c2ccccc21 ZINC000884493108 646398477 /nfs/dbraw/zinc/39/84/77/646398477.db2.gz LWIQRPCMCPYQKQ-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO CC[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884582762 646468295 /nfs/dbraw/zinc/46/82/95/646468295.db2.gz KYCBFRVGEHKNDM-NSHDSACASA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCc2sccc2C1 ZINC000886002278 646806806 /nfs/dbraw/zinc/80/68/06/646806806.db2.gz VCRWOTWBHPGLSP-UHFFFAOYSA-N 1 1 289.360 3.000 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCc2sccc2C1 ZINC000886002278 646806811 /nfs/dbraw/zinc/80/68/11/646806811.db2.gz VCRWOTWBHPGLSP-UHFFFAOYSA-N 1 1 289.360 3.000 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000886111696 646876934 /nfs/dbraw/zinc/87/69/34/646876934.db2.gz HBLIAMZIWYDNLY-UHFFFAOYSA-N 1 1 287.294 2.908 20 5 CFBDMO Cc1n[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC000886125134 646883546 /nfs/dbraw/zinc/88/35/46/646883546.db2.gz JXJRRPVAUHDPMD-UHFFFAOYSA-N 1 1 288.351 2.960 20 5 CFBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000886168717 646904747 /nfs/dbraw/zinc/90/47/47/646904747.db2.gz XOSWJOLFYOZZFZ-TZMCWYRMSA-N 1 1 293.367 2.627 20 5 CFBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000886192217 646914291 /nfs/dbraw/zinc/91/42/91/646914291.db2.gz LMTQHYYIVNUGON-SECBINFHSA-N 1 1 263.322 2.902 20 5 CFBDMO CC(C)[N@@H+]1CCC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000924077381 647918888 /nfs/dbraw/zinc/91/88/88/647918888.db2.gz GHQCGZBGZUSSTH-NSHDSACASA-N 1 1 296.371 2.603 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000924077381 647918894 /nfs/dbraw/zinc/91/88/94/647918894.db2.gz GHQCGZBGZUSSTH-NSHDSACASA-N 1 1 296.371 2.603 20 5 CFBDMO CC1(C)[NH2+]CC[C@@H]1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571811 648222871 /nfs/dbraw/zinc/22/28/71/648222871.db2.gz JGMZIQKIOHDBBP-HNNXBMFYSA-N 1 1 291.395 2.648 20 5 CFBDMO CC1(C)C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C[C@@H]([NH3+])C1 ZINC000925597334 648233055 /nfs/dbraw/zinc/23/30/55/648233055.db2.gz YIIUOWMSXSLRNZ-OLZOCXBDSA-N 1 1 277.368 2.590 20 5 CFBDMO Cc1[nH+]ccn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034423539 648514572 /nfs/dbraw/zinc/51/45/72/648514572.db2.gz LYZSFOKCLVAHSN-UHFFFAOYSA-N 1 1 251.673 2.801 20 5 CFBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000929134519 648987066 /nfs/dbraw/zinc/98/70/66/648987066.db2.gz XZXFKGQWEOAXKH-CYBMUJFWSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723596 649107074 /nfs/dbraw/zinc/10/70/74/649107074.db2.gz LPSOVKUQKVIZFU-LSDHHAIUSA-N 1 1 262.353 2.840 20 5 CFBDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000929760273 649115034 /nfs/dbraw/zinc/11/50/34/649115034.db2.gz QRQIFFZFEHSSAB-PWSUYJOCSA-N 1 1 252.314 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CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C)C1 ZINC001228922444 778208630 /nfs/dbraw/zinc/20/86/30/778208630.db2.gz ZXMNYIAGZXOGAB-ZDUSSCGKSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1[nH+]ccn1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159435758 778566880 /nfs/dbraw/zinc/56/68/80/778566880.db2.gz LTECWNGZWBVRDI-UHFFFAOYSA-N 1 1 296.124 2.911 20 5 CFBDMO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000692132744 779812963 /nfs/dbraw/zinc/81/29/63/779812963.db2.gz CXWWXWFXNKDEPF-SECBINFHSA-N 1 1 284.743 2.593 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000701698492 780826741 /nfs/dbraw/zinc/82/67/41/780826741.db2.gz FNQGGTAYUHPBJU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000701698492 780826749 /nfs/dbraw/zinc/82/67/49/780826749.db2.gz FNQGGTAYUHPBJU-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000710153481 781329358 /nfs/dbraw/zinc/32/93/58/781329358.db2.gz KKPGUAHCEMWCCD-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(F)c1 ZINC000711467832 781436800 /nfs/dbraw/zinc/43/68/00/781436800.db2.gz BMWUZMZHFPICAH-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CF)C2)c(F)c1 ZINC000711467832 781436807 /nfs/dbraw/zinc/43/68/07/781436807.db2.gz BMWUZMZHFPICAH-SNVBAGLBSA-N 1 1 270.279 2.915 20 5 CFBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594597067 349456235 /nfs/dbraw/zinc/45/62/35/349456235.db2.gz CESJRXTZWVYGDW-OLZOCXBDSA-N 1 1 290.367 2.727 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956301 349527930 /nfs/dbraw/zinc/52/79/30/349527930.db2.gz JCXJKLFYSBCSSS-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956301 349527934 /nfs/dbraw/zinc/52/79/34/349527934.db2.gz JCXJKLFYSBCSSS-ZDUSSCGKSA-N 1 1 277.368 2.557 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125084243 187168717 /nfs/dbraw/zinc/16/87/17/187168717.db2.gz YOOSPRVVWGSSRW-NSHDSACASA-N 1 1 292.335 2.693 20 5 CFBDMO CCC[N@@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097151 349581441 /nfs/dbraw/zinc/58/14/41/349581441.db2.gz QIIDCTOWZIROGA-WFASDCNBSA-N 1 1 289.379 2.656 20 5 CFBDMO CCC[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097151 349581442 /nfs/dbraw/zinc/58/14/42/349581442.db2.gz QIIDCTOWZIROGA-WFASDCNBSA-N 1 1 289.379 2.656 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000595309795 349598756 /nfs/dbraw/zinc/59/87/56/349598756.db2.gz AJDGNQQCBVLINJ-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO Cc1noc(C[N@@H+]2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000595315067 349600134 /nfs/dbraw/zinc/60/01/34/349600134.db2.gz XABQFFRHQBHQAN-UHFFFAOYSA-N 1 1 287.319 2.840 20 5 CFBDMO Cc1noc(C[N@H+]2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000595315067 349600139 /nfs/dbraw/zinc/60/01/39/349600139.db2.gz XABQFFRHQBHQAN-UHFFFAOYSA-N 1 1 287.319 2.840 20 5 CFBDMO Cc1noc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595323908 349602357 /nfs/dbraw/zinc/60/23/57/349602357.db2.gz CCMZPSZXWBYZFL-UWVGGRQHSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595324436 349602443 /nfs/dbraw/zinc/60/24/43/349602443.db2.gz FOKFOBXVKXQIRH-SCZZXKLOSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[NH+]2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC000595328555 349602483 /nfs/dbraw/zinc/60/24/83/349602483.db2.gz WNOVWHBSDWUPHG-UHFFFAOYSA-N 1 1 267.329 2.759 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595325412 349602613 /nfs/dbraw/zinc/60/26/13/349602613.db2.gz HUAJXNVPVVEVLL-GHMZBOCLSA-N 1 1 265.313 2.656 20 5 CFBDMO Cc1noc(C[N@@H+](C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000595288477 349591027 /nfs/dbraw/zinc/59/10/27/349591027.db2.gz JQBQFDOEDJTATJ-UHFFFAOYSA-N 1 1 267.329 2.903 20 5 CFBDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595296843 349594478 /nfs/dbraw/zinc/59/44/78/349594478.db2.gz MHURGJKQAYFUHY-UHFFFAOYSA-N 1 1 255.318 2.759 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595297379 349594978 /nfs/dbraw/zinc/59/49/78/349594978.db2.gz DPBKOQPLGJXIAH-LLVKDONJSA-N 1 1 267.329 2.902 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595296031 349595179 /nfs/dbraw/zinc/59/51/79/349595179.db2.gz VYRZJRYXRZXIDB-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595296031 349595181 /nfs/dbraw/zinc/59/51/81/349595181.db2.gz VYRZJRYXRZXIDB-CYBMUJFWSA-N 1 1 282.315 2.735 20 5 CFBDMO CCSCC[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595375689 349612397 /nfs/dbraw/zinc/61/23/97/349612397.db2.gz CCXVMGDXNABEKV-VIFPVBQESA-N 1 1 287.385 2.855 20 5 CFBDMO CCSCC[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595375689 349612402 /nfs/dbraw/zinc/61/24/02/349612402.db2.gz CCXVMGDXNABEKV-VIFPVBQESA-N 1 1 287.385 2.855 20 5 CFBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595395217 349615956 /nfs/dbraw/zinc/61/59/56/349615956.db2.gz LFFJKOIYIIVXBB-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO CC[N@H+](CCC1CC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595437412 349625953 /nfs/dbraw/zinc/62/59/53/349625953.db2.gz HHUPFXAOCGQBKO-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO CC[N@@H+](CCC1CC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595437412 349625957 /nfs/dbraw/zinc/62/59/57/349625957.db2.gz HHUPFXAOCGQBKO-UHFFFAOYSA-N 1 1 253.302 2.513 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000174369697 529397771 /nfs/dbraw/zinc/39/77/71/529397771.db2.gz COOGHHIXDXAUAY-GFCCVEGCSA-N 1 1 266.366 2.922 20 5 CFBDMO CC(C)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595460323 349634018 /nfs/dbraw/zinc/63/40/18/349634018.db2.gz GMRVWZKRUIRRDF-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470027 349636809 /nfs/dbraw/zinc/63/68/09/349636809.db2.gz ZHUUKKUJYNFEQO-FZMZJTMJSA-N 1 1 296.342 2.859 20 5 CFBDMO CCCC[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595492913 349641587 /nfs/dbraw/zinc/64/15/87/349641587.db2.gz ZIUGDTJRWVSBEH-VIFPVBQESA-N 1 1 255.318 2.902 20 5 CFBDMO CCCC[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595492913 349641592 /nfs/dbraw/zinc/64/15/92/349641592.db2.gz ZIUGDTJRWVSBEH-VIFPVBQESA-N 1 1 255.318 2.902 20 5 CFBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000595488205 349640864 /nfs/dbraw/zinc/64/08/64/349640864.db2.gz FHVFMHUSLXTJCY-LLVKDONJSA-N 1 1 297.355 2.671 20 5 CFBDMO COCC(C)(C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595512359 349647573 /nfs/dbraw/zinc/64/75/73/349647573.db2.gz UCZGDGXFBBSKPI-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO Cc1noc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513392 349648578 /nfs/dbraw/zinc/64/85/78/349648578.db2.gz UYNILSIHXVSEAR-VXGBXAGGSA-N 1 1 297.355 2.573 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000068996826 346879049 /nfs/dbraw/zinc/87/90/49/346879049.db2.gz KQZIXGXTPYYMGQ-UHFFFAOYSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000595500442 349643684 /nfs/dbraw/zinc/64/36/84/349643684.db2.gz JLTUORDQUUGMAP-CQSZACIVSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000595529113 349651736 /nfs/dbraw/zinc/65/17/36/349651736.db2.gz HNHWGFWVBQKQQC-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000069064047 346881747 /nfs/dbraw/zinc/88/17/47/346881747.db2.gz SGYCQPOUBYSEGV-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000125708680 187197327 /nfs/dbraw/zinc/19/73/27/187197327.db2.gz PEKAUNKIEWYRFU-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000595666572 349693778 /nfs/dbraw/zinc/69/37/78/349693778.db2.gz BPYJJDRCKCVSGH-SNVBAGLBSA-N 1 1 293.348 2.781 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671860 349695610 /nfs/dbraw/zinc/69/56/10/349695610.db2.gz XAUIXNLWYGCFAW-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595750096 349722545 /nfs/dbraw/zinc/72/25/45/349722545.db2.gz NUMMURJPIAUARO-UWVGGRQHSA-N 1 1 298.770 2.697 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595811245 349737655 /nfs/dbraw/zinc/73/76/55/349737655.db2.gz UWGATURSXHTWJW-UWVGGRQHSA-N 1 1 280.299 2.584 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595811245 349737658 /nfs/dbraw/zinc/73/76/58/349737658.db2.gz UWGATURSXHTWJW-UWVGGRQHSA-N 1 1 280.299 2.584 20 5 CFBDMO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422842961 529670418 /nfs/dbraw/zinc/67/04/18/529670418.db2.gz ZWOZNQVDXAQHNC-ZFWWWQNUSA-N 1 1 277.368 2.778 20 5 CFBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072562330 346929599 /nfs/dbraw/zinc/92/95/99/346929599.db2.gz FJUWEWPLLFCDTJ-LBPRGKRZSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697720 346936522 /nfs/dbraw/zinc/93/65/22/346936522.db2.gz AFWKYNZOQIKRMK-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC(C)(C)C1 ZINC000072827423 346942929 /nfs/dbraw/zinc/94/29/29/346942929.db2.gz NJQPHCZWERSYST-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072870859 346944570 /nfs/dbraw/zinc/94/45/70/346944570.db2.gz NJDNVJGZNJZVJE-TUAOUCFPSA-N 1 1 291.351 2.510 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133465282 136390509 /nfs/dbraw/zinc/39/05/09/136390509.db2.gz KRDBYMZLGAHVQL-KGLIPLIRSA-N 1 1 289.379 2.824 20 5 CFBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873797 346945698 /nfs/dbraw/zinc/94/56/98/346945698.db2.gz XDDLOZUKCUZFBZ-TXEJJXNPSA-N 1 1 291.351 2.511 20 5 CFBDMO CS[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295019736 199302791 /nfs/dbraw/zinc/30/27/91/199302791.db2.gz KMGHJLMZJLXSAP-GFCCVEGCSA-N 1 1 252.339 2.532 20 5 CFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596255732 349842783 /nfs/dbraw/zinc/84/27/83/349842783.db2.gz RVVAWZUOTHZUQR-SNVBAGLBSA-N 1 1 295.408 2.885 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000596309280 349858835 /nfs/dbraw/zinc/85/88/35/349858835.db2.gz XMCYOFKPZOTIEM-GFCCVEGCSA-N 1 1 292.383 2.891 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596337667 349868944 /nfs/dbraw/zinc/86/89/44/349868944.db2.gz ZQWIVHWSHFKAAJ-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287322 347007085 /nfs/dbraw/zinc/00/70/85/347007085.db2.gz JBLWRKVIUALYIY-LSDHHAIUSA-N 1 1 278.352 2.720 20 5 CFBDMO COCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127147216 187285496 /nfs/dbraw/zinc/28/54/96/187285496.db2.gz AXCVCFMURBUOSF-UHFFFAOYSA-N 1 1 290.319 2.933 20 5 CFBDMO COc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273188038 192069465 /nfs/dbraw/zinc/06/94/65/192069465.db2.gz QZJDGOBZTJNVLS-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278987 232194424 /nfs/dbraw/zinc/19/44/24/232194424.db2.gz JWBLTJUEOCFDOY-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116278987 232194426 /nfs/dbraw/zinc/19/44/26/232194426.db2.gz JWBLTJUEOCFDOY-GXFFZTMASA-N 1 1 298.770 2.984 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596518894 349928773 /nfs/dbraw/zinc/92/87/73/349928773.db2.gz YWZULSQBSLFSJO-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000273268637 192094311 /nfs/dbraw/zinc/09/43/11/192094311.db2.gz JJBBCAFSVDMUAQ-RYUDHWBXSA-N 1 1 298.408 2.885 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000273268637 192094313 /nfs/dbraw/zinc/09/43/13/192094313.db2.gz JJBBCAFSVDMUAQ-RYUDHWBXSA-N 1 1 298.408 2.885 20 5 CFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046600261 346430036 /nfs/dbraw/zinc/43/00/36/346430036.db2.gz FIGIAMUFRRLCRI-UHFFFAOYSA-N 1 1 278.352 2.986 20 5 CFBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000063863573 346712750 /nfs/dbraw/zinc/71/27/50/346712750.db2.gz WWBFDVGZOFFKCJ-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000064009733 346714316 /nfs/dbraw/zinc/71/43/16/346714316.db2.gz XLXLGTYOLFUHIL-UHFFFAOYSA-N 1 1 297.424 2.963 20 5 CFBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000061189235 346676351 /nfs/dbraw/zinc/67/63/51/346676351.db2.gz HCLIBOTUIHHBDL-UHFFFAOYSA-N 1 1 296.367 2.578 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000066405699 346759064 /nfs/dbraw/zinc/75/90/64/346759064.db2.gz GIONOPWWYDWBLQ-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076400040 347136994 /nfs/dbraw/zinc/13/69/94/347136994.db2.gz ITTGFXFDIXOFBK-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076407115 347138249 /nfs/dbraw/zinc/13/82/49/347138249.db2.gz DXNUEEZOLXFUND-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO Cc1cccn2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)nc12 ZINC000076895012 347160117 /nfs/dbraw/zinc/16/01/17/347160117.db2.gz YBMAAZHZSCHMGU-UHFFFAOYSA-N 1 1 296.330 2.841 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000078455064 347253929 /nfs/dbraw/zinc/25/39/29/347253929.db2.gz NTYXHCQWPYBCNF-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078563121 347261474 /nfs/dbraw/zinc/26/14/74/347261474.db2.gz VGIPOAQSWYWISK-LBPRGKRZSA-N 1 1 295.358 2.902 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078563286 347261940 /nfs/dbraw/zinc/26/19/40/347261940.db2.gz OKZCASUWTLLRFM-NSHDSACASA-N 1 1 283.397 2.824 20 5 CFBDMO COc1ccc(C[N@@H+]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000085821765 347483184 /nfs/dbraw/zinc/48/31/84/347483184.db2.gz PGYPKZVLRDIUGT-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO COc1ccc(C[N@H+]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000085821765 347483185 /nfs/dbraw/zinc/48/31/85/347483185.db2.gz PGYPKZVLRDIUGT-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000091457567 347587702 /nfs/dbraw/zinc/58/77/02/347587702.db2.gz YPZJIBYQJJNMLC-LBPRGKRZSA-N 1 1 293.367 2.747 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093105946 347661480 /nfs/dbraw/zinc/66/14/80/347661480.db2.gz MNEDTTITFIWKQS-BTKRWWFXSA-N 1 1 290.363 2.702 20 5 CFBDMO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000093143667 347662774 /nfs/dbraw/zinc/66/27/74/347662774.db2.gz HKBWEBZKQYDBGH-STMXVASLSA-N 1 1 278.352 2.699 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603022 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O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC000293088668 348361774 /nfs/dbraw/zinc/36/17/74/348361774.db2.gz KDUICKLEJHEPKE-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000311450292 348412777 /nfs/dbraw/zinc/41/27/77/348412777.db2.gz SBJXKVOTMRNDGV-SNVBAGLBSA-N 1 1 269.320 2.875 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589189361 348817797 /nfs/dbraw/zinc/81/77/97/348817797.db2.gz SWECOVGWZQCQQQ-LLBKUYECSA-N 1 1 278.352 2.965 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206571 348819872 /nfs/dbraw/zinc/81/98/72/348819872.db2.gz ZNNAXABEMLFJJJ-IAQYHMDHSA-N 1 1 295.358 2.506 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000589501679 348836446 /nfs/dbraw/zinc/83/64/46/348836446.db2.gz AWKFDORQDZXAHN-MNOVXSKESA-N 1 1 292.335 2.612 20 5 CFBDMO CCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000589494991 348836496 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CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCN(C)C1 ZINC000592520710 349131760 /nfs/dbraw/zinc/13/17/60/349131760.db2.gz PBHRLDZZJBYYSI-INIZCTEOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000592520710 349131764 /nfs/dbraw/zinc/13/17/64/349131764.db2.gz PBHRLDZZJBYYSI-INIZCTEOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000592520710 349131768 /nfs/dbraw/zinc/13/17/68/349131768.db2.gz PBHRLDZZJBYYSI-INIZCTEOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592520739 349131883 /nfs/dbraw/zinc/13/18/83/349131883.db2.gz QFNBGQUYIIMTOU-LBPRGKRZSA-N 1 1 283.397 2.572 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000592995937 349182805 /nfs/dbraw/zinc/18/28/05/349182805.db2.gz JKWIIFSPXXFCEP-NSHDSACASA-N 1 1 292.335 2.756 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593114563 349212054 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294.351 2.604 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3C3CC3)nc2c1 ZINC000618279277 352745881 /nfs/dbraw/zinc/74/58/81/352745881.db2.gz MBKZSAANWXMVRJ-AWEZNQCLSA-N 1 1 286.335 2.846 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000619158275 352968076 /nfs/dbraw/zinc/96/80/76/352968076.db2.gz LLJAFDNVWUUWKL-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000619531707 353033485 /nfs/dbraw/zinc/03/34/85/353033485.db2.gz JLOAABUTCCWHPA-JTQLQIEISA-N 1 1 286.278 2.690 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000619531707 353033488 /nfs/dbraw/zinc/03/34/88/353033488.db2.gz JLOAABUTCCWHPA-JTQLQIEISA-N 1 1 286.278 2.690 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292253130 198218528 /nfs/dbraw/zinc/21/85/28/198218528.db2.gz XXBHHHVFKLMNAO-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292253130 198218529 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CC[C@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171950502 379450717 /nfs/dbraw/zinc/45/07/17/379450717.db2.gz JVNFTZFJQNBZIP-NSHDSACASA-N 1 1 293.367 2.820 20 5 CFBDMO CCC[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882159 379955761 /nfs/dbraw/zinc/95/57/61/379955761.db2.gz VHUBQDZJHVISKI-CQSZACIVSA-N 1 1 280.372 2.694 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC000176193020 380191351 /nfs/dbraw/zinc/19/13/51/380191351.db2.gz QRUKAKAVAMYCOO-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000177878397 380388727 /nfs/dbraw/zinc/38/87/27/380388727.db2.gz AXYHNWNQLATRFZ-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177898528 380390621 /nfs/dbraw/zinc/39/06/21/380390621.db2.gz CCWAIAIAWPFFNI-VXGBXAGGSA-N 1 1 264.325 2.704 20 5 CFBDMO CCOc1cc(C[N@@H+](CCO)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000287403855 380823872 /nfs/dbraw/zinc/82/38/72/380823872.db2.gz OCTNOAGFBMIFTG-LBPRGKRZSA-N 1 1 296.367 2.586 20 5 CFBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295429876 380847598 /nfs/dbraw/zinc/84/75/98/380847598.db2.gz JGVSGBGOQAUIHA-HNNXBMFYSA-N 1 1 292.379 2.620 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000279257570 194354900 /nfs/dbraw/zinc/35/49/00/194354900.db2.gz HTYDDZXEMPGPMV-OAHLLOKOSA-N 1 1 294.351 2.604 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353848817 380897369 /nfs/dbraw/zinc/89/73/69/380897369.db2.gz WOFJSIQXNIBVCD-CYBMUJFWSA-N 1 1 278.352 2.939 20 5 CFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287867255 380960488 /nfs/dbraw/zinc/96/04/88/380960488.db2.gz NGEDCIOUTJLWJF-LBPRGKRZSA-N 1 1 292.383 2.567 20 5 CFBDMO CC[N@@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295564733 380945130 /nfs/dbraw/zinc/94/51/30/380945130.db2.gz QROVQTMZDNOCHQ-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c(Cl)c1 ZINC000368441662 381025147 /nfs/dbraw/zinc/02/51/47/381025147.db2.gz LXLQBJYFQZGYAT-NSHDSACASA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155830 381006547 /nfs/dbraw/zinc/00/65/47/381006547.db2.gz HOZPQYNEONUUHQ-QMTHXVAHSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182155830 381006556 /nfs/dbraw/zinc/00/65/56/381006556.db2.gz HOZPQYNEONUUHQ-QMTHXVAHSA-N 1 1 298.770 2.984 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCOC1 ZINC000347376094 381108949 /nfs/dbraw/zinc/10/89/49/381108949.db2.gz ZHBLPPRFIGECBV-PINLSGDHSA-N 1 1 276.336 2.719 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041248 381117512 /nfs/dbraw/zinc/11/75/12/381117512.db2.gz RZSMUPHHMYBWRD-ZKYQVNSYSA-N 1 1 278.352 2.667 20 5 CFBDMO CCn1ccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000295854000 381118619 /nfs/dbraw/zinc/11/86/19/381118619.db2.gz BCTJRHOXQMOBBP-GFCCVEGCSA-N 1 1 288.351 2.970 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000359086606 381257696 /nfs/dbraw/zinc/25/76/96/381257696.db2.gz VXRFMZDNKOHADZ-CHWSQXEVSA-N 1 1 290.367 2.645 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000342299914 381258687 /nfs/dbraw/zinc/25/86/87/381258687.db2.gz LRIOKBOKSNVCMJ-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000183356082 381260214 /nfs/dbraw/zinc/26/02/14/381260214.db2.gz OUGLIDLDEJXZGM-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369464658 381266289 /nfs/dbraw/zinc/26/62/89/381266289.db2.gz FXWQRJPDYQTJPT-LSDHHAIUSA-N 1 1 276.336 2.738 20 5 CFBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295604 381250197 /nfs/dbraw/zinc/25/01/97/381250197.db2.gz MEUAXBWQBZPIJW-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295604 381250206 /nfs/dbraw/zinc/25/02/06/381250206.db2.gz MEUAXBWQBZPIJW-UHFFFAOYSA-N 1 1 288.351 2.659 20 5 CFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000290105363 381301735 /nfs/dbraw/zinc/30/17/35/381301735.db2.gz HWGKFXPBJXNIDY-INIZCTEOSA-N 1 1 292.379 2.888 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000342412004 381318167 /nfs/dbraw/zinc/31/81/67/381318167.db2.gz GXHIDAFAIZHFJX-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342412004 381318171 /nfs/dbraw/zinc/31/81/71/381318171.db2.gz GXHIDAFAIZHFJX-ZDUSSCGKSA-N 1 1 279.384 2.805 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000369965254 381358955 /nfs/dbraw/zinc/35/89/55/381358955.db2.gz QVOBDRIQCFYSFT-UHFFFAOYSA-N 1 1 290.363 2.987 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000290783719 381550070 /nfs/dbraw/zinc/55/00/70/381550070.db2.gz NHQOBHCADDAGGX-LLVKDONJSA-N 1 1 280.372 2.709 20 5 CFBDMO CC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348547010 381625823 /nfs/dbraw/zinc/62/58/23/381625823.db2.gz NTISBRWADKXUTN-QPBFKRLHSA-N 1 1 289.379 2.634 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298441432 381626647 /nfs/dbraw/zinc/62/66/47/381626647.db2.gz RFAKGUPBCIIWQV-LLVKDONJSA-N 1 1 294.351 2.938 20 5 CFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](C)OC ZINC000291224086 381713850 /nfs/dbraw/zinc/71/38/50/381713850.db2.gz LUAUWZYGMOLRTI-NSHDSACASA-N 1 1 266.341 2.760 20 5 CFBDMO COC1CC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000348709382 381677625 /nfs/dbraw/zinc/67/76/25/381677625.db2.gz MMMJPPXGYQLMOB-FNORWQNLSA-N 1 1 276.336 2.717 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000355213502 381682100 /nfs/dbraw/zinc/68/21/00/381682100.db2.gz RCZYGTJXBCLWAD-STQMWFEESA-N 1 1 296.392 2.905 20 5 CFBDMO C[C@H]1[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343481468 381742658 /nfs/dbraw/zinc/74/26/58/381742658.db2.gz SSBYRXVMDSLUSS-QPUJVOFHSA-N 1 1 285.294 2.768 20 5 CFBDMO CCOc1cc(C[N@@H+](CC)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000291352791 381757960 /nfs/dbraw/zinc/75/79/60/381757960.db2.gz YAGMYLXGHDXMAE-GFCCVEGCSA-N 1 1 296.367 2.850 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335003 381761133 /nfs/dbraw/zinc/76/11/33/381761133.db2.gz NFKVBEFMCUQMSZ-NWDGAFQWSA-N 1 1 280.372 2.729 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000372148505 381763280 /nfs/dbraw/zinc/76/32/80/381763280.db2.gz GTAPIVBJSOOIOG-CWRNSKLLSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000372148506 381763402 /nfs/dbraw/zinc/76/34/02/381763402.db2.gz GTAPIVBJSOOIOG-FVQBIDKESA-N 1 1 290.363 2.893 20 5 CFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000292329043 381799569 /nfs/dbraw/zinc/79/95/69/381799569.db2.gz ASIYHRDMFHBAJT-GFCCVEGCSA-N 1 1 295.358 2.820 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343606269 381836070 /nfs/dbraw/zinc/83/60/70/381836070.db2.gz PBHFFVIOTJTFLT-SMDDNHRTSA-N 1 1 293.367 2.636 20 5 CFBDMO Cc1c(CO[C@H](C)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000343652421 381869663 /nfs/dbraw/zinc/86/96/63/381869663.db2.gz RXNPIPSHOZGXGM-SNVBAGLBSA-N 1 1 275.308 2.774 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349410407 381926619 /nfs/dbraw/zinc/92/66/19/381926619.db2.gz SYOCSQXPTUIRFS-BLLLJJGKSA-N 1 1 292.379 2.921 20 5 CFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000293044749 381965525 /nfs/dbraw/zinc/96/55/25/381965525.db2.gz MKPCBGBPHNLPAZ-INIZCTEOSA-N 1 1 292.379 2.825 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293056488 381971431 /nfs/dbraw/zinc/97/14/31/381971431.db2.gz IGLOBMLNDGSROB-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC000293126033 381999325 /nfs/dbraw/zinc/99/93/25/381999325.db2.gz MQADMYBACYHJQV-GXTWGEPZSA-N 1 1 278.352 2.811 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC000293126036 382000186 /nfs/dbraw/zinc/00/01/86/382000186.db2.gz MQADMYBACYHJQV-JSGCOSHPSA-N 1 1 278.352 2.811 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[N@@H+](C)C1CC1 ZINC000186785084 382013300 /nfs/dbraw/zinc/01/33/00/382013300.db2.gz ZQXKRRQRBIUAIC-ZDUSSCGKSA-N 1 1 291.395 2.990 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273697 382057801 /nfs/dbraw/zinc/05/78/01/382057801.db2.gz CLUBNEURJXVIPQ-NEPJUHHUSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273697 382057809 /nfs/dbraw/zinc/05/78/09/382057809.db2.gz CLUBNEURJXVIPQ-NEPJUHHUSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273701 382058385 /nfs/dbraw/zinc/05/83/85/382058385.db2.gz CLUBNEURJXVIPQ-RYUDHWBXSA-N 1 1 294.399 2.558 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273701 382058391 /nfs/dbraw/zinc/05/83/91/382058391.db2.gz CLUBNEURJXVIPQ-RYUDHWBXSA-N 1 1 294.399 2.558 20 5 CFBDMO COc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362434848 382067141 /nfs/dbraw/zinc/06/71/41/382067141.db2.gz PYBDUHWNQOBCBR-TXEJJXNPSA-N 1 1 294.351 2.570 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926898 382071756 /nfs/dbraw/zinc/07/17/56/382071756.db2.gz MHZPXVABRSKQLC-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO CCOCC(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000293351737 382090247 /nfs/dbraw/zinc/09/02/47/382090247.db2.gz TYZGLPQEDSRBNN-UHFFFAOYSA-N 1 1 288.294 2.778 20 5 CFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000301306936 382145016 /nfs/dbraw/zinc/14/50/16/382145016.db2.gz VIBPJLKQACXQJT-NSHDSACASA-N 1 1 281.331 2.512 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301458913 382171846 /nfs/dbraw/zinc/17/18/46/382171846.db2.gz ZNPRPMDWJHMGOH-YPMHNXCESA-N 1 1 295.358 2.900 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000301926338 382200777 /nfs/dbraw/zinc/20/07/77/382200777.db2.gz JGRLMUHPRQEYOW-DGCLKSJQSA-N 1 1 292.383 2.831 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3CC3)C2)cs1 ZINC000362702250 382205187 /nfs/dbraw/zinc/20/51/87/382205187.db2.gz BNPSEQRZUDZMSQ-NSHDSACASA-N 1 1 252.339 2.888 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187580438 382216670 /nfs/dbraw/zinc/21/66/70/382216670.db2.gz IELZCUVLARNKQT-HNNXBMFYSA-N 1 1 278.352 2.579 20 5 CFBDMO CC[C@@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187627604 382229674 /nfs/dbraw/zinc/22/96/74/382229674.db2.gz TYPMJLJNVSESPP-CYBMUJFWSA-N 1 1 284.381 2.641 20 5 CFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187627604 382229681 /nfs/dbraw/zinc/22/96/81/382229681.db2.gz TYPMJLJNVSESPP-CYBMUJFWSA-N 1 1 284.381 2.641 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293789431 382279750 /nfs/dbraw/zinc/27/97/50/382279750.db2.gz CJPUAWZFRLGKLS-HNNXBMFYSA-N 1 1 290.363 2.783 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000377532884 382284341 /nfs/dbraw/zinc/28/43/41/382284341.db2.gz CDHCKGVSIKGXPQ-AWEZNQCLSA-N 1 1 276.336 2.978 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363622626 382240614 /nfs/dbraw/zinc/24/06/14/382240614.db2.gz ZCWFCEYCGZRSPP-GFCCVEGCSA-N 1 1 295.770 2.923 20 5 CFBDMO CC[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000419246302 382258578 /nfs/dbraw/zinc/25/85/78/382258578.db2.gz WCPPNLMYXKZPEY-CQSZACIVSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000377642100 382308955 /nfs/dbraw/zinc/30/89/55/382308955.db2.gz AVCVNZRMHURVEK-HNNXBMFYSA-N 1 1 296.342 2.574 20 5 CFBDMO Cc1c(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187955817 382309467 /nfs/dbraw/zinc/30/94/67/382309467.db2.gz FELNTLFELRUDSY-BLLLJJGKSA-N 1 1 292.379 2.886 20 5 CFBDMO CCOc1cc(C[N@@H+](C)CCCCOC)ccc1[N+](=O)[O-] ZINC000419384290 382309691 /nfs/dbraw/zinc/30/96/91/382309691.db2.gz JYDOJGGPPICUKW-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO COCCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387344 382311617 /nfs/dbraw/zinc/31/16/17/382311617.db2.gz QTWNGEJRVQMGJF-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO COCCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387344 382311623 /nfs/dbraw/zinc/31/16/23/382311623.db2.gz QTWNGEJRVQMGJF-UHFFFAOYSA-N 1 1 270.304 2.592 20 5 CFBDMO C[C@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187972478 382313665 /nfs/dbraw/zinc/31/36/65/382313665.db2.gz SSQATBMPKKVMQY-WFASDCNBSA-N 1 1 278.352 2.750 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000352414614 382318813 /nfs/dbraw/zinc/31/88/13/382318813.db2.gz UMSIPRIPIVJIHE-ZIAGYGMSSA-N 1 1 298.289 2.530 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000352414611 382319148 /nfs/dbraw/zinc/31/91/48/382319148.db2.gz UMSIPRIPIVJIHE-KBPBESRZSA-N 1 1 298.289 2.530 20 5 CFBDMO CC[N@@H+](C)CCNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000302797508 382321921 /nfs/dbraw/zinc/32/19/21/382321921.db2.gz AQBXISBTCWZEAB-UHFFFAOYSA-N 1 1 271.748 2.920 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000357805329 382330181 /nfs/dbraw/zinc/33/01/81/382330181.db2.gz LVWKDVKVHNMTSM-LLVKDONJSA-N 1 1 297.403 2.652 20 5 CFBDMO Cc1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000364859751 382356262 /nfs/dbraw/zinc/35/62/62/382356262.db2.gz VCVYVSXWEJPLBY-UHFFFAOYSA-N 1 1 289.379 2.968 20 5 CFBDMO CO[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000188294365 382385157 /nfs/dbraw/zinc/38/51/57/382385157.db2.gz JJEQBNOEEFYVQL-JAGRNKBHSA-N 1 1 290.363 2.965 20 5 CFBDMO COc1cc(C[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352544464 382389881 /nfs/dbraw/zinc/38/98/81/382389881.db2.gz AWJZUPBUEKGRBI-UHFFFAOYSA-N 1 1 264.325 2.835 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000352544935 382390758 /nfs/dbraw/zinc/39/07/58/382390758.db2.gz DULDGFCJFNDTDX-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000352544935 382390759 /nfs/dbraw/zinc/39/07/59/382390759.db2.gz DULDGFCJFNDTDX-GFCCVEGCSA-N 1 1 296.392 2.931 20 5 CFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352628071 382423503 /nfs/dbraw/zinc/42/35/03/382423503.db2.gz IGDDIVBXUWGVAL-VHSXEESVSA-N 1 1 252.289 2.964 20 5 CFBDMO CC[C@@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352677612 382448345 /nfs/dbraw/zinc/44/83/45/382448345.db2.gz LFBHPIOURWHCBL-SNVBAGLBSA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352677612 382448352 /nfs/dbraw/zinc/44/83/52/382448352.db2.gz LFBHPIOURWHCBL-SNVBAGLBSA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352662198 382439513 /nfs/dbraw/zinc/43/95/13/382439513.db2.gz XJSCNFQLEVVXKC-GLQYFDAESA-N 1 1 278.352 2.809 20 5 CFBDMO CC(C)CC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571572 382399907 /nfs/dbraw/zinc/39/99/07/382399907.db2.gz WJSNBLNUCMONKB-HNNXBMFYSA-N 1 1 294.395 2.866 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1CC1)CCO2 ZINC000352622278 382420669 /nfs/dbraw/zinc/42/06/69/382420669.db2.gz ZNLHXFQOARRPLH-UHFFFAOYSA-N 1 1 262.309 2.589 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CF ZINC000294183113 382449208 /nfs/dbraw/zinc/44/92/08/382449208.db2.gz XAJPWIYNXOOZAB-ZDUSSCGKSA-N 1 1 252.289 2.837 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CF ZINC000294183113 382449209 /nfs/dbraw/zinc/44/92/09/382449209.db2.gz XAJPWIYNXOOZAB-ZDUSSCGKSA-N 1 1 252.289 2.837 20 5 CFBDMO CC(C)[C@@H]([NH3+])CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346693380 382478502 /nfs/dbraw/zinc/47/85/02/382478502.db2.gz MRZAASLRAXXNNB-VFADXPBXSA-N 1 1 291.395 2.913 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000188948317 382510713 /nfs/dbraw/zinc/51/07/13/382510713.db2.gz BIDVASCTQOQQFH-UHFFFAOYSA-N 1 1 292.379 2.923 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000367452863 382570090 /nfs/dbraw/zinc/57/00/90/382570090.db2.gz WSPPDJCTRMZDPP-OAHLLOKOSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000353749347 382624974 /nfs/dbraw/zinc/62/49/74/382624974.db2.gz FPZZVXDOQITPLK-MRXNPFEDSA-N 1 1 290.363 2.987 20 5 CFBDMO C[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192617672 382710678 /nfs/dbraw/zinc/71/06/78/382710678.db2.gz STUCUZNYXDQGHR-INIZCTEOSA-N 1 1 289.379 2.656 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193429579 382719752 /nfs/dbraw/zinc/71/97/52/382719752.db2.gz ZWXYMJNYDSDBMJ-CYBMUJFWSA-N 1 1 292.383 2.853 20 5 CFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000195666929 382770743 /nfs/dbraw/zinc/77/07/43/382770743.db2.gz TXWTUPZHLIBSJH-VXGBXAGGSA-N 1 1 278.356 2.522 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337249793 382785433 /nfs/dbraw/zinc/78/54/33/382785433.db2.gz MECHPIOKMDCONX-GFCCVEGCSA-N 1 1 291.351 2.798 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337254893 382787039 /nfs/dbraw/zinc/78/70/39/382787039.db2.gz RDOSYHWPODTROA-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648035 382838959 /nfs/dbraw/zinc/83/89/59/382838959.db2.gz QQCJDLGIBDIHKT-VIFPVBQESA-N 1 1 284.747 2.539 20 5 CFBDMO Cc1c(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000230157138 382856759 /nfs/dbraw/zinc/85/67/59/382856759.db2.gz CVNCMXWMYJBODU-UHFFFAOYSA-N 1 1 294.742 2.580 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000577529392 382862839 /nfs/dbraw/zinc/86/28/39/382862839.db2.gz SROMMFGGEHMQNO-UONOGXRCSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000577529392 382862840 /nfs/dbraw/zinc/86/28/40/382862840.db2.gz SROMMFGGEHMQNO-UONOGXRCSA-N 1 1 298.346 2.972 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000577585851 382863765 /nfs/dbraw/zinc/86/37/65/382863765.db2.gz CAXGSBNMOQEFIK-OAHLLOKOSA-N 1 1 290.363 2.517 20 5 CFBDMO CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865752 382873681 /nfs/dbraw/zinc/87/36/81/382873681.db2.gz MNTYJYFEXRQMJQ-WFASDCNBSA-N 1 1 291.395 2.900 20 5 CFBDMO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865752 382873684 /nfs/dbraw/zinc/87/36/84/382873684.db2.gz MNTYJYFEXRQMJQ-WFASDCNBSA-N 1 1 291.395 2.900 20 5 CFBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000578886931 382964168 /nfs/dbraw/zinc/96/41/68/382964168.db2.gz BBFCNYRDYOLXOS-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224405 382972626 /nfs/dbraw/zinc/97/26/26/382972626.db2.gz MLVAWHUOWABFCK-SMDDNHRTSA-N 1 1 264.325 2.503 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000338288882 382977895 /nfs/dbraw/zinc/97/78/95/382977895.db2.gz RFTIDDHNNHYQBS-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c(Cl)c1 ZINC000338709662 383029403 /nfs/dbraw/zinc/02/94/03/383029403.db2.gz FFEROCCSAZEGAW-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000338709662 383029405 /nfs/dbraw/zinc/02/94/05/383029405.db2.gz FFEROCCSAZEGAW-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO CC[C@@H]([NH3+])CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458773 383103033 /nfs/dbraw/zinc/10/30/33/383103033.db2.gz HGPPUPOZHVDLBC-NEPJUHHUSA-N 1 1 297.424 2.792 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@H](C)C[N@@H+](C)C(C)C ZINC000518562779 383203068 /nfs/dbraw/zinc/20/30/68/383203068.db2.gz OSSMQEPUFCFPMW-LLVKDONJSA-N 1 1 281.356 2.744 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567472739 383278933 /nfs/dbraw/zinc/27/89/33/383278933.db2.gz PKJSECZZQWBDTH-GCILFIKNSA-N 1 1 288.347 2.719 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219538 /nfs/dbraw/zinc/21/95/38/383219538.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 1 1 289.379 2.511 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000249166289 383332498 /nfs/dbraw/zinc/33/24/98/383332498.db2.gz KEAXTPLSDLYFGI-ABAIWWIYSA-N 1 1 278.352 2.760 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1 ZINC000449467429 383311112 /nfs/dbraw/zinc/31/11/12/383311112.db2.gz JBBFWKPOJJWCMU-XQQFMLRXSA-N 1 1 296.392 2.782 20 5 CFBDMO Cc1cnccc1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567781585 383315999 /nfs/dbraw/zinc/31/59/99/383315999.db2.gz JUIHKENQLFHFKK-UHFFFAOYSA-N 1 1 297.358 2.899 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000339789010 383318448 /nfs/dbraw/zinc/31/84/48/383318448.db2.gz USWVLSVIFGNWRP-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000339789010 383318450 /nfs/dbraw/zinc/31/84/50/383318450.db2.gz USWVLSVIFGNWRP-LBPRGKRZSA-N 1 1 284.743 2.595 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524619785 383377042 /nfs/dbraw/zinc/37/70/42/383377042.db2.gz JGFXUHGKLXHWBE-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000253092356 383442996 /nfs/dbraw/zinc/44/29/96/383442996.db2.gz KVYNTQPJMTZVMY-OAGGEKHMSA-N 1 1 290.363 2.720 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000428470458 383480180 /nfs/dbraw/zinc/48/01/80/383480180.db2.gz PENGUWFINIJYQL-CGMDNHBQSA-N 1 1 290.363 2.843 20 5 CFBDMO Cc1ccc2nc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000341039804 383540310 /nfs/dbraw/zinc/54/03/10/383540310.db2.gz DHZFIAVHZGYTFX-UHFFFAOYSA-N 1 1 296.330 2.841 20 5 CFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000341120582 383572722 /nfs/dbraw/zinc/57/27/22/383572722.db2.gz MGPKJOKZYNGTDM-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO Cc1ccnc(NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450948944 383562835 /nfs/dbraw/zinc/56/28/35/383562835.db2.gz IFQWNEQXCCCUNO-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1cnc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450948927 383563844 /nfs/dbraw/zinc/56/38/44/383563844.db2.gz IDFXVUNZOVIRGQ-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769401 383567283 /nfs/dbraw/zinc/56/72/83/383567283.db2.gz CPJPFXDNALULOE-XJKSGUPXSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000489895627 383642127 /nfs/dbraw/zinc/64/21/27/383642127.db2.gz LDJXHNBGIIYRBB-LBPRGKRZSA-N 1 1 272.308 2.527 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)cc1 ZINC000451550489 383643688 /nfs/dbraw/zinc/64/36/88/383643688.db2.gz RYBWBTXELCTDBX-DZGCQCFKSA-N 1 1 290.363 2.811 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489415089 383616228 /nfs/dbraw/zinc/61/62/28/383616228.db2.gz PTFFPGUIEBGZIP-CQSZACIVSA-N 1 1 294.351 2.713 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C[NH+](C)C ZINC000571066312 383662930 /nfs/dbraw/zinc/66/29/30/383662930.db2.gz PXXSVTREJZGZMQ-NWDGAFQWSA-N 1 1 265.357 2.504 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451645720 383674473 /nfs/dbraw/zinc/67/44/73/383674473.db2.gz FYRSTWHUABJGJY-AWEZNQCLSA-N 1 1 278.377 2.922 20 5 CFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)cc1 ZINC000531143481 383824413 /nfs/dbraw/zinc/82/44/13/383824413.db2.gz AJSWNSOHKBSBTD-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]12 ZINC000531342499 383853974 /nfs/dbraw/zinc/85/39/74/383853974.db2.gz IAEIXYUACFETIQ-FRRDWIJNSA-N 1 1 292.383 2.729 20 5 CFBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222228 285063776 /nfs/dbraw/zinc/06/37/76/285063776.db2.gz PXAJXHIHIIPVLV-RYUDHWBXSA-N 1 1 266.341 2.667 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574464863 384099581 /nfs/dbraw/zinc/09/95/81/384099581.db2.gz WBJPZSFVCPTWIZ-MNOVXSKESA-N 1 1 291.351 2.641 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000266286688 384136881 /nfs/dbraw/zinc/13/68/81/384136881.db2.gz VTSSKDUDJUSISX-RYUDHWBXSA-N 1 1 263.341 2.514 20 5 CFBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266289132 384137161 /nfs/dbraw/zinc/13/71/61/384137161.db2.gz WDFWJOUYWPZEBQ-QWRGUYRKSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000266508621 384187971 /nfs/dbraw/zinc/18/79/71/384187971.db2.gz CYNLMCCOFJSHSA-KBPBESRZSA-N 1 1 291.395 2.929 20 5 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/nfs/dbraw/zinc/01/74/11/394017411.db2.gz XJSCNFQLEVVXKC-TUKIKUTGSA-N 1 1 278.352 2.809 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000430236068 393971408 /nfs/dbraw/zinc/97/14/08/393971408.db2.gz MTKYATFLEABBMK-HNNXBMFYSA-N 1 1 294.351 2.604 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000430245333 393972242 /nfs/dbraw/zinc/97/22/42/393972242.db2.gz RUVFIEMOOFHFKL-ZDUSSCGKSA-N 1 1 264.325 2.834 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125168338 394002889 /nfs/dbraw/zinc/00/28/89/394002889.db2.gz USXWRMREPUJJOR-GFCCVEGCSA-N 1 1 294.351 2.714 20 5 CFBDMO CC(C)(O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000275040461 394045571 /nfs/dbraw/zinc/04/55/71/394045571.db2.gz GMDKLWSUHYFFMV-UHFFFAOYSA-N 1 1 298.770 2.984 20 5 CFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833095 394047601 /nfs/dbraw/zinc/04/76/01/394047601.db2.gz MIBGABZQDBNOPJ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CCOC1)C1CC1 ZINC000437575200 394060057 /nfs/dbraw/zinc/06/00/57/394060057.db2.gz HKUCSZNMQJFQGP-ZDUSSCGKSA-N 1 1 290.363 2.986 20 5 CFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900629 394093189 /nfs/dbraw/zinc/09/31/89/394093189.db2.gz CRJXPRSSYJEPQU-QWHCGFSZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681221 394031610 /nfs/dbraw/zinc/03/16/10/394031610.db2.gz RYQYGTYYDVVORQ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681221 394031614 /nfs/dbraw/zinc/03/16/14/394031614.db2.gz RYQYGTYYDVVORQ-ZWNOBZJWSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421001478 394152577 /nfs/dbraw/zinc/15/25/77/394152577.db2.gz WZUQUIILXVDXSL-LLVKDONJSA-N 1 1 294.326 2.613 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421001478 394152579 /nfs/dbraw/zinc/15/25/79/394152579.db2.gz WZUQUIILXVDXSL-LLVKDONJSA-N 1 1 294.326 2.613 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148483177 394248222 /nfs/dbraw/zinc/24/82/22/394248222.db2.gz QCZVABXNSHSBIE-SNVBAGLBSA-N 1 1 298.774 2.785 20 5 CFBDMO CC(C)([NH2+]Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000291798392 394262621 /nfs/dbraw/zinc/26/26/21/394262621.db2.gz WWKOHRSZHHLVJW-UHFFFAOYSA-N 1 1 290.319 2.705 20 5 CFBDMO CCOc1cccc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292911322 394278428 /nfs/dbraw/zinc/27/84/28/394278428.db2.gz XMBVIGVFTBELRF-TXEJJXNPSA-N 1 1 293.367 2.522 20 5 CFBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630793 394282011 /nfs/dbraw/zinc/28/20/11/394282011.db2.gz JEIYXTKIYBFMQV-GJZGRUSLSA-N 1 1 290.363 2.984 20 5 CFBDMO CC[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274510 394369844 /nfs/dbraw/zinc/36/98/44/394369844.db2.gz DGDOPIIGZJVSSU-CVEARBPZSA-N 1 1 291.395 2.976 20 5 CFBDMO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036190 394641550 /nfs/dbraw/zinc/64/15/50/394641550.db2.gz CIVIMQWFNDDKGY-RISCZKNCSA-N 1 1 275.352 2.798 20 5 CFBDMO C[C@@H](C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000355540943 155036327 /nfs/dbraw/zinc/03/63/27/155036327.db2.gz HOJICCIWVMVBIO-LBPRGKRZSA-N 1 1 288.351 2.564 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367053300 156273396 /nfs/dbraw/zinc/27/33/96/156273396.db2.gz FAPZKVIJLALJGQ-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000367447027 156333867 /nfs/dbraw/zinc/33/38/67/156333867.db2.gz IRJXFPHKOLDXDR-ZDUSSCGKSA-N 1 1 282.365 2.659 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000373772709 157028704 /nfs/dbraw/zinc/02/87/04/157028704.db2.gz RGQJDJHUMJEFEN-UHFFFAOYSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[N@@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000346293809 162373526 /nfs/dbraw/zinc/37/35/26/162373526.db2.gz JQEYFCLTADNMPS-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603404 163155855 /nfs/dbraw/zinc/15/58/55/163155855.db2.gz LEPBWBFKIYTFOM-DUMNWFOQSA-N 1 1 273.292 2.947 20 5 CFBDMO CCCc1[nH+]ccn1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352899416 163265236 /nfs/dbraw/zinc/26/52/36/163265236.db2.gz GJCUIEOCPBUQBG-UHFFFAOYSA-N 1 1 285.307 2.668 20 5 CFBDMO Cc1ccc([C@@H](C)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020127070 171012062 /nfs/dbraw/zinc/01/20/62/171012062.db2.gz XBLCGGWEBLMPEQ-CYBMUJFWSA-N 1 1 277.368 2.650 20 5 CFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000285516328 196310524 /nfs/dbraw/zinc/31/05/24/196310524.db2.gz OPFSPGIJWUJLNJ-UHFFFAOYSA-N 1 1 290.363 2.986 20 5 CFBDMO Cc1ccc([C@H](C)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267023 173077880 /nfs/dbraw/zinc/07/78/80/173077880.db2.gz FCLNCTAKVPKOCY-LBPRGKRZSA-N 1 1 277.368 2.648 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401090 173178123 /nfs/dbraw/zinc/17/81/23/173178123.db2.gz XSQNJFBNIXWVQX-GFCCVEGCSA-N 1 1 263.341 2.799 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420749 173197797 /nfs/dbraw/zinc/19/77/97/173197797.db2.gz GYUKHKHTRYYTFF-SNVBAGLBSA-N 1 1 267.304 2.630 20 5 CFBDMO CCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000037495426 173234817 /nfs/dbraw/zinc/23/48/17/173234817.db2.gz QAZUGERZHDYEKZ-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040624177 174356310 /nfs/dbraw/zinc/35/63/10/174356310.db2.gz DHUQHZSUOQOMBY-NSHDSACASA-N 1 1 281.331 2.876 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044417337 175173348 /nfs/dbraw/zinc/17/33/48/175173348.db2.gz ISQFFSSQPUYGEM-GFCCVEGCSA-N 1 1 261.325 2.552 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C(C)C ZINC000054128479 175554237 /nfs/dbraw/zinc/55/42/37/175554237.db2.gz DTFIHBQKJCSQGN-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO CCOc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094195455 265223198 /nfs/dbraw/zinc/22/31/98/265223198.db2.gz PAWSHNMACBBQQI-YPMHNXCESA-N 1 1 293.367 2.888 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000514644531 266025705 /nfs/dbraw/zinc/02/57/05/266025705.db2.gz OGOQOMSAJFVIEY-STQMWFEESA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728558 270840411 /nfs/dbraw/zinc/84/04/11/270840411.db2.gz MTJXPGQQPRDCOQ-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728558 270840413 /nfs/dbraw/zinc/84/04/13/270840413.db2.gz MTJXPGQQPRDCOQ-OCCSQVGLSA-N 1 1 291.395 2.896 20 5 CFBDMO CC1(O)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000168717266 273595019 /nfs/dbraw/zinc/59/50/19/273595019.db2.gz CSJYZDMNCSNUMD-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888136 274208663 /nfs/dbraw/zinc/20/86/63/274208663.db2.gz YKDGFCAOSWSNDR-BLLLJJGKSA-N 1 1 291.395 2.902 20 5 CFBDMO C[C@@H](CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000417317412 274225683 /nfs/dbraw/zinc/22/56/83/274225683.db2.gz WPWRMPUDDBTMQK-LRDDRELGSA-N 1 1 291.395 2.902 20 5 CFBDMO CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)COC1 ZINC000343942324 276166763 /nfs/dbraw/zinc/16/67/63/276166763.db2.gz ZZBJRIIUMMFMGR-UHFFFAOYSA-N 1 1 276.336 2.596 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000364302346 277147136 /nfs/dbraw/zinc/14/71/36/277147136.db2.gz IKBVQKKDACGSPH-YGRLFVJLSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357041221 280112072 /nfs/dbraw/zinc/11/20/72/280112072.db2.gz QLBDXAKZVQQNIJ-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOCC23CCCC3)cc1 ZINC000270667752 280363041 /nfs/dbraw/zinc/36/30/41/280363041.db2.gz ROUWZMTXPKUSJJ-UHFFFAOYSA-N 1 1 290.363 2.782 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000287730250 280372638 /nfs/dbraw/zinc/37/26/38/280372638.db2.gz GFAIFBBOPLCGPF-SNVBAGLBSA-N 1 1 290.298 2.841 20 5 CFBDMO Cc1ccnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000374342208 281190813 /nfs/dbraw/zinc/19/08/13/281190813.db2.gz SPAOXOAGIRDTFW-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000374342208 281190814 /nfs/dbraw/zinc/19/08/14/281190814.db2.gz SPAOXOAGIRDTFW-CQSZACIVSA-N 1 1 298.346 2.897 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733203 281208065 /nfs/dbraw/zinc/20/80/65/281208065.db2.gz JRFSGHNFUFQXES-MNOVXSKESA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733203 281208066 /nfs/dbraw/zinc/20/80/66/281208066.db2.gz JRFSGHNFUFQXES-MNOVXSKESA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763222 281208996 /nfs/dbraw/zinc/20/89/96/281208996.db2.gz WQPNUKZWCWETQE-MNOVXSKESA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000512887755 281261327 /nfs/dbraw/zinc/26/13/27/281261327.db2.gz BBADPIXMXYCHQC-RYUDHWBXSA-N 1 1 263.341 2.798 20 5 CFBDMO C[C@H](F)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462439 282028440 /nfs/dbraw/zinc/02/84/40/282028440.db2.gz OHKCUXVCYSEOSU-JTQLQIEISA-N 1 1 252.289 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000312302838 290016376 /nfs/dbraw/zinc/01/63/76/290016376.db2.gz XGGOQVSAPLZHHZ-JTQLQIEISA-N 1 1 279.315 2.630 20 5 CFBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312570587 290016438 /nfs/dbraw/zinc/01/64/38/290016438.db2.gz OGKQKCAPJPOKAW-NSHDSACASA-N 1 1 281.331 2.796 20 5 CFBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000353725164 290038162 /nfs/dbraw/zinc/03/81/62/290038162.db2.gz WCAQKTAARRUQND-VURMDHGXSA-N 1 1 289.379 2.634 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000563870190 290180077 /nfs/dbraw/zinc/18/00/77/290180077.db2.gz BTDKBURESHEBKW-AWEZNQCLSA-N 1 1 294.326 2.613 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCCC1 ZINC000126354918 290250373 /nfs/dbraw/zinc/25/03/73/290250373.db2.gz ZXMHTGSYWSHPGM-GFCCVEGCSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840207 290267665 /nfs/dbraw/zinc/26/76/65/290267665.db2.gz BMEZGTGZQZLEAC-DHMWGJHJSA-N 1 1 289.379 2.715 20 5 CFBDMO COC[C@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189667400 324031615 /nfs/dbraw/zinc/03/16/15/324031615.db2.gz CDCNIFVAXXOBMP-GFCCVEGCSA-N 1 1 278.352 2.842 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000580190077 325014400 /nfs/dbraw/zinc/01/44/00/325014400.db2.gz CZXWARJHKHZXSZ-CQSZACIVSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414881189 533899629 /nfs/dbraw/zinc/89/96/29/533899629.db2.gz KSBAFDOLEBGERK-LLVKDONJSA-N 1 1 289.335 2.682 20 5 CFBDMO CCCC[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000075634299 520474865 /nfs/dbraw/zinc/47/48/65/520474865.db2.gz PRCAWWSGWZPXPQ-UHFFFAOYSA-N 1 1 293.367 2.680 20 5 CFBDMO CCc1nc(NCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000314326240 522236554 /nfs/dbraw/zinc/23/65/54/522236554.db2.gz LNEONFFYJUGZOW-UHFFFAOYSA-N 1 1 286.335 2.910 20 5 CFBDMO COc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000361147294 522473616 /nfs/dbraw/zinc/47/36/16/522473616.db2.gz UEFRUHRQYBQXBA-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@H+](CCCCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000227118899 522730777 /nfs/dbraw/zinc/73/07/77/522730777.db2.gz MBXZWTSPWYJZQA-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO C[N@@H+](CCCCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000227118899 522730782 /nfs/dbraw/zinc/73/07/82/522730782.db2.gz MBXZWTSPWYJZQA-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000311068029 523274343 /nfs/dbraw/zinc/27/43/43/523274343.db2.gz LDANDDAASVIUKU-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1CCCC1 ZINC000191297580 523390425 /nfs/dbraw/zinc/39/04/25/523390425.db2.gz XXYRZXJGRAVZHC-HNNXBMFYSA-N 1 1 292.379 2.968 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000217367131 523922465 /nfs/dbraw/zinc/92/24/65/523922465.db2.gz DZSPGJBJVYNOAO-NSHDSACASA-N 1 1 251.330 2.737 20 5 CFBDMO C[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000059814787 524261440 /nfs/dbraw/zinc/26/14/40/524261440.db2.gz GDQGOVBBDFTHCY-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112209080 524908482 /nfs/dbraw/zinc/90/84/82/524908482.db2.gz ZCXKVYGJPNEMIY-QWHCGFSZSA-N 1 1 275.352 2.942 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000312957490 525453886 /nfs/dbraw/zinc/45/38/86/525453886.db2.gz STHIRDTZYHQERR-NSHDSACASA-N 1 1 281.356 2.744 20 5 CFBDMO Cc1cccnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000071339562 525525566 /nfs/dbraw/zinc/52/55/66/525525566.db2.gz RVJLVJMNIVVJLX-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182164387 525700451 /nfs/dbraw/zinc/70/04/51/525700451.db2.gz FZLYGVFTTCTIRJ-JTQLQIEISA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125072 525727125 /nfs/dbraw/zinc/72/71/25/525727125.db2.gz IPXFBSXSZPMZRJ-TYNCELHUSA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1c(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125072 525727146 /nfs/dbraw/zinc/72/71/46/525727146.db2.gz IPXFBSXSZPMZRJ-TYNCELHUSA-N 1 1 291.395 2.722 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC000360668066 526062404 /nfs/dbraw/zinc/06/24/04/526062404.db2.gz CYTKLOBIYWDPQP-OLZOCXBDSA-N 1 1 292.383 2.973 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000084726469 526065222 /nfs/dbraw/zinc/06/52/22/526065222.db2.gz CINUTHVUFSCLBY-NSHDSACASA-N 1 1 261.325 2.552 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305781355 526079080 /nfs/dbraw/zinc/07/90/80/526079080.db2.gz UMUZKAISTUTBOS-GZMMTYOYSA-N 1 1 292.257 2.511 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305781355 526079090 /nfs/dbraw/zinc/07/90/90/526079090.db2.gz UMUZKAISTUTBOS-GZMMTYOYSA-N 1 1 292.257 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193848224 527348990 /nfs/dbraw/zinc/34/89/90/527348990.db2.gz PMYJMYQVUKHTGZ-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000360465905 527361275 /nfs/dbraw/zinc/36/12/75/527361275.db2.gz HLFMXYFOBRTOMB-LBPRGKRZSA-N 1 1 295.770 2.923 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1CCO ZINC000311567727 527388549 /nfs/dbraw/zinc/38/85/49/527388549.db2.gz DZHAAWRUZLBLAF-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1CCO ZINC000311567727 527388552 /nfs/dbraw/zinc/38/85/52/527388552.db2.gz DZHAAWRUZLBLAF-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000235526393 527458323 /nfs/dbraw/zinc/45/83/23/527458323.db2.gz SDBUCPOCPLOHRQ-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413190636 528027991 /nfs/dbraw/zinc/02/79/91/528027991.db2.gz XHAOFEQJRRHCPZ-LLVKDONJSA-N 1 1 296.346 2.519 20 5 CFBDMO CCCC[N@@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153758036 528348463 /nfs/dbraw/zinc/34/84/63/528348463.db2.gz JGLGPAONOFESIT-UHFFFAOYSA-N 1 1 286.763 2.787 20 5 CFBDMO CC(C)[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803113 528823675 /nfs/dbraw/zinc/82/36/75/528823675.db2.gz MIBJHOMLARTHLA-MRXNPFEDSA-N 1 1 291.395 2.902 20 5 CFBDMO CC(C)[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803113 528823679 /nfs/dbraw/zinc/82/36/79/528823679.db2.gz MIBJHOMLARTHLA-MRXNPFEDSA-N 1 1 291.395 2.902 20 5 CFBDMO CCCC[C@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811090 528953436 /nfs/dbraw/zinc/95/34/36/528953436.db2.gz IVBHJWSICJPSKC-IQCBXXCUSA-N 1 1 277.368 2.715 20 5 CFBDMO CC[C@H](C)[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848459 529202856 /nfs/dbraw/zinc/20/28/56/529202856.db2.gz RGKRJRKDHAHVDM-NWDGAFQWSA-N 1 1 280.372 2.690 20 5 CFBDMO C[C@H](O[NH+]=C(N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000749795564 574309697 /nfs/dbraw/zinc/30/96/97/574309697.db2.gz MLWRYGNTCXIBQO-JTQLQIEISA-N 1 1 293.323 2.581 20 5 CFBDMO Cc1ccc(NCCNc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000742257204 574321819 /nfs/dbraw/zinc/32/18/19/574321819.db2.gz QSHSENPLNZWFHS-UHFFFAOYSA-N 1 1 272.308 2.822 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095495 574324221 /nfs/dbraw/zinc/32/42/21/574324221.db2.gz ZCJXVTIHTBZHDM-ZFWWWQNUSA-N 1 1 278.352 2.606 20 5 CFBDMO Cc1cccc(NCCNc2ccsc2[N+](=O)[O-])[nH+]1 ZINC000750170832 574329174 /nfs/dbraw/zinc/32/91/74/574329174.db2.gz AWDGTXWBBRNBAF-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000742425971 574330146 /nfs/dbraw/zinc/33/01/46/574330146.db2.gz RULUNYCIQUBCAZ-JTQLQIEISA-N 1 1 267.304 2.630 20 5 CFBDMO Cc1c(C[N@@H+](CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000750607186 574348997 /nfs/dbraw/zinc/34/89/97/574348997.db2.gz RXGGNFUFJFRACO-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO Cc1c(C[N@H+](CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000750607186 574348999 /nfs/dbraw/zinc/34/89/99/574348999.db2.gz RXGGNFUFJFRACO-UHFFFAOYSA-N 1 1 293.411 2.923 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000891604814 617683565 /nfs/dbraw/zinc/68/35/65/617683565.db2.gz PZVHRIXLZZUHIF-JTQLQIEISA-N 1 1 282.340 2.785 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891694851 617714401 /nfs/dbraw/zinc/71/44/01/617714401.db2.gz SCUUHPQEHMKBRX-JTQLQIEISA-N 1 1 282.340 2.787 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657508 617757004 /nfs/dbraw/zinc/75/70/04/617757004.db2.gz ZLMRACVIQDBIBV-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657508 617757008 /nfs/dbraw/zinc/75/70/08/617757008.db2.gz ZLMRACVIQDBIBV-CMPLNLGQSA-N 1 1 298.770 2.841 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804678686 617799812 /nfs/dbraw/zinc/79/98/12/617799812.db2.gz PCQPOCFSXYYKSG-CQSZACIVSA-N 1 1 292.383 2.709 20 5 CFBDMO C[N@H+]1CCC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440131 617920718 /nfs/dbraw/zinc/92/07/18/617920718.db2.gz WCSACERVBMDPKQ-NSHDSACASA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000934775633 618127493 /nfs/dbraw/zinc/12/74/93/618127493.db2.gz MMUGVIPHLHNAIU-RISCZKNCSA-N 1 1 296.367 2.919 20 5 CFBDMO CCC[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891398302 618185087 /nfs/dbraw/zinc/18/50/87/618185087.db2.gz BEMPKDZLTHFLDW-UHFFFAOYSA-N 1 1 268.313 2.541 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000219546720 618202244 /nfs/dbraw/zinc/20/22/44/618202244.db2.gz FUHDVGWKYPEHJT-LBPRGKRZSA-N 1 1 279.384 2.723 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000219546720 618202248 /nfs/dbraw/zinc/20/22/48/618202248.db2.gz FUHDVGWKYPEHJT-LBPRGKRZSA-N 1 1 279.384 2.723 20 5 CFBDMO C[N@H+](CCc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179553075 618326315 /nfs/dbraw/zinc/32/63/15/618326315.db2.gz SGAWUHBQQHUIHQ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](CCc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179553075 618326326 /nfs/dbraw/zinc/32/63/26/618326326.db2.gz SGAWUHBQQHUIHQ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO COc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)cc1 ZINC000930928430 618338389 /nfs/dbraw/zinc/33/83/89/618338389.db2.gz FZZVMUMHIBSDPU-INIZCTEOSA-N 1 1 286.331 2.651 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350988 618376033 /nfs/dbraw/zinc/37/60/33/618376033.db2.gz QXBCFDONOOYGSB-ZFWWWQNUSA-N 1 1 278.352 2.893 20 5 CFBDMO Cc1cc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000895192385 618458433 /nfs/dbraw/zinc/45/84/33/618458433.db2.gz GRCHVZSIHADADL-NWDGAFQWSA-N 1 1 293.342 2.715 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O ZINC000783558559 618717290 /nfs/dbraw/zinc/71/72/90/618717290.db2.gz DHXBJLBMWLKECL-SNVBAGLBSA-N 1 1 286.759 2.839 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000832337333 625288753 /nfs/dbraw/zinc/28/87/53/625288753.db2.gz SVEUGDNCZZDMHB-HNNXBMFYSA-N 1 1 294.326 2.736 20 5 CFBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931391471 618960196 /nfs/dbraw/zinc/96/01/96/618960196.db2.gz FXSNTPQLASXNAC-BETUJISGSA-N 1 1 295.770 2.527 20 5 CFBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677235 619154152 /nfs/dbraw/zinc/15/41/52/619154152.db2.gz RCLAPXHPXVRWRF-PWSUYJOCSA-N 1 1 294.351 2.929 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000895572120 619556726 /nfs/dbraw/zinc/55/67/26/619556726.db2.gz SKCSIEYESODLPI-ZJUUUORDSA-N 1 1 299.421 2.648 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)s1 ZINC000895572120 619556728 /nfs/dbraw/zinc/55/67/28/619556728.db2.gz SKCSIEYESODLPI-ZJUUUORDSA-N 1 1 299.421 2.648 20 5 CFBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000895739218 619593605 /nfs/dbraw/zinc/59/36/05/619593605.db2.gz YAPPFXZPYLHMFF-JQWIXIFHSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000895738453 619598052 /nfs/dbraw/zinc/59/80/52/619598052.db2.gz LQQVUILFJZHJJO-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738280 619598173 /nfs/dbraw/zinc/59/81/73/619598173.db2.gz UKJPBPJHQJIYFK-ZWNOBZJWSA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564632 625417022 /nfs/dbraw/zinc/41/70/22/625417022.db2.gz IHMWMSLRODSRHI-FZMZJTMJSA-N 1 1 278.352 2.891 20 5 CFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564634 625417563 /nfs/dbraw/zinc/41/75/63/625417563.db2.gz IHMWMSLRODSRHI-RISCZKNCSA-N 1 1 278.352 2.891 20 5 CFBDMO CC1CC[NH+](c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905299404 621744799 /nfs/dbraw/zinc/74/47/99/621744799.db2.gz IQEHOGPJIKWYIN-UHFFFAOYSA-N 1 1 263.341 2.612 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053766 625569277 /nfs/dbraw/zinc/56/92/77/625569277.db2.gz UYWWFAWFNYNUJD-LLVKDONJSA-N 1 1 284.743 2.717 20 5 CFBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000842075690 622837303 /nfs/dbraw/zinc/83/73/03/622837303.db2.gz HFXZXOPDNVOKHK-UHFFFAOYSA-N 1 1 297.261 2.847 20 5 CFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261397 623268566 /nfs/dbraw/zinc/26/85/66/623268566.db2.gz XDZICSVLFVCVLG-CQSZACIVSA-N 1 1 282.315 2.735 20 5 CFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000823509914 623338319 /nfs/dbraw/zinc/33/83/19/623338319.db2.gz UDRHIKJBLYCXFM-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174257188 623405005 /nfs/dbraw/zinc/40/50/05/623405005.db2.gz BRDYLAMTPVSWRN-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCCC2)c1Br ZINC000232478047 623417879 /nfs/dbraw/zinc/41/78/79/623417879.db2.gz JTXGXRSNQREGLC-UHFFFAOYSA-N 1 1 285.141 2.953 20 5 CFBDMO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000824462744 623510468 /nfs/dbraw/zinc/51/04/68/623510468.db2.gz KGZWWSKWHSNGSA-VIFPVBQESA-N 1 1 294.742 2.833 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153273792 623911772 /nfs/dbraw/zinc/91/17/72/623911772.db2.gz NZDVJZJNJWEBTQ-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153273792 623911775 /nfs/dbraw/zinc/91/17/75/623911775.db2.gz NZDVJZJNJWEBTQ-LBPRGKRZSA-N 1 1 280.372 2.897 20 5 CFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C/C=C\CO ZINC000826943749 623912635 /nfs/dbraw/zinc/91/26/35/623912635.db2.gz ZSJQYAVROPILDP-UPHRSURJSA-N 1 1 291.134 2.540 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000827288549 623982552 /nfs/dbraw/zinc/98/25/52/623982552.db2.gz ZMAPNZVTCRTTOG-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO CCC[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519947 624021964 /nfs/dbraw/zinc/02/19/64/624021964.db2.gz XIPBXGSRUVULNS-GFCCVEGCSA-N 1 1 297.786 2.822 20 5 CFBDMO CCCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519947 624021970 /nfs/dbraw/zinc/02/19/70/624021970.db2.gz XIPBXGSRUVULNS-GFCCVEGCSA-N 1 1 297.786 2.822 20 5 CFBDMO C[N@H+]1CCC[C@@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000917419170 624339667 /nfs/dbraw/zinc/33/96/67/624339667.db2.gz KHWPFVDGEPYSBZ-OAHLLOKOSA-N 1 1 286.335 2.553 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000829012437 624355124 /nfs/dbraw/zinc/35/51/24/624355124.db2.gz QMIZAUYFLFDCLG-RCBQFDQVSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263976 624942570 /nfs/dbraw/zinc/94/25/70/624942570.db2.gz AQLIZVHVBJIWLS-DOMZBBRYSA-N 1 1 286.335 2.627 20 5 CFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000832084864 625219830 /nfs/dbraw/zinc/21/98/30/625219830.db2.gz OCMCBPWGGWBCNA-CYBMUJFWSA-N 1 1 298.358 2.963 20 5 CFBDMO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000922540230 626306454 /nfs/dbraw/zinc/30/64/54/626306454.db2.gz HVQBVZVLEPICED-LLVKDONJSA-N 1 1 286.335 2.977 20 5 CFBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922947278 626430727 /nfs/dbraw/zinc/43/07/27/626430727.db2.gz GDVQCGOWIWXOOL-UHFFFAOYSA-N 1 1 292.364 2.557 20 5 CFBDMO CC[C@H](C)C[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886033058 626482676 /nfs/dbraw/zinc/48/26/76/626482676.db2.gz RANHHSTYTCAZSR-NSHDSACASA-N 1 1 251.330 2.858 20 5 CFBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000749320311 626540674 /nfs/dbraw/zinc/54/06/74/626540674.db2.gz LPGPRMCKFLPWPO-JTQLQIEISA-N 1 1 297.305 2.546 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669353 626551720 /nfs/dbraw/zinc/55/17/20/626551720.db2.gz OVRVSJVCGLYOCC-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839669353 626551721 /nfs/dbraw/zinc/55/17/21/626551721.db2.gz OVRVSJVCGLYOCC-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO COC(C)(C)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000758812173 626609620 /nfs/dbraw/zinc/60/96/20/626609620.db2.gz IMHJEODSHORCAP-UHFFFAOYSA-N 1 1 270.304 2.591 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761043078 626792719 /nfs/dbraw/zinc/79/27/19/626792719.db2.gz SZYLNAMLCULWHQ-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761043078 626792723 /nfs/dbraw/zinc/79/27/23/626792723.db2.gz SZYLNAMLCULWHQ-JTQLQIEISA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[C@H]43)co2)cc1 ZINC000761100238 626804529 /nfs/dbraw/zinc/80/45/29/626804529.db2.gz YLXQLAIIYAWWNR-SMDDNHRTSA-N 1 1 285.303 2.844 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]4C[C@H]43)co2)cc1 ZINC000761100238 626804532 /nfs/dbraw/zinc/80/45/32/626804532.db2.gz YLXQLAIIYAWWNR-SMDDNHRTSA-N 1 1 285.303 2.844 20 5 CFBDMO CC[N@@H+]1C[C@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636632 627151816 /nfs/dbraw/zinc/15/18/16/627151816.db2.gz SJKODPWEIBXCSX-ZJUUUORDSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636632 627151817 /nfs/dbraw/zinc/15/18/17/627151817.db2.gz SJKODPWEIBXCSX-ZJUUUORDSA-N 1 1 299.321 2.792 20 5 CFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000767458418 627253008 /nfs/dbraw/zinc/25/30/08/627253008.db2.gz HKOHWLXFUXKPRB-JTQLQIEISA-N 1 1 292.364 2.774 20 5 CFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000768771933 627370898 /nfs/dbraw/zinc/37/08/98/627370898.db2.gz MCXPHKZOCURHLT-GHMZBOCLSA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@H+]1C ZINC000768773172 627371081 /nfs/dbraw/zinc/37/10/81/627371081.db2.gz PTIONFZKFNKIOV-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]1COCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769455661 627441792 /nfs/dbraw/zinc/44/17/92/627441792.db2.gz GYYRECARWJVTKP-RYWCDNDXSA-N 1 1 276.336 2.576 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000774534785 627936015 /nfs/dbraw/zinc/93/60/15/627936015.db2.gz SWMQSTQJOYLLON-WFASDCNBSA-N 1 1 277.368 2.904 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000774827651 627967630 /nfs/dbraw/zinc/96/76/30/627967630.db2.gz SHIQETFPESPKCV-UHFFFAOYSA-N 1 1 277.280 2.630 20 5 CFBDMO Cc1cccc(NCCNc2sccc2[N+](=O)[O-])[nH+]1 ZINC000775677476 628054224 /nfs/dbraw/zinc/05/42/24/628054224.db2.gz ZGRBTXDFARRYGG-UHFFFAOYSA-N 1 1 278.337 2.884 20 5 CFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782469 628067293 /nfs/dbraw/zinc/06/72/93/628067293.db2.gz IDVBSGKKOHZIRO-NILFDRSVSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279066 628125848 /nfs/dbraw/zinc/12/58/48/628125848.db2.gz WYPKRWJMAZDBPX-DOMZBBRYSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776584290 628161480 /nfs/dbraw/zinc/16/14/80/628161480.db2.gz KIBVIDBZZYHBLC-JMSVASOKSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000776593038 628163134 /nfs/dbraw/zinc/16/31/34/628163134.db2.gz UISNJXWOHDMMTP-LZWOXQAQSA-N 1 1 290.363 2.750 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777958000 628266967 /nfs/dbraw/zinc/26/69/67/628266967.db2.gz WZUHNCOORXGQEN-LBPRGKRZSA-N 1 1 286.335 2.900 20 5 CFBDMO Cc1nn(C[NH+]2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000779865711 628415524 /nfs/dbraw/zinc/41/55/24/628415524.db2.gz OIYRJKUWEHDRLT-UHFFFAOYSA-N 1 1 278.356 2.713 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350127 628808271 /nfs/dbraw/zinc/80/82/71/628808271.db2.gz YETSUWSORWQWJJ-WFASDCNBSA-N 1 1 292.379 2.996 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514524 628822963 /nfs/dbraw/zinc/82/29/63/628822963.db2.gz XKFPOPXXXVQOIX-UKRRQHHQSA-N 1 1 292.379 2.996 20 5 CFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513655 628823160 /nfs/dbraw/zinc/82/31/60/628823160.db2.gz DRNKUFHCVCROFT-ZFWWWQNUSA-N 1 1 292.379 2.996 20 5 CFBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589639 629083822 /nfs/dbraw/zinc/08/38/22/629083822.db2.gz SHGNCNSIUGSLAL-NEPJUHHUSA-N 1 1 294.399 2.558 20 5 CFBDMO O=[N+]([O-])CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000791052823 629283875 /nfs/dbraw/zinc/28/38/75/629283875.db2.gz FMKRLOSZCOGAPY-UHFFFAOYSA-N 1 1 291.376 2.752 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423207 634742513 /nfs/dbraw/zinc/74/25/13/634742513.db2.gz WWHNFBLQWJRXLP-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852457089 634749490 /nfs/dbraw/zinc/74/94/90/634749490.db2.gz OQCDQKHBQHATTQ-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000794683478 629674727 /nfs/dbraw/zinc/67/47/27/629674727.db2.gz FTMWKVNMWCAJAW-GFCCVEGCSA-N 1 1 280.372 2.876 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000796576221 629937212 /nfs/dbraw/zinc/93/72/12/629937212.db2.gz ALDKKMQKWLSAER-MRXNPFEDSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798964465 630265719 /nfs/dbraw/zinc/26/57/19/630265719.db2.gz QSGJUWYNXTZELA-AWEZNQCLSA-N 1 1 283.331 2.979 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545220 630455794 /nfs/dbraw/zinc/45/57/94/630455794.db2.gz KXMYOXXDEYPUJC-ZETOZRRWSA-N 1 1 296.342 2.715 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804442692 630682144 /nfs/dbraw/zinc/68/21/44/630682144.db2.gz JTQKVDLCGKSBIX-TXEJJXNPSA-N 1 1 292.383 2.852 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000841691344 631452979 /nfs/dbraw/zinc/45/29/79/631452979.db2.gz CHUFVZXUFDXXOW-GRYCIOLGSA-N 1 1 288.351 2.878 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]([NH3+])CC(F)F)n1 ZINC000843187969 631890745 /nfs/dbraw/zinc/89/07/45/631890745.db2.gz VUPAEJBCNLERBC-SECBINFHSA-N 1 1 298.249 2.608 20 5 CFBDMO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000844334873 632172312 /nfs/dbraw/zinc/17/23/12/632172312.db2.gz QYEQDSDLRLKVSR-NSHDSACASA-N 1 1 286.335 2.588 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000844469358 632223429 /nfs/dbraw/zinc/22/34/29/632223429.db2.gz XHHFVKYUUGURQO-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000844469358 632223436 /nfs/dbraw/zinc/22/34/36/632223436.db2.gz XHHFVKYUUGURQO-LBPRGKRZSA-N 1 1 286.253 2.965 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061700 635922332 /nfs/dbraw/zinc/92/23/32/635922332.db2.gz ULDCGQBJAZKDQO-ZYHUDNBSSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477036 633264069 /nfs/dbraw/zinc/26/40/69/633264069.db2.gz NCGIUNVKOYPIQW-LBPRGKRZSA-N 1 1 286.335 2.758 20 5 CFBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000848520908 633275022 /nfs/dbraw/zinc/27/50/22/633275022.db2.gz RXWADYXIMJTXQS-XVKPBYJWSA-N 1 1 283.715 2.903 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850368838 633958408 /nfs/dbraw/zinc/95/84/08/633958408.db2.gz FISYXUBYCKAOHA-GOEBONIOSA-N 1 1 284.315 2.863 20 5 CFBDMO NC(CC1CC1)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853672843 635069753 /nfs/dbraw/zinc/06/97/53/635069753.db2.gz LYVVOHYBHPVZRZ-UHFFFAOYSA-N 1 1 267.260 2.532 20 5 CFBDMO Cn1c[nH+]cc1CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000853673598 635069934 /nfs/dbraw/zinc/06/99/34/635069934.db2.gz YIYMWCKFGJTHHU-UHFFFAOYSA-N 1 1 281.699 2.603 20 5 CFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857858024 636037404 /nfs/dbraw/zinc/03/74/04/636037404.db2.gz KFHUKVKVPVMORH-AWEZNQCLSA-N 1 1 286.335 2.528 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000858780287 636344252 /nfs/dbraw/zinc/34/42/52/636344252.db2.gz MFWKFAQKVXTOOB-CYBMUJFWSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C ZINC000159961041 650286248 /nfs/dbraw/zinc/28/62/48/650286248.db2.gz OLNVWBBGVVQSFE-RYUDHWBXSA-N 1 1 288.351 2.880 20 5 CFBDMO Cc1nn(C[N@H+]2CCCC3(CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000863329480 637629080 /nfs/dbraw/zinc/62/90/80/637629080.db2.gz BYRACPXRPFHOAT-UHFFFAOYSA-N 1 1 278.356 2.632 20 5 CFBDMO C/C=C/C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341136 637631480 /nfs/dbraw/zinc/63/14/80/637631480.db2.gz PRPLIPNUKIPBTL-ITDFMYJTSA-N 1 1 278.356 2.735 20 5 CFBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000863341136 637631482 /nfs/dbraw/zinc/63/14/82/637631482.db2.gz PRPLIPNUKIPBTL-ITDFMYJTSA-N 1 1 278.356 2.735 20 5 CFBDMO CC[NH2+][C@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000863664370 637737287 /nfs/dbraw/zinc/73/72/87/637737287.db2.gz YJVUSCQRQVGYGP-SNVBAGLBSA-N 1 1 290.323 2.548 20 5 CFBDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000077446988 650425332 /nfs/dbraw/zinc/42/53/32/650425332.db2.gz RGTRZWWCQNPNBJ-HNNXBMFYSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000077446988 650425336 /nfs/dbraw/zinc/42/53/36/650425336.db2.gz RGTRZWWCQNPNBJ-HNNXBMFYSA-N 1 1 286.335 2.894 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000120694366 638524710 /nfs/dbraw/zinc/52/47/10/638524710.db2.gz GWBHQNWNSNTMFW-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO CC(C)C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000120694366 638524713 /nfs/dbraw/zinc/52/47/13/638524713.db2.gz GWBHQNWNSNTMFW-LBPRGKRZSA-N 1 1 266.345 2.507 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000866194363 638767410 /nfs/dbraw/zinc/76/74/10/638767410.db2.gz IJEOQGOYTUDOJW-INIZCTEOSA-N 1 1 298.346 2.776 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000866194363 638767413 /nfs/dbraw/zinc/76/74/13/638767413.db2.gz IJEOQGOYTUDOJW-INIZCTEOSA-N 1 1 298.346 2.776 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866195374 638767917 /nfs/dbraw/zinc/76/79/17/638767917.db2.gz SKPKUYWRJDIGPC-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866195374 638767919 /nfs/dbraw/zinc/76/79/19/638767919.db2.gz SKPKUYWRJDIGPC-HNNXBMFYSA-N 1 1 298.346 2.897 20 5 CFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207942 638770841 /nfs/dbraw/zinc/77/08/41/638770841.db2.gz RUYKSSNBSFTBBZ-PWSUYJOCSA-N 1 1 295.770 2.779 20 5 CFBDMO CCC[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121136294 638852228 /nfs/dbraw/zinc/85/22/28/638852228.db2.gz SOIRTAUDLYWGJC-UHFFFAOYSA-N 1 1 262.313 2.552 20 5 CFBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000121748322 638890125 /nfs/dbraw/zinc/89/01/25/638890125.db2.gz NLTKCDCOTLXGBP-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000121748322 638890127 /nfs/dbraw/zinc/89/01/27/638890127.db2.gz NLTKCDCOTLXGBP-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000871935588 641516470 /nfs/dbraw/zinc/51/64/70/641516470.db2.gz ZGWADJDDIJHIPS-UTUOFQBUSA-N 1 1 293.367 2.549 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)[NH+](C)C ZINC000872033940 641564547 /nfs/dbraw/zinc/56/45/47/641564547.db2.gz KLPSPVTVKFZZNM-GHMZBOCLSA-N 1 1 297.424 2.917 20 5 CFBDMO C[C@H]([NH2+]Cc1ccn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040654 641574933 /nfs/dbraw/zinc/57/49/33/641574933.db2.gz MOWOPKYTHPAUAO-JTQLQIEISA-N 1 1 277.299 2.923 20 5 CFBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)[C@@H]1O ZINC000872256286 641720349 /nfs/dbraw/zinc/72/03/49/641720349.db2.gz OBYXPNIVPXSZLN-UHTWSYAYSA-N 1 1 296.392 2.638 20 5 CFBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)[C@@H]1O ZINC000872256286 641720358 /nfs/dbraw/zinc/72/03/58/641720358.db2.gz OBYXPNIVPXSZLN-UHTWSYAYSA-N 1 1 296.392 2.638 20 5 CFBDMO CCN1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009226 641983626 /nfs/dbraw/zinc/98/36/26/641983626.db2.gz ZMGHOXYXZZXXLF-UHFFFAOYSA-N 1 1 291.395 2.786 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000873048311 641994799 /nfs/dbraw/zinc/99/47/99/641994799.db2.gz WHOPVLLICIEHSY-CQSZACIVSA-N 1 1 291.395 2.643 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCC[C@H]1C ZINC000873064712 642000639 /nfs/dbraw/zinc/00/06/39/642000639.db2.gz GKFMJLJDDRRZRB-CYBMUJFWSA-N 1 1 291.395 2.786 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCC[C@H]1C ZINC000873064712 642000644 /nfs/dbraw/zinc/00/06/44/642000644.db2.gz GKFMJLJDDRRZRB-CYBMUJFWSA-N 1 1 291.395 2.786 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000084440104 650774302 /nfs/dbraw/zinc/77/43/02/650774302.db2.gz PEEXFFGGYVTKCI-LBPRGKRZSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000084440104 650774303 /nfs/dbraw/zinc/77/43/03/650774303.db2.gz PEEXFFGGYVTKCI-LBPRGKRZSA-N 1 1 295.770 2.575 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000876739855 642987975 /nfs/dbraw/zinc/98/79/75/642987975.db2.gz KJWKRFYAYPTOOP-CYBMUJFWSA-N 1 1 276.336 2.522 20 5 CFBDMO CCOCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877172606 643188931 /nfs/dbraw/zinc/18/89/31/643188931.db2.gz USJIIAJUVXEZPW-UHFFFAOYSA-N 1 1 266.341 2.680 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000877577571 643374661 /nfs/dbraw/zinc/37/46/61/643374661.db2.gz WWJBZISIYAAPHM-AWEZNQCLSA-N 1 1 292.379 2.806 20 5 CFBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000877604837 643392130 /nfs/dbraw/zinc/39/21/30/643392130.db2.gz HOTBEMLTPGGRDP-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000877604837 643392134 /nfs/dbraw/zinc/39/21/34/643392134.db2.gz HOTBEMLTPGGRDP-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000877604837 643392138 /nfs/dbraw/zinc/39/21/38/643392138.db2.gz HOTBEMLTPGGRDP-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO CC(C)(O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877835346 643602251 /nfs/dbraw/zinc/60/22/51/643602251.db2.gz PKSULHPASVZALB-HZRUHFOJSA-N 1 1 290.363 2.701 20 5 CFBDMO CCCC[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877900291 643630669 /nfs/dbraw/zinc/63/06/69/643630669.db2.gz IDPNMVSFLOTVAD-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO CO[C@H]1CC[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319672 644224084 /nfs/dbraw/zinc/22/40/84/644224084.db2.gz DEAQJNRLSYFWQF-WFASDCNBSA-N 1 1 278.352 2.637 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322522 644227883 /nfs/dbraw/zinc/22/78/83/644227883.db2.gz WLFSFIMLBBNETE-DGCLKSJQSA-N 1 1 294.351 2.603 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879328178 644233547 /nfs/dbraw/zinc/23/35/47/644233547.db2.gz YJAOIGCJRPZFHN-BXUZGUMPSA-N 1 1 294.351 2.603 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879530655 644308772 /nfs/dbraw/zinc/30/87/72/644308772.db2.gz VUZIOXXBSDFDQP-IJEWVQPXSA-N 1 1 288.347 2.526 20 5 CFBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879962629 644478711 /nfs/dbraw/zinc/47/87/11/644478711.db2.gz VFZCUXNGFPQNEK-LLVKDONJSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000880141242 644551419 /nfs/dbraw/zinc/55/14/19/644551419.db2.gz OJINHVAUIQXVIX-GJZGRUSLSA-N 1 1 289.379 2.572 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CF)C3)nc2c1 ZINC000880233515 644594589 /nfs/dbraw/zinc/59/45/89/644594589.db2.gz LDOFLYLFIDKUCL-JTQLQIEISA-N 1 1 293.298 2.918 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CF)C3)nc2c1 ZINC000880233515 644594591 /nfs/dbraw/zinc/59/45/91/644594591.db2.gz LDOFLYLFIDKUCL-JTQLQIEISA-N 1 1 293.298 2.918 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CF)C3)nc2c1 ZINC000880233516 644594849 /nfs/dbraw/zinc/59/48/49/644594849.db2.gz LDOFLYLFIDKUCL-SNVBAGLBSA-N 1 1 293.298 2.918 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CF)C3)nc2c1 ZINC000880233516 644594851 /nfs/dbraw/zinc/59/48/51/644594851.db2.gz LDOFLYLFIDKUCL-SNVBAGLBSA-N 1 1 293.298 2.918 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880294489 644633079 /nfs/dbraw/zinc/63/30/79/644633079.db2.gz BSKMOWWTIRGBPP-VIFPVBQESA-N 1 1 256.252 2.525 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880294489 644633083 /nfs/dbraw/zinc/63/30/83/644633083.db2.gz BSKMOWWTIRGBPP-VIFPVBQESA-N 1 1 256.252 2.525 20 5 CFBDMO CC(=O)c1c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016734 645177211 /nfs/dbraw/zinc/17/72/11/645177211.db2.gz AMYSMECTDMMHMV-CMPLNLGQSA-N 1 1 291.351 2.692 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000882959115 645529213 /nfs/dbraw/zinc/52/92/13/645529213.db2.gz VKABZEKOWXQHST-GFCCVEGCSA-N 1 1 286.335 2.649 20 5 CFBDMO CC[N@@H+]1CC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958632 645529326 /nfs/dbraw/zinc/52/93/26/645529326.db2.gz GHQNKMIHVBMBLT-SECBINFHSA-N 1 1 299.758 2.763 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958632 645529332 /nfs/dbraw/zinc/52/93/32/645529332.db2.gz GHQNKMIHVBMBLT-SECBINFHSA-N 1 1 299.758 2.763 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882961857 645532122 /nfs/dbraw/zinc/53/21/22/645532122.db2.gz ZNMIPEKDMXNQBH-LLVKDONJSA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000097507035 651030372 /nfs/dbraw/zinc/03/03/72/651030372.db2.gz KFQIFVQQSNJSAL-ZDUSSCGKSA-N 1 1 278.356 2.794 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cncs2)c1 ZINC000133126817 646035480 /nfs/dbraw/zinc/03/54/80/646035480.db2.gz YEGNHFQKRVRYGQ-UHFFFAOYSA-N 1 1 283.740 2.995 20 5 CFBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[N@@H+]1C ZINC000135271360 646501951 /nfs/dbraw/zinc/50/19/51/646501951.db2.gz AFOHRKYORQPVSI-PHIMTYICSA-N 1 1 297.786 2.773 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885937620 646774802 /nfs/dbraw/zinc/77/48/02/646774802.db2.gz FNANBYAPHHVKNX-GOEBONIOSA-N 1 1 290.363 2.984 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885937620 646774809 /nfs/dbraw/zinc/77/48/09/646774809.db2.gz FNANBYAPHHVKNX-GOEBONIOSA-N 1 1 290.363 2.984 20 5 CFBDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886046861 646840896 /nfs/dbraw/zinc/84/08/96/646840896.db2.gz RAQOFHSTUASVTP-CQSZACIVSA-N 1 1 286.335 2.665 20 5 CFBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886046861 646840904 /nfs/dbraw/zinc/84/09/04/646840904.db2.gz RAQOFHSTUASVTP-CQSZACIVSA-N 1 1 286.335 2.665 20 5 CFBDMO COc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886107764 646875622 /nfs/dbraw/zinc/87/56/22/646875622.db2.gz ZJNBMPZTRDLKMQ-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886125186 646883576 /nfs/dbraw/zinc/88/35/76/646883576.db2.gz KUFDFNAPYSIKKO-GFCCVEGCSA-N 1 1 263.341 2.858 20 5 CFBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166990 646904588 /nfs/dbraw/zinc/90/45/88/646904588.db2.gz XNQJMKGWMPNHBY-IJLUTSLNSA-N 1 1 263.341 2.856 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000886250026 646937181 /nfs/dbraw/zinc/93/71/81/646937181.db2.gz ZABRJNJXMBSEDX-ZDUSSCGKSA-N 1 1 293.392 2.707 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000886250026 646937185 /nfs/dbraw/zinc/93/71/85/646937185.db2.gz ZABRJNJXMBSEDX-ZDUSSCGKSA-N 1 1 293.392 2.707 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000886268898 646942504 /nfs/dbraw/zinc/94/25/04/646942504.db2.gz FHYBPKPQAQMDSJ-GFCCVEGCSA-N 1 1 283.278 2.611 20 5 CFBDMO C[C@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000886296872 646957079 /nfs/dbraw/zinc/95/70/79/646957079.db2.gz CKKPWKNHIMTHCP-UWVGGRQHSA-N 1 1 285.294 2.713 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000886625338 647075232 /nfs/dbraw/zinc/07/52/32/647075232.db2.gz NZENEQSCHLWKBM-HZPDHXFCSA-N 1 1 290.363 2.640 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815669 647149107 /nfs/dbraw/zinc/14/91/07/647149107.db2.gz HXYBGIMZOHXOSN-GDBMZVCRSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834734 647157691 /nfs/dbraw/zinc/15/76/91/647157691.db2.gz CCKKFKHYUUGWIM-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCF ZINC000887139947 647228352 /nfs/dbraw/zinc/22/83/52/647228352.db2.gz KSDQANDFCDCKJV-UHFFFAOYSA-N 1 1 297.330 2.523 20 5 CFBDMO C[C@@H]([NH3+])[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496673 647883671 /nfs/dbraw/zinc/88/36/71/647883671.db2.gz RZQBOLATNSNDEL-DYVFJYSZSA-N 1 1 299.374 2.815 20 5 CFBDMO C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925675233 648275778 /nfs/dbraw/zinc/27/57/78/648275778.db2.gz MKNFFIOTRSWFKC-ZLKJLUDKSA-N 1 1 275.352 2.515 20 5 CFBDMO Cc1c([C@H](C)NCCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000925742209 648306483 /nfs/dbraw/zinc/30/64/83/648306483.db2.gz QELFIXYSFGELPF-NSHDSACASA-N 1 1 265.357 2.681 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000930449841 649250172 /nfs/dbraw/zinc/25/01/72/649250172.db2.gz GLQSWSIIENYTPQ-RBSFLKMASA-N 1 1 260.337 2.531 20 5 CFBDMO Cc1c2cccc(C)c2oc1C[N@H+](C)CC[N+](=O)[O-] ZINC000930856226 649337464 /nfs/dbraw/zinc/33/74/64/649337464.db2.gz MOEZXQVWNZCGOY-UHFFFAOYSA-N 1 1 262.309 2.758 20 5 CFBDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000930856226 649337465 /nfs/dbraw/zinc/33/74/65/649337465.db2.gz MOEZXQVWNZCGOY-UHFFFAOYSA-N 1 1 262.309 2.758 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432669 649425592 /nfs/dbraw/zinc/42/55/92/649425592.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432669 649425598 /nfs/dbraw/zinc/42/55/98/649425598.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432669 649425602 /nfs/dbraw/zinc/42/56/02/649425602.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 1 1 289.379 2.539 20 5 CFBDMO C[N@H+]1CCc2ncc(Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC001204416271 769850578 /nfs/dbraw/zinc/85/05/78/769850578.db2.gz TZGIKIQEXCJGCZ-UHFFFAOYSA-N 1 1 284.319 2.721 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001167278631 770200214 /nfs/dbraw/zinc/20/02/14/770200214.db2.gz PAOQHMXBSJTVOW-NTYUQYKDSA-N 1 1 281.743 2.703 20 5 CFBDMO C[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000723014649 770445813 /nfs/dbraw/zinc/44/58/13/770445813.db2.gz IAHGNZSLGYLHRJ-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000723014649 770445817 /nfs/dbraw/zinc/44/58/17/770445817.db2.gz IAHGNZSLGYLHRJ-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926953 775284673 /nfs/dbraw/zinc/28/46/73/775284673.db2.gz PVBRRMPJKXCQHN-OCCSQVGLSA-N 1 1 277.368 2.730 20 5 CFBDMO Cc1cccc(O[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225631044 775533647 /nfs/dbraw/zinc/53/36/47/775533647.db2.gz CKPMAGUCSJRNGV-GFCCVEGCSA-N 1 1 264.325 2.765 20 5 CFBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(C)CO ZINC000694709175 775552679 /nfs/dbraw/zinc/55/26/79/775552679.db2.gz ZZMUFRSZYSUVMC-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(C)CO ZINC000694709175 775552683 /nfs/dbraw/zinc/55/26/83/775552683.db2.gz ZZMUFRSZYSUVMC-IINYFYTJSA-N 1 1 298.770 2.699 20 5 CFBDMO Cc1c(OC2C[NH+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689312 775559890 /nfs/dbraw/zinc/55/98/90/775559890.db2.gz FGWGAGFJSMYKTD-UHFFFAOYSA-N 1 1 264.325 2.765 20 5 CFBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1F ZINC001225797541 775597380 /nfs/dbraw/zinc/59/73/80/775597380.db2.gz WPGFUXDHPUYZJO-HBYGRHMLSA-N 1 1 294.326 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000293348605 775621654 /nfs/dbraw/zinc/62/16/54/775621654.db2.gz ZDXYAIZFYRAOMW-NSHDSACASA-N 1 1 298.770 2.843 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cccc1[N+](=O)[O-])C2 ZINC001226008091 775665726 /nfs/dbraw/zinc/66/57/26/775665726.db2.gz YACCVLWZVNDIKD-URLYPYJESA-N 1 1 280.299 2.738 20 5 CFBDMO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203509 775737275 /nfs/dbraw/zinc/73/72/75/775737275.db2.gz HLTUIQOOXRTFLH-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203509 775737281 /nfs/dbraw/zinc/73/72/81/775737281.db2.gz HLTUIQOOXRTFLH-ZETCQYMHSA-N 1 1 291.134 2.985 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226254548 775757735 /nfs/dbraw/zinc/75/77/35/775757735.db2.gz AQIYNDKHUMCDCY-JTQLQIEISA-N 1 1 285.731 2.506 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C2 ZINC001226365691 775792595 /nfs/dbraw/zinc/79/25/95/775792595.db2.gz FGTIFSQZSKAKBP-ILWJIGKKSA-N 1 1 297.742 2.647 20 5 CFBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226950395 776031113 /nfs/dbraw/zinc/03/11/13/776031113.db2.gz IZUPIYXVKMTUAR-GFCCVEGCSA-N 1 1 264.325 2.766 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226997486 776054424 /nfs/dbraw/zinc/05/44/24/776054424.db2.gz XAWOTVRFPRDHCN-CYBMUJFWSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001227061825 776080701 /nfs/dbraw/zinc/08/07/01/776080701.db2.gz AWRGGFUVWFNYNR-GFCCVEGCSA-N 1 1 279.340 2.550 20 5 CFBDMO CCCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H](C)CC ZINC000123704743 776098208 /nfs/dbraw/zinc/09/82/08/776098208.db2.gz GNZREFYGOAREEQ-LLVKDONJSA-N 1 1 254.334 2.649 20 5 CFBDMO C[N@H+]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227211404 776138957 /nfs/dbraw/zinc/13/89/57/776138957.db2.gz PCRZODHQKKRHDF-GFCCVEGCSA-N 1 1 272.304 2.831 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791064 776306995 /nfs/dbraw/zinc/30/69/95/776306995.db2.gz IMJGRZBBEYEIQS-HNNXBMFYSA-N 1 1 278.352 2.984 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228054816 776379049 /nfs/dbraw/zinc/37/90/49/776379049.db2.gz PIISVPWYXSBUMW-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO Cc1[nH+]c(N)ccc1CNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167785749 776384491 /nfs/dbraw/zinc/38/44/91/776384491.db2.gz CBURNAVHWOPRPM-UHFFFAOYSA-N 1 1 294.261 2.771 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001228915465 776657768 /nfs/dbraw/zinc/65/77/68/776657768.db2.gz FFCVXMIJCZAMFI-ZDUSSCGKSA-N 1 1 264.325 2.765 20 5 CFBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229197422 776749339 /nfs/dbraw/zinc/74/93/39/776749339.db2.gz GPXIIUCBHHJHRN-LBPRGKRZSA-N 1 1 282.315 2.904 20 5 CFBDMO C[N@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229485606 776827115 /nfs/dbraw/zinc/82/71/15/776827115.db2.gz BWAZTASCDSJFPH-LLVKDONJSA-N 1 1 291.307 2.599 20 5 CFBDMO CC(C)[NH+]1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225492708 776993024 /nfs/dbraw/zinc/99/30/24/776993024.db2.gz ZTMHONDPEZTJCN-UHFFFAOYSA-N 1 1 280.324 2.552 20 5 CFBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001230471846 776996477 /nfs/dbraw/zinc/99/64/77/776996477.db2.gz SLJYCZHIBGYTMA-GFCCVEGCSA-N 1 1 264.325 2.685 20 5 CFBDMO Cc1cc(O[C@@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1C ZINC001230478090 776997107 /nfs/dbraw/zinc/99/71/07/776997107.db2.gz SKCVCEACTUAGCC-GFCCVEGCSA-N 1 1 287.319 2.802 20 5 CFBDMO C[N@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230917850 777092493 /nfs/dbraw/zinc/09/24/93/777092493.db2.gz KPMBSKBGLJLLPU-VIFPVBQESA-N 1 1 270.716 2.721 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498240 777970629 /nfs/dbraw/zinc/97/06/29/777970629.db2.gz KFNHIRMNUINXBM-CYBMUJFWSA-N 1 1 292.335 2.661 20 5 CFBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c([N+](=O)[O-])c(F)c1)C2 ZINC001233751254 778064817 /nfs/dbraw/zinc/06/48/17/778064817.db2.gz RZMKIKHRBWTNCS-ILWJIGKKSA-N 1 1 298.289 2.877 20 5 CFBDMO CC[N@H+]1CC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777418 778074883 /nfs/dbraw/zinc/07/48/83/778074883.db2.gz AFKNJDRLNLXZCU-LLVKDONJSA-N 1 1 287.319 2.616 20 5 CFBDMO C[C@@H](O[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019828 778396960 /nfs/dbraw/zinc/39/69/60/778396960.db2.gz MVJPJQKTRPSABN-RISCZKNCSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@H](O[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019827 778396388 /nfs/dbraw/zinc/39/63/88/778396388.db2.gz MVJPJQKTRPSABN-FZMZJTMJSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000706766859 781201270 /nfs/dbraw/zinc/20/12/70/781201270.db2.gz WRGIZCJYZUQIBT-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000706766859 781201272 /nfs/dbraw/zinc/20/12/72/781201272.db2.gz WRGIZCJYZUQIBT-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000594609162 349461409 /nfs/dbraw/zinc/46/14/09/349461409.db2.gz RAJOCDZVLASXML-UHFFFAOYSA-N 1 1 268.263 2.744 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125084024 187168924 /nfs/dbraw/zinc/16/89/24/187168924.db2.gz YOOSPRVVWGSSRW-LLVKDONJSA-N 1 1 292.335 2.693 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000595001455 349544155 /nfs/dbraw/zinc/54/41/55/349544155.db2.gz UQBHCFCZELCFGW-UHFFFAOYSA-N 1 1 279.384 2.805 20 5 CFBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000595001455 349544158 /nfs/dbraw/zinc/54/41/58/349544158.db2.gz UQBHCFCZELCFGW-UHFFFAOYSA-N 1 1 279.384 2.805 20 5 CFBDMO CCC[N@@H+]1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097148 349581643 /nfs/dbraw/zinc/58/16/43/349581643.db2.gz QIIDCTOWZIROGA-DOMZBBRYSA-N 1 1 289.379 2.656 20 5 CFBDMO CCC[N@H+]1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097148 349581644 /nfs/dbraw/zinc/58/16/44/349581644.db2.gz QIIDCTOWZIROGA-DOMZBBRYSA-N 1 1 289.379 2.656 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595316891 349600073 /nfs/dbraw/zinc/60/00/73/349600073.db2.gz AORMVFRPXQPCCU-NSHDSACASA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330161 349603102 /nfs/dbraw/zinc/60/31/02/349603102.db2.gz KAUFDZDKXSRYCL-UWVGGRQHSA-N 1 1 252.289 2.964 20 5 CFBDMO CC1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331528 349603464 /nfs/dbraw/zinc/60/34/64/349603464.db2.gz WNZBTEUWEYVPKR-UHFFFAOYSA-N 1 1 252.289 2.966 20 5 CFBDMO Cc1noc(C[N@@H+](CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000595291332 349592365 /nfs/dbraw/zinc/59/23/65/349592365.db2.gz QMOKDFNHNXGEHM-UHFFFAOYSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@H+](CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000595291332 349592370 /nfs/dbraw/zinc/59/23/70/349592370.db2.gz QMOKDFNHNXGEHM-UHFFFAOYSA-N 1 1 267.329 2.902 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595292537 349592375 /nfs/dbraw/zinc/59/23/75/349592375.db2.gz RWHXUHMAKIGYKP-SNVBAGLBSA-N 1 1 252.289 2.966 20 5 CFBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000595294569 349593352 /nfs/dbraw/zinc/59/33/52/349593352.db2.gz PNQGFRDBQCDZIE-SNVBAGLBSA-N 1 1 255.318 2.758 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000595297353 349594713 /nfs/dbraw/zinc/59/47/13/349594713.db2.gz RQPKIHUCBGIGAM-SECBINFHSA-N 1 1 253.302 2.513 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000595296032 349594906 /nfs/dbraw/zinc/59/49/06/349594906.db2.gz VYRZJRYXRZXIDB-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000595296032 349594911 /nfs/dbraw/zinc/59/49/11/349594911.db2.gz VYRZJRYXRZXIDB-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000595305212 349597875 /nfs/dbraw/zinc/59/78/75/349597875.db2.gz YRBWJESTDBOKPW-LLVKDONJSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000595337923 349605651 /nfs/dbraw/zinc/60/56/51/349605651.db2.gz DHGCTIQIILCVFG-VIFPVBQESA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000595337923 349605653 /nfs/dbraw/zinc/60/56/53/349605653.db2.gz DHGCTIQIILCVFG-VIFPVBQESA-N 1 1 253.302 2.512 20 5 CFBDMO CC[C@@]1(C)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595346022 349607749 /nfs/dbraw/zinc/60/77/49/349607749.db2.gz SRUASWJMGHFBDV-LBPRGKRZSA-N 1 1 253.302 2.513 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595346020 349607792 /nfs/dbraw/zinc/60/77/92/349607792.db2.gz SRUASWJMGHFBDV-GFCCVEGCSA-N 1 1 253.302 2.513 20 5 CFBDMO CC(C)=CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370195 349611382 /nfs/dbraw/zinc/61/13/82/349611382.db2.gz DHGJBGBPKHVWSL-ZDUSSCGKSA-N 1 1 290.367 2.832 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000595337887 349605234 /nfs/dbraw/zinc/60/52/34/349605234.db2.gz CJWUYCYPDIPBKD-JSGCOSHPSA-N 1 1 294.326 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCSCC1 ZINC000595391243 349615374 /nfs/dbraw/zinc/61/53/74/349615374.db2.gz IBWYRMKROHANKN-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCSCC1 ZINC000595391243 349615376 /nfs/dbraw/zinc/61/53/76/349615376.db2.gz IBWYRMKROHANKN-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000595396513 349616450 /nfs/dbraw/zinc/61/64/50/349616450.db2.gz WNSNZJALFDWTSU-YPMHNXCESA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1noc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000595447299 349628699 /nfs/dbraw/zinc/62/86/99/349628699.db2.gz GVXAQATUPDHPJA-QMMMGPOBSA-N 1 1 295.261 2.958 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000595521401 349650463 /nfs/dbraw/zinc/65/04/63/349650463.db2.gz RSTAWSNPOHIKNN-CYBMUJFWSA-N 1 1 298.358 2.963 20 5 CFBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595505931 349645899 /nfs/dbraw/zinc/64/58/99/349645899.db2.gz XROUOBQMNIPFGZ-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595505931 349645905 /nfs/dbraw/zinc/64/59/05/349645905.db2.gz XROUOBQMNIPFGZ-HNNXBMFYSA-N 1 1 296.342 2.981 20 5 CFBDMO CS[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511149 349646904 /nfs/dbraw/zinc/64/69/04/349646904.db2.gz QFVNGSNVZFTJEB-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511149 349646907 /nfs/dbraw/zinc/64/69/07/349646907.db2.gz QFVNGSNVZFTJEB-NSHDSACASA-N 1 1 270.329 2.671 20 5 CFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595534078 349653303 /nfs/dbraw/zinc/65/33/03/349653303.db2.gz BOMFUMKIMXHPEJ-CYBMUJFWSA-N 1 1 277.368 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000595566353 349662312 /nfs/dbraw/zinc/66/23/12/349662312.db2.gz HOVWCCFPLCBXPT-GWCFXTLKSA-N 1 1 262.309 2.675 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601422 349670902 /nfs/dbraw/zinc/67/09/02/349670902.db2.gz RLIHDLCOWFDLEC-SNVBAGLBSA-N 1 1 252.314 2.921 20 5 CFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679770 349698624 /nfs/dbraw/zinc/69/86/24/349698624.db2.gz XXLOYSNIRIJVRS-ZYHUDNBSSA-N 1 1 284.381 2.639 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1=CCCOC1 ZINC000595751008 349722800 /nfs/dbraw/zinc/72/28/00/349722800.db2.gz FHOHGRBUKSDZDF-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1=CCCOC1 ZINC000595751008 349722802 /nfs/dbraw/zinc/72/28/02/349722802.db2.gz FHOHGRBUKSDZDF-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755810 349723437 /nfs/dbraw/zinc/72/34/37/349723437.db2.gz CYNODQCANAIEQZ-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595755810 349723438 /nfs/dbraw/zinc/72/34/38/349723438.db2.gz CYNODQCANAIEQZ-FZMZJTMJSA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595873280 349759866 /nfs/dbraw/zinc/75/98/66/349759866.db2.gz LFHGYVFEFJCECV-XEZPLFJOSA-N 1 1 292.379 2.915 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835774 349748127 /nfs/dbraw/zinc/74/81/27/349748127.db2.gz VGTWWKIRVGXKST-AGIUHOORSA-N 1 1 276.336 2.624 20 5 CFBDMO COc1cc(C[N@@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1F ZINC000595920156 349770140 /nfs/dbraw/zinc/77/01/40/349770140.db2.gz NZURKVAMRAIKKP-UHFFFAOYSA-N 1 1 280.299 2.727 20 5 CFBDMO COc1cc(C[N@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1F ZINC000595920156 349770144 /nfs/dbraw/zinc/77/01/44/349770144.db2.gz NZURKVAMRAIKKP-UHFFFAOYSA-N 1 1 280.299 2.727 20 5 CFBDMO Cc1cc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000596126151 349800395 /nfs/dbraw/zinc/80/03/95/349800395.db2.gz IKNYCBPQJCWDMP-UHFFFAOYSA-N 1 1 281.381 2.639 20 5 CFBDMO CC(C)=CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072822310 346941778 /nfs/dbraw/zinc/94/17/78/346941778.db2.gz LEEBYDUKTACNGU-UHFFFAOYSA-N 1 1 275.352 2.683 20 5 CFBDMO Cc1cc(CO)cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000596184026 349820010 /nfs/dbraw/zinc/82/00/10/349820010.db2.gz DGNLCXWRGXUZNJ-NSHDSACASA-N 1 1 287.319 2.964 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000596307335 349858427 /nfs/dbraw/zinc/85/84/27/349858427.db2.gz KRJHYIAOEJTJHZ-NSHDSACASA-N 1 1 293.367 2.888 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596309533 349859998 /nfs/dbraw/zinc/85/99/98/349859998.db2.gz UAEDGYTXLAJYRW-NSHDSACASA-N 1 1 293.367 2.888 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000596307334 349857833 /nfs/dbraw/zinc/85/78/33/349857833.db2.gz KRJHYIAOEJTJHZ-LLVKDONJSA-N 1 1 293.367 2.888 20 5 CFBDMO CS[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295079754 199334383 /nfs/dbraw/zinc/33/43/83/199334383.db2.gz QDMRBBSDKPWFMA-VIFPVBQESA-N 1 1 258.368 2.594 20 5 CFBDMO CS[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295079754 199334384 /nfs/dbraw/zinc/33/43/84/199334384.db2.gz QDMRBBSDKPWFMA-VIFPVBQESA-N 1 1 258.368 2.594 20 5 CFBDMO Cc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337624 349869227 /nfs/dbraw/zinc/86/92/27/349869227.db2.gz YUAKLYAVLMPMPN-LLVKDONJSA-N 1 1 278.356 2.583 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000413442286 530054978 /nfs/dbraw/zinc/05/49/78/530054978.db2.gz QIDCOAVINWTZTG-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000413441178 530054997 /nfs/dbraw/zinc/05/49/97/530054997.db2.gz PMTDLOITKWCXLK-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007787640 346219029 /nfs/dbraw/zinc/21/90/29/346219029.db2.gz RQNOSAYGQTXAQW-LLVKDONJSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000007787640 346219033 /nfs/dbraw/zinc/21/90/33/346219033.db2.gz RQNOSAYGQTXAQW-LLVKDONJSA-N 1 1 291.351 2.574 20 5 CFBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000026940737 346267313 /nfs/dbraw/zinc/26/73/13/346267313.db2.gz JEYSPUCXLBCTFW-UHFFFAOYSA-N 1 1 292.335 2.834 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000046055573 346419029 /nfs/dbraw/zinc/41/90/29/346419029.db2.gz IZIFYBPTGSVOQF-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046055660 346419058 /nfs/dbraw/zinc/41/90/58/346419058.db2.gz LTPSZUNWOITFOD-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000057148220 346620028 /nfs/dbraw/zinc/62/00/28/346620028.db2.gz ZXPJQWHVFCUUJI-FRRDWIJNSA-N 1 1 292.383 2.768 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000076776117 347152891 /nfs/dbraw/zinc/15/28/91/347152891.db2.gz KWXMJYASHFMTCB-GFCCVEGCSA-N 1 1 263.341 2.881 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076157967 347126936 /nfs/dbraw/zinc/12/69/36/347126936.db2.gz NQPZNGROZDOQDM-UHFFFAOYSA-N 1 1 290.363 2.640 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078667993 347269005 /nfs/dbraw/zinc/26/90/05/347269005.db2.gz OVROOMWAWHORFG-UHFFFAOYSA-N 1 1 289.339 2.695 20 5 CFBDMO COc1ccc(C[N@@H+]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000081515867 347423191 /nfs/dbraw/zinc/42/31/91/347423191.db2.gz RJIUPUFQYUFSSZ-UHFFFAOYSA-N 1 1 262.309 2.732 20 5 CFBDMO COc1ccc(C[N@H+]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000081515867 347423193 /nfs/dbraw/zinc/42/31/93/347423193.db2.gz RJIUPUFQYUFSSZ-UHFFFAOYSA-N 1 1 262.309 2.732 20 5 CFBDMO CCOc1cc(N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000092657448 347637772 /nfs/dbraw/zinc/63/77/72/347637772.db2.gz UOCQLUAPSJXDAN-ZDUSSCGKSA-N 1 1 293.367 2.524 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510253 347802460 /nfs/dbraw/zinc/80/24/60/347802460.db2.gz JRSFSULTTGCVIJ-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119510253 347802462 /nfs/dbraw/zinc/80/24/62/347802462.db2.gz JRSFSULTTGCVIJ-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO CCOc1cccc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914413 347902415 /nfs/dbraw/zinc/90/24/15/347902415.db2.gz YBMFREJABRWGCT-NSHDSACASA-N 1 1 291.351 2.642 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778235 348002647 /nfs/dbraw/zinc/00/26/47/348002647.db2.gz NLVZJEUETWZWOT-DOMZBBRYSA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778235 348002649 /nfs/dbraw/zinc/00/26/49/348002649.db2.gz NLVZJEUETWZWOT-DOMZBBRYSA-N 1 1 289.379 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000172409003 348092733 /nfs/dbraw/zinc/09/27/33/348092733.db2.gz WWAHPXTYBGJGJD-VIFPVBQESA-N 1 1 284.747 2.539 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000255127505 348302871 /nfs/dbraw/zinc/30/28/71/348302871.db2.gz IMURSSXPSDOOMI-IMMZDGJCSA-N 1 1 288.347 2.720 20 5 CFBDMO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000311603716 348414039 /nfs/dbraw/zinc/41/40/39/348414039.db2.gz OSKNNDVAZOLEQE-QMMMGPOBSA-N 1 1 284.747 2.538 20 5 CFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206570 348820085 /nfs/dbraw/zinc/82/00/85/348820085.db2.gz ZNNAXABEMLFJJJ-ABAIWWIYSA-N 1 1 295.358 2.506 20 5 CFBDMO CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505796 348836768 /nfs/dbraw/zinc/83/67/68/348836768.db2.gz OWVZMDQSCFDLJA-LLVKDONJSA-N 1 1 292.335 2.613 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3c[nH+]cn3C2)c(F)cc1[N+](=O)[O-] ZINC000589692672 348850865 /nfs/dbraw/zinc/85/08/65/348850865.db2.gz SVQBLJNYGQTHSC-SNVBAGLBSA-N 1 1 290.298 2.666 20 5 CFBDMO O=[N+]([O-])c1ccc([O-])cc1CN1CCC(C2CC2)CC1 ZINC000590052727 348871437 /nfs/dbraw/zinc/87/14/37/348871437.db2.gz IJUPLGBVERGXDZ-UHFFFAOYSA-N 1 1 276.336 2.922 20 5 CFBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590141892 348877836 /nfs/dbraw/zinc/87/78/36/348877836.db2.gz DMEDRWOAJWCSDC-ZDUSSCGKSA-N 1 1 281.381 2.578 20 5 CFBDMO CC1(C)CCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000590738457 348940303 /nfs/dbraw/zinc/94/03/03/348940303.db2.gz MDAKRAWVVHADAN-UHFFFAOYSA-N 1 1 269.370 2.943 20 5 CFBDMO CC[N@@H+](CCSC)CCc1ccc([N+](=O)[O-])cc1 ZINC000592202523 349099704 /nfs/dbraw/zinc/09/97/04/349099704.db2.gz ZOELVEIZKREOHF-UHFFFAOYSA-N 1 1 268.382 2.822 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000593015329 349187082 /nfs/dbraw/zinc/18/70/82/349187082.db2.gz SGOCVEFOTXQTQJ-PHIMTYICSA-N 1 1 292.335 2.754 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593116551 349213106 /nfs/dbraw/zinc/21/31/06/349213106.db2.gz MCKBIYWFWQRECR-CYBMUJFWSA-N 1 1 298.289 2.705 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593116553 349213604 /nfs/dbraw/zinc/21/36/04/349213604.db2.gz MCKBIYWFWQRECR-ZDUSSCGKSA-N 1 1 298.289 2.705 20 5 CFBDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593056214 349196332 /nfs/dbraw/zinc/19/63/32/349196332.db2.gz BGZGUMZVDSVSSM-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593056214 349196336 /nfs/dbraw/zinc/19/63/36/349196336.db2.gz BGZGUMZVDSVSSM-ZDUSSCGKSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593067371 349200386 /nfs/dbraw/zinc/20/03/86/349200386.db2.gz JLLPQPLIWZGBAH-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593069383 349201531 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CC1(C)CC[C@@H](CO)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598650052 350302168 /nfs/dbraw/zinc/30/21/68/350302168.db2.gz YCFYXEULOQLFMN-HNNXBMFYSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650171 350303248 /nfs/dbraw/zinc/30/32/48/350303248.db2.gz MZQYRLRAFXZMCM-FRRDWIJNSA-N 1 1 278.352 2.606 20 5 CFBDMO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000598998835 350357530 /nfs/dbraw/zinc/35/75/30/350357530.db2.gz INQFBWBRKVPUEY-CYBMUJFWSA-N 1 1 295.408 2.763 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)cs1 ZINC000598998835 350357531 /nfs/dbraw/zinc/35/75/31/350357531.db2.gz INQFBWBRKVPUEY-CYBMUJFWSA-N 1 1 295.408 2.763 20 5 CFBDMO Cc1cc(N2CC[NH+](CCCF)CC2)c(F)cc1[N+](=O)[O-] ZINC000599094882 350374942 /nfs/dbraw/zinc/37/49/42/350374942.db2.gz ZWSODGOFIREDIW-UHFFFAOYSA-N 1 1 299.321 2.524 20 5 CFBDMO CC1(C)CC(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000599353057 350421210 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CC[C@@H](O)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120041 350674044 /nfs/dbraw/zinc/67/40/44/350674044.db2.gz ZJBJEOSLXGLRAA-GFCCVEGCSA-N 1 1 289.335 2.528 20 5 CFBDMO CN(C[C@H]1CCCO1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601110478 350670971 /nfs/dbraw/zinc/67/09/71/350670971.db2.gz GVTSLTMIILVMEO-GFCCVEGCSA-N 1 1 287.319 2.758 20 5 CFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601124790 350675507 /nfs/dbraw/zinc/67/55/07/350675507.db2.gz SYULDPNQQAIKHT-LBPRGKRZSA-N 1 1 295.408 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCCOCC3)c2c1 ZINC000601138467 350679731 /nfs/dbraw/zinc/67/97/31/350679731.db2.gz UTZGRAYZWPIKCR-LLVKDONJSA-N 1 1 287.319 2.546 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601184122 350690955 /nfs/dbraw/zinc/69/09/55/350690955.db2.gz HOQMBHJBGXTOAP-UHFFFAOYSA-N 1 1 284.335 2.519 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]4C[C@H]4C3)c2c1 ZINC000601195819 350694349 /nfs/dbraw/zinc/69/43/49/350694349.db2.gz CMEMQJMUULFXOB-QWRGUYRKSA-N 1 1 269.304 2.989 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC4(C3)CCCO4)c2c1 ZINC000601202179 350696024 /nfs/dbraw/zinc/69/60/24/350696024.db2.gz ZFWQCZOVJUWKJW-UHFFFAOYSA-N 1 1 285.303 2.512 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111254794 186379523 /nfs/dbraw/zinc/37/95/23/186379523.db2.gz YCOBZIXLARGLKK-GFCCVEGCSA-N 1 1 293.367 2.536 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485005 350902010 /nfs/dbraw/zinc/90/20/10/350902010.db2.gz LZUQQIAAPYBTFA-DGCLKSJQSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC(CC)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602483796 350902515 /nfs/dbraw/zinc/90/25/15/350902515.db2.gz LUGCLVCURFHCJZ-UHFFFAOYSA-N 1 1 282.388 2.975 20 5 CFBDMO C[N@@H+](CCC[C@@H]1CCO1)Cc1ccccc1[N+](=O)[O-] ZINC000602440732 350883741 /nfs/dbraw/zinc/88/37/41/350883741.db2.gz SHISCTOUKPNHEZ-CYBMUJFWSA-N 1 1 264.325 2.596 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602454762 350889485 /nfs/dbraw/zinc/88/94/85/350889485.db2.gz UBQPYJIVAUJIQM-GFCCVEGCSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651629 350962096 /nfs/dbraw/zinc/96/20/96/350962096.db2.gz TZZMMDKTWROAIS-CQSZACIVSA-N 1 1 280.368 2.884 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602738645 351008982 /nfs/dbraw/zinc/00/89/82/351008982.db2.gz HEOHQHCXKXRHSS-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602738645 351008984 /nfs/dbraw/zinc/00/89/84/351008984.db2.gz HEOHQHCXKXRHSS-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC(C)(F)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602724806 351001475 /nfs/dbraw/zinc/00/14/75/351001475.db2.gz DAKFUMLONLCSMQ-UHFFFAOYSA-N 1 1 267.260 2.574 20 5 CFBDMO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602763235 351016903 /nfs/dbraw/zinc/01/69/03/351016903.db2.gz PCXMRJUIQIDQCX-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602763235 351016907 /nfs/dbraw/zinc/01/69/07/351016907.db2.gz PCXMRJUIQIDQCX-UHFFFAOYSA-N 1 1 288.351 2.739 20 5 CFBDMO CC[C@H](C)[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771247 351019373 /nfs/dbraw/zinc/01/93/73/351019373.db2.gz AUTBTXDSIDNZTP-NWDGAFQWSA-N 1 1 294.399 2.999 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000602770691 351019441 /nfs/dbraw/zinc/01/94/41/351019441.db2.gz XXCZWSNWVUPTMR-CYBMUJFWSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000602769167 351019445 /nfs/dbraw/zinc/01/94/45/351019445.db2.gz RSMXBKGQTMJLFP-CQSZACIVSA-N 1 1 292.383 2.754 20 5 CFBDMO C[C@H]1OCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796986 351029469 /nfs/dbraw/zinc/02/94/69/351029469.db2.gz LFXPEYNVNIIUPC-OLZOCXBDSA-N 1 1 290.363 2.984 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000602804811 351032753 /nfs/dbraw/zinc/03/27/53/351032753.db2.gz LNJBJTZHGMAUHD-DOMZBBRYSA-N 1 1 292.383 2.612 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000602812630 351035174 /nfs/dbraw/zinc/03/51/74/351035174.db2.gz ASBIRGAPVBVJJE-AAEUAGOBSA-N 1 1 280.372 2.610 20 5 CFBDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602818699 351036928 /nfs/dbraw/zinc/03/69/28/351036928.db2.gz NMFGRTGVUQXLGP-NSHDSACASA-N 1 1 280.372 2.729 20 5 CFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602843977 351043184 /nfs/dbraw/zinc/04/31/84/351043184.db2.gz MQDNFCXEHFUJIK-UHFFFAOYSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000602848034 351043756 /nfs/dbraw/zinc/04/37/56/351043756.db2.gz CTZKQAFANMBTMI-AWEZNQCLSA-N 1 1 292.383 2.754 20 5 CFBDMO Cc1c(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000602881377 351056043 /nfs/dbraw/zinc/05/60/43/351056043.db2.gz PYEJQRTWIBHDCO-OAHLLOKOSA-N 1 1 286.335 2.963 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000602881377 351056044 /nfs/dbraw/zinc/05/60/44/351056044.db2.gz PYEJQRTWIBHDCO-OAHLLOKOSA-N 1 1 286.335 2.963 20 5 CFBDMO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)COC1 ZINC000602740983 351010343 /nfs/dbraw/zinc/01/03/43/351010343.db2.gz TUDXLCGFRFVOLP-UHFFFAOYSA-N 1 1 288.303 2.733 20 5 CFBDMO CC1(F)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000602743155 351011819 /nfs/dbraw/zinc/01/18/19/351011819.db2.gz PPIQSWBZYYFZLI-UHFFFAOYSA-N 1 1 258.318 2.980 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602981400 351082607 /nfs/dbraw/zinc/08/26/07/351082607.db2.gz CKCKYOQLAUBBFJ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602981400 351082611 /nfs/dbraw/zinc/08/26/11/351082611.db2.gz CKCKYOQLAUBBFJ-CQSZACIVSA-N 1 1 298.770 2.985 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000609540557 351506147 /nfs/dbraw/zinc/50/61/47/351506147.db2.gz BIGYXGNFARCOAQ-LBPRGKRZSA-N 1 1 266.341 2.952 20 5 CFBDMO CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609560697 351506977 /nfs/dbraw/zinc/50/69/77/351506977.db2.gz UHBBRLXSVRBIHF-UHFFFAOYSA-N 1 1 283.397 2.967 20 5 CFBDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000610271328 351546086 /nfs/dbraw/zinc/54/60/86/351546086.db2.gz BUQNFBVNSGAPQO-UHFFFAOYSA-N 1 1 296.330 2.803 20 5 CFBDMO CC1CCC([N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000610447438 351567125 /nfs/dbraw/zinc/56/71/25/351567125.db2.gz MFEDBVLQBZTJPW-UHFFFAOYSA-N 1 1 292.383 2.834 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC000610476254 351568934 /nfs/dbraw/zinc/56/89/34/351568934.db2.gz QJELOVZJHRBFJR-NSHDSACASA-N 1 1 294.326 2.735 20 5 CFBDMO Cc1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000611083772 351639150 /nfs/dbraw/zinc/63/91/50/351639150.db2.gz LOHQJDMWCZIYCC-ZDUSSCGKSA-N 1 1 275.352 2.799 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179545 351648316 /nfs/dbraw/zinc/64/83/16/351648316.db2.gz DWVNDMSUKKWCHV-MRVPVSSYSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179545 351648319 /nfs/dbraw/zinc/64/83/19/351648319.db2.gz DWVNDMSUKKWCHV-MRVPVSSYSA-N 1 1 274.242 2.821 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C(F)F)C3)nc2c1 ZINC000611179819 351648856 /nfs/dbraw/zinc/64/88/56/351648856.db2.gz KROFFLSKSSJJIM-QMMMGPOBSA-N 1 1 297.261 2.823 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C(F)F)C3)nc2c1 ZINC000611179819 351648861 /nfs/dbraw/zinc/64/88/61/351648861.db2.gz KROFFLSKSSJJIM-QMMMGPOBSA-N 1 1 297.261 2.823 20 5 CFBDMO CC[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611271132 351661097 /nfs/dbraw/zinc/66/10/97/351661097.db2.gz JCQKSBFIIQNGPG-IZPAUZPXSA-N 1 1 289.379 2.634 20 5 CFBDMO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000611402673 351683416 /nfs/dbraw/zinc/68/34/16/351683416.db2.gz MDCMKZJFHBGMQK-UHFFFAOYSA-N 1 1 275.308 2.916 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000611516607 351702895 /nfs/dbraw/zinc/70/28/95/351702895.db2.gz JSAWMRCLEJQOKI-LLVKDONJSA-N 1 1 274.324 2.819 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000611516607 351702898 /nfs/dbraw/zinc/70/28/98/351702898.db2.gz JSAWMRCLEJQOKI-LLVKDONJSA-N 1 1 274.324 2.819 20 5 CFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611943526 351754192 /nfs/dbraw/zinc/75/41/92/351754192.db2.gz KRQVIYMCGHKGFY-ZDUSSCGKSA-N 1 1 282.315 2.735 20 5 CFBDMO COc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000611943587 351754522 /nfs/dbraw/zinc/75/45/22/351754522.db2.gz PRDZVMMLBQNAJR-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000122269545 187023458 /nfs/dbraw/zinc/02/34/58/187023458.db2.gz VIFGBPLMEJEFOF-NXEZZACHSA-N 1 1 279.315 2.771 20 5 CFBDMO Cc1c(C[N@@H+](C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000124310323 187131862 /nfs/dbraw/zinc/13/18/62/187131862.db2.gz HPDZUOHLRDMMCQ-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000617206899 352514055 /nfs/dbraw/zinc/51/40/55/352514055.db2.gz WIUCYSLDAGRONK-CYBMUJFWSA-N 1 1 294.351 2.604 20 5 CFBDMO CC(C)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618275942 352744600 /nfs/dbraw/zinc/74/46/00/352744600.db2.gz TXMAXNOTHIOYOS-UHFFFAOYSA-N 1 1 276.340 2.949 20 5 CFBDMO Cc1c(C[N@H+]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000618318372 352751917 /nfs/dbraw/zinc/75/19/17/352751917.db2.gz VJIMPJDULVKWLD-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292257078 198220500 /nfs/dbraw/zinc/22/05/00/198220500.db2.gz YFRPRVUXVXWYBG-OAHLLOKOSA-N 1 1 290.363 2.843 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000292291736 198232968 /nfs/dbraw/zinc/23/29/68/198232968.db2.gz CMHQLOUULXMGJS-NSHDSACASA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000292291736 198232969 /nfs/dbraw/zinc/23/29/69/198232969.db2.gz CMHQLOUULXMGJS-NSHDSACASA-N 1 1 250.298 2.588 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000152972385 188056599 /nfs/dbraw/zinc/05/65/99/188056599.db2.gz XYVVEISJVXCSEV-PHIMTYICSA-N 1 1 252.339 2.888 20 5 CFBDMO CC[C@H]1CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292345674 198253637 /nfs/dbraw/zinc/25/36/37/198253637.db2.gz HCSFXMFQRUVGNW-NSHDSACASA-N 1 1 250.298 2.588 20 5 CFBDMO CC[C@H]1CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292345674 198253639 /nfs/dbraw/zinc/25/36/39/198253639.db2.gz HCSFXMFQRUVGNW-NSHDSACASA-N 1 1 250.298 2.588 20 5 CFBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292358908 198258564 /nfs/dbraw/zinc/25/85/64/198258564.db2.gz CPSVHQZINSOLRI-UHFFFAOYSA-N 1 1 279.315 2.716 20 5 CFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000153824373 188106630 /nfs/dbraw/zinc/10/66/30/188106630.db2.gz FRVRECUYMROTBQ-HNNXBMFYSA-N 1 1 290.363 2.749 20 5 CFBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358240 198257939 /nfs/dbraw/zinc/25/79/39/198257939.db2.gz FQDLOXVZKKOANF-CABCVRRESA-N 1 1 292.379 2.995 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000153824489 188106435 /nfs/dbraw/zinc/10/64/35/188106435.db2.gz FRVRECUYMROTBQ-OAHLLOKOSA-N 1 1 290.363 2.749 20 5 CFBDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157818669 188340100 /nfs/dbraw/zinc/34/01/00/188340100.db2.gz LKGDVQSEZHRGAM-NSHDSACASA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1cccc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000158088723 188356176 /nfs/dbraw/zinc/35/61/76/188356176.db2.gz JJQVDJPQEYEWFA-UHFFFAOYSA-N 1 1 257.293 2.718 20 5 CFBDMO CC[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788828 188394700 /nfs/dbraw/zinc/39/47/00/188394700.db2.gz ZOCKIMLIAPOXGM-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO CC[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788828 188394701 /nfs/dbraw/zinc/39/47/01/188394701.db2.gz ZOCKIMLIAPOXGM-LBPRGKRZSA-N 1 1 265.357 2.506 20 5 CFBDMO C[N@@H+]1CC=C(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000271836356 191356691 /nfs/dbraw/zinc/35/66/91/191356691.db2.gz PPWUUAOEYIXQND-UHFFFAOYSA-N 1 1 283.278 2.547 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC2=CC[N@@H+](C)CC2)c1 ZINC000271815343 191344874 /nfs/dbraw/zinc/34/48/74/191344874.db2.gz MNSYMFKXQLLQKL-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO CC[N@H+]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272382267 191688271 /nfs/dbraw/zinc/68/82/71/191688271.db2.gz WDOHECVVXCTBBB-AWEZNQCLSA-N 1 1 291.395 2.992 20 5 CFBDMO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272763369 191905249 /nfs/dbraw/zinc/90/52/49/191905249.db2.gz GEIKVFKHZQJLND-VIFPVBQESA-N 1 1 296.758 2.706 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683207 199131706 /nfs/dbraw/zinc/13/17/06/199131706.db2.gz ABGZQWGXTIUTJV-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683207 199131708 /nfs/dbraw/zinc/13/17/08/199131708.db2.gz ABGZQWGXTIUTJV-NOZJJQNGSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)CO ZINC000294733376 199158258 /nfs/dbraw/zinc/15/82/58/199158258.db2.gz GNLWDHNMDIPOQS-UHFFFAOYSA-N 1 1 286.759 2.699 20 5 CFBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177423850 189050065 /nfs/dbraw/zinc/05/00/65/189050065.db2.gz WMZOCYKMPRBGOL-XHDPSFHLSA-N 1 1 292.335 2.541 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177909910 189078345 /nfs/dbraw/zinc/07/83/45/189078345.db2.gz TUKLRUZXSIWZEA-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO CSCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178002727 189084842 /nfs/dbraw/zinc/08/48/42/189084842.db2.gz RMLFKAOIHRLCNL-UHFFFAOYSA-N 1 1 266.366 2.922 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000182830211 189337048 /nfs/dbraw/zinc/33/70/48/189337048.db2.gz WABARBKVSPHUHX-GFCCVEGCSA-N 1 1 286.335 2.886 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000182830211 189337049 /nfs/dbraw/zinc/33/70/49/189337049.db2.gz WABARBKVSPHUHX-GFCCVEGCSA-N 1 1 286.335 2.886 20 5 CFBDMO Cc1nc(NCc2ccccc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000301702215 201148564 /nfs/dbraw/zinc/14/85/64/201148564.db2.gz UBZFFRPNBFIYOT-UHFFFAOYSA-N 1 1 272.308 2.922 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183329675 189355079 /nfs/dbraw/zinc/35/50/79/189355079.db2.gz HSTAMTLCXKWMOF-UHFFFAOYSA-N 1 1 291.395 2.677 20 5 CFBDMO COc1cc(C[N@@H+](C)CCC2CC2)c([N+](=O)[O-])cc1F ZINC000184268031 189381443 /nfs/dbraw/zinc/38/14/43/189381443.db2.gz SVOVFVWISGLTDM-UHFFFAOYSA-N 1 1 282.315 2.974 20 5 CFBDMO CC1=CC[N@@H+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000302141863 201361102 /nfs/dbraw/zinc/36/11/02/201361102.db2.gz HKFKBSXSMFOLST-UHFFFAOYSA-N 1 1 261.325 2.659 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000275826042 193139562 /nfs/dbraw/zinc/13/95/62/193139562.db2.gz KRWJTQZMYWPZFE-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000275826042 193139564 /nfs/dbraw/zinc/13/95/64/193139564.db2.gz KRWJTQZMYWPZFE-IINYFYTJSA-N 1 1 282.315 2.591 20 5 CFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446072135 241272966 /nfs/dbraw/zinc/27/29/66/241272966.db2.gz LNVFLFCYVDFQCH-CYZMBNFOSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446072135 241272971 /nfs/dbraw/zinc/27/29/71/241272971.db2.gz LNVFLFCYVDFQCH-CYZMBNFOSA-N 1 1 278.352 2.901 20 5 CFBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000449575752 242041546 /nfs/dbraw/zinc/04/15/46/242041546.db2.gz YRXWYSPMNADQNY-YPMHNXCESA-N 1 1 286.335 2.895 20 5 CFBDMO CCc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000449611781 242066625 /nfs/dbraw/zinc/06/66/25/242066625.db2.gz YMEGNDRCCMEVBD-UHFFFAOYSA-N 1 1 275.308 2.743 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449549746 242020606 /nfs/dbraw/zinc/02/06/06/242020606.db2.gz AFPKPKGCHQDKAY-UMVBOHGHSA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cs1 ZINC000449552884 242024265 /nfs/dbraw/zinc/02/42/65/242024265.db2.gz KGOQTCMFTKZVIP-AGIUHOORSA-N 1 1 296.392 2.639 20 5 CFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330709230 203140835 /nfs/dbraw/zinc/14/08/35/203140835.db2.gz OEJBJNHXYIHXGO-CABCVRRESA-N 1 1 292.379 2.824 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920653 203390073 /nfs/dbraw/zinc/39/00/73/203390073.db2.gz ZUJSQCKYIRPBSA-OCCSQVGLSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276278150 193268738 /nfs/dbraw/zinc/26/87/38/193268738.db2.gz DWZFQAHWWFZDQI-CYBMUJFWSA-N 1 1 292.379 2.763 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276472999 193345295 /nfs/dbraw/zinc/34/52/95/193345295.db2.gz QSYFQUMHSKWEAM-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO COc1ccc(OCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000276800104 193464161 /nfs/dbraw/zinc/46/41/61/193464161.db2.gz KDHWBBYACIQCKQ-UHFFFAOYSA-N 1 1 291.307 2.577 20 5 CFBDMO CCCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991635 372269537 /nfs/dbraw/zinc/26/95/37/372269537.db2.gz BJARCSTXAJXHRD-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648973 372684643 /nfs/dbraw/zinc/68/46/43/372684643.db2.gz WGFMZHYTQZWONB-STQMWFEESA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648973 372684651 /nfs/dbraw/zinc/68/46/51/372684651.db2.gz WGFMZHYTQZWONB-STQMWFEESA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649073 372685455 /nfs/dbraw/zinc/68/54/55/372685455.db2.gz RLMAZQJYXUPRKH-STQMWFEESA-N 1 1 289.379 2.730 20 5 CFBDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649073 372685457 /nfs/dbraw/zinc/68/54/57/372685457.db2.gz RLMAZQJYXUPRKH-STQMWFEESA-N 1 1 289.379 2.730 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C)s1 ZINC000040998199 372803077 /nfs/dbraw/zinc/80/30/77/372803077.db2.gz CEKVVIFKNAZVJF-UHFFFAOYSA-N 1 1 293.348 2.658 20 5 CFBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCCCC3)n2)cc1 ZINC000047406551 373092460 /nfs/dbraw/zinc/09/24/60/373092460.db2.gz FNKSCEYYQJWJIL-UHFFFAOYSA-N 1 1 288.307 2.631 20 5 CFBDMO CCCC[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049011277 373251010 /nfs/dbraw/zinc/25/10/10/373251010.db2.gz GJGDOHZXFPLKFP-UHFFFAOYSA-N 1 1 286.759 2.843 20 5 CFBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051554738 373396746 /nfs/dbraw/zinc/39/67/46/373396746.db2.gz WVXWXRRVCXPPKG-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051554738 373396755 /nfs/dbraw/zinc/39/67/55/373396755.db2.gz WVXWXRRVCXPPKG-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO C[N@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000064635459 373831797 /nfs/dbraw/zinc/83/17/97/373831797.db2.gz YIILCBTYVMRCDW-UHFFFAOYSA-N 1 1 262.231 2.979 20 5 CFBDMO C[N@@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000064635459 373831804 /nfs/dbraw/zinc/83/18/04/373831804.db2.gz YIILCBTYVMRCDW-UHFFFAOYSA-N 1 1 262.231 2.979 20 5 CFBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000070445063 374176124 /nfs/dbraw/zinc/17/61/24/374176124.db2.gz MKUVVVQTQMJFIT-GHMZBOCLSA-N 1 1 274.324 2.740 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076117828 374535248 /nfs/dbraw/zinc/53/52/48/374535248.db2.gz ZWYMPJAFUAEXQB-JTQLQIEISA-N 1 1 250.298 2.588 20 5 CFBDMO C[C@]1(F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000079035609 374586535 /nfs/dbraw/zinc/58/65/35/374586535.db2.gz ZBOBZABDXXURBI-ZDUSSCGKSA-N 1 1 252.289 2.919 20 5 CFBDMO C[C@]1(F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000079035609 374586538 /nfs/dbraw/zinc/58/65/38/374586538.db2.gz ZBOBZABDXXURBI-ZDUSSCGKSA-N 1 1 252.289 2.919 20 5 CFBDMO C[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000289483481 197370142 /nfs/dbraw/zinc/37/01/42/197370142.db2.gz BWXAVBKWLRRBSS-VIFPVBQESA-N 1 1 286.759 2.839 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000089981142 374980371 /nfs/dbraw/zinc/98/03/71/374980371.db2.gz YRVVMJIQFWYQKE-UHFFFAOYSA-N 1 1 252.339 2.534 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSCC2)c(F)c1 ZINC000089982560 374982096 /nfs/dbraw/zinc/98/20/96/374982096.db2.gz VXGQAMUCYNDYJZ-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSCC2)c(F)c1 ZINC000089982560 374982101 /nfs/dbraw/zinc/98/21/01/374982101.db2.gz VXGQAMUCYNDYJZ-UHFFFAOYSA-N 1 1 270.329 2.673 20 5 CFBDMO C[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795055 375029996 /nfs/dbraw/zinc/02/99/96/375029996.db2.gz HLNNMJNZIGMOHN-GXSJLCMTSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1noc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000092339581 375102324 /nfs/dbraw/zinc/10/23/24/375102324.db2.gz IBSPPDTUTGTGBJ-UHFFFAOYSA-N 1 1 275.308 2.798 20 5 CFBDMO COc1cc(C[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000093339862 375218134 /nfs/dbraw/zinc/21/81/34/375218134.db2.gz ADLCJOGZYXORBJ-UHFFFAOYSA-N 1 1 294.351 2.844 20 5 CFBDMO CC[N@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118826801 376317810 /nfs/dbraw/zinc/31/78/10/376317810.db2.gz PRVBHXIBYHDAFN-ZDUSSCGKSA-N 1 1 277.368 2.683 20 5 CFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000118419784 376294593 /nfs/dbraw/zinc/29/45/93/376294593.db2.gz ZYECARBVOACRHO-NEPJUHHUSA-N 1 1 296.392 2.799 20 5 CFBDMO COc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000118416260 376295516 /nfs/dbraw/zinc/29/55/16/376295516.db2.gz VVKMAGBASLSQKH-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000118416260 376295523 /nfs/dbraw/zinc/29/55/23/376295523.db2.gz VVKMAGBASLSQKH-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@H]1SCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118419806 376297542 /nfs/dbraw/zinc/29/75/42/376297542.db2.gz RWTPXOZBFRACBI-VXGBXAGGSA-N 1 1 296.392 2.799 20 5 CFBDMO C[C@@H](c1ccco1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000119162229 376364946 /nfs/dbraw/zinc/36/49/46/376364946.db2.gz MZIHBMCHRSEOCK-NSHDSACASA-N 1 1 290.323 2.610 20 5 CFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000120231285 376573422 /nfs/dbraw/zinc/57/34/22/376573422.db2.gz XWBIINPKUTZFBK-UHFFFAOYSA-N 1 1 292.314 2.765 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@@H]1O ZINC000120766235 376687863 /nfs/dbraw/zinc/68/78/63/376687863.db2.gz BRTCBZVQDQSGOC-KBPBESRZSA-N 1 1 298.770 2.984 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000124375372 377044572 /nfs/dbraw/zinc/04/45/72/377044572.db2.gz ZDPZNGVTUACHOC-XHSDSOJGSA-N 1 1 290.363 2.720 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC000126984836 377258625 /nfs/dbraw/zinc/25/86/25/377258625.db2.gz DQCORHGGHWHBRO-UHFFFAOYSA-N 1 1 257.293 2.588 20 5 CFBDMO C[N@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000130869650 377624026 /nfs/dbraw/zinc/62/40/26/377624026.db2.gz TYXKTKHICHDIFK-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[N@@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000130869650 377624033 /nfs/dbraw/zinc/62/40/33/377624033.db2.gz TYXKTKHICHDIFK-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000133015735 377895220 /nfs/dbraw/zinc/89/52/20/377895220.db2.gz DSUMQHPAZGAGOV-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000133015735 377895228 /nfs/dbraw/zinc/89/52/28/377895228.db2.gz DSUMQHPAZGAGOV-QMTHXVAHSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000148564867 378257451 /nfs/dbraw/zinc/25/74/51/378257451.db2.gz ADALXPRBADQAAS-PSASIEDQSA-N 1 1 284.747 2.538 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152918197 378459750 /nfs/dbraw/zinc/45/97/50/378459750.db2.gz FLULUTIBLLVLRF-ZBFHGGJFSA-N 1 1 290.363 2.904 20 5 CFBDMO CCCc1[nH+]ccn1Cc1csc([N+](=O)[O-])c1 ZINC000432228223 383730257 /nfs/dbraw/zinc/73/02/57/383730257.db2.gz FMFTUGPBOHTWDT-UHFFFAOYSA-N 1 1 251.311 2.854 20 5 CFBDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331022737 378616266 /nfs/dbraw/zinc/61/62/66/378616266.db2.gz ZKWSHSQVGQRCBG-LBPRGKRZSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281859 378663857 /nfs/dbraw/zinc/66/38/57/378663857.db2.gz ITLKHUCSXZOSKX-UEKVPHQBSA-N 1 1 296.342 2.715 20 5 CFBDMO CC(C)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332666514 378786841 /nfs/dbraw/zinc/78/68/41/378786841.db2.gz DCNCHSDZGSVKFR-UHFFFAOYSA-N 1 1 263.341 2.784 20 5 CFBDMO CC(C)CC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332716259 378794073 /nfs/dbraw/zinc/79/40/73/378794073.db2.gz QFOJDIJDGBSRFP-MRXNPFEDSA-N 1 1 292.379 2.750 20 5 CFBDMO C[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161871429 378877454 /nfs/dbraw/zinc/87/74/54/378877454.db2.gz YLEYMWKQCNHUIM-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161871429 378877462 /nfs/dbraw/zinc/87/74/62/378877462.db2.gz YLEYMWKQCNHUIM-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1c[nH]nc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289451977 197353919 /nfs/dbraw/zinc/35/39/19/197353919.db2.gz HCCQFSARXPLRJY-UHFFFAOYSA-N 1 1 294.742 2.612 20 5 CFBDMO COc1ccc(C[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000170872887 379180398 /nfs/dbraw/zinc/18/03/98/379180398.db2.gz XLYYTROXZFQDKN-UHFFFAOYSA-N 1 1 264.325 2.978 20 5 CFBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccnn1C ZINC000278841653 194179328 /nfs/dbraw/zinc/17/93/28/194179328.db2.gz UVAZNRVIOQBWDX-SECBINFHSA-N 1 1 294.742 2.833 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888147 194196876 /nfs/dbraw/zinc/19/68/76/194196876.db2.gz YKDGFCAOSWSNDR-MLGOLLRUSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171949374 379447252 /nfs/dbraw/zinc/44/72/52/379447252.db2.gz IUMPPIJZUSZIGG-NEPJUHHUSA-N 1 1 293.367 2.900 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178585 379511344 /nfs/dbraw/zinc/51/13/44/379511344.db2.gz KERZXYKNOPTXTH-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178585 379511351 /nfs/dbraw/zinc/51/13/51/379511351.db2.gz KERZXYKNOPTXTH-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CCSCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172748948 379640427 /nfs/dbraw/zinc/64/04/27/379640427.db2.gz OTUUFYSUNHTBNL-UHFFFAOYSA-N 1 1 254.355 2.780 20 5 CFBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344808 379728423 /nfs/dbraw/zinc/72/84/23/379728423.db2.gz WVVHFFAWHJYIIX-UONOGXRCSA-N 1 1 291.395 2.977 20 5 CFBDMO CCOCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175216198 380022053 /nfs/dbraw/zinc/02/20/53/380022053.db2.gz WQTJGKCHNOHPOY-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175216198 380022058 /nfs/dbraw/zinc/02/20/58/380022058.db2.gz WQTJGKCHNOHPOY-UHFFFAOYSA-N 1 1 296.367 2.852 20 5 CFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000176195071 380192287 /nfs/dbraw/zinc/19/22/87/380192287.db2.gz FKKOXCZWAWARAU-NSHDSACASA-N 1 1 292.364 2.690 20 5 CFBDMO C[N@@H+](CCC1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000176225190 380197596 /nfs/dbraw/zinc/19/75/96/380197596.db2.gz KYWWSXRAWYPZJU-UHFFFAOYSA-N 1 1 280.372 2.694 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177873734 380389346 /nfs/dbraw/zinc/38/93/46/380389346.db2.gz HNYMPWZFXUWWIZ-VXGBXAGGSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177908249 380392796 /nfs/dbraw/zinc/39/27/96/380392796.db2.gz QSTVUNCGAJUJCI-VXGBXAGGSA-N 1 1 264.325 2.704 20 5 CFBDMO C[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182164399 381008256 /nfs/dbraw/zinc/00/82/56/381008256.db2.gz FZLYGVFTTCTIRJ-SNVBAGLBSA-N 1 1 298.770 2.841 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)O ZINC000347356180 381094542 /nfs/dbraw/zinc/09/45/42/381094542.db2.gz LCEGIIMXSLCALB-WQLSENKSSA-N 1 1 278.352 2.701 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368667513 381105185 /nfs/dbraw/zinc/10/51/85/381105185.db2.gz SBJAQSMTMMMGAE-MRXNPFEDSA-N 1 1 292.379 2.744 20 5 CFBDMO CC[N@@H+](CCOC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000347330212 381076177 /nfs/dbraw/zinc/07/61/77/381076177.db2.gz FJZQOJBXUAQTNO-LBPRGKRZSA-N 1 1 266.341 2.933 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102441 381161338 /nfs/dbraw/zinc/16/13/38/381161338.db2.gz ZUIKBTPNYYASKX-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102441 381161348 /nfs/dbraw/zinc/16/13/48/381161348.db2.gz ZUIKBTPNYYASKX-MNOVXSKESA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000295968163 381188478 /nfs/dbraw/zinc/18/84/78/381188478.db2.gz IHZWJZGPLOEYGY-CYBMUJFWSA-N 1 1 289.379 2.511 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000343950585 220278615 /nfs/dbraw/zinc/27/86/15/220278615.db2.gz BESOHEWXIVOCJS-ZDUSSCGKSA-N 1 1 292.383 2.893 20 5 CFBDMO Cc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1F ZINC000342227440 381224980 /nfs/dbraw/zinc/22/49/80/381224980.db2.gz HLJQRBNMZAVMIB-JTQLQIEISA-N 1 1 292.314 2.627 20 5 CFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000183181263 381229835 /nfs/dbraw/zinc/22/98/35/381229835.db2.gz VBXRRTJXZKRHND-LBPRGKRZSA-N 1 1 294.351 2.677 20 5 CFBDMO Cc1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000289952828 381231173 /nfs/dbraw/zinc/23/11/73/381231173.db2.gz XRSFYLVDADCXIP-CYBMUJFWSA-N 1 1 279.384 2.722 20 5 CFBDMO Cc1ccc(C[NH2+][C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000289952828 381231179 /nfs/dbraw/zinc/23/11/79/381231179.db2.gz XRSFYLVDADCXIP-CYBMUJFWSA-N 1 1 279.384 2.722 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2cn[nH]c2)C2CC2)cc1 ZINC000347766992 381340076 /nfs/dbraw/zinc/34/00/76/381340076.db2.gz FIEGSKXLPZFIQP-UHFFFAOYSA-N 1 1 286.335 2.525 20 5 CFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000342413349 381317383 /nfs/dbraw/zinc/31/73/83/381317383.db2.gz ZQPGEKFXJBXQPX-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO C[C@@H](O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000354866631 381495435 /nfs/dbraw/zinc/49/54/35/381495435.db2.gz SFRWFEUTYOJNMC-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO COC[C@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296658844 381495922 /nfs/dbraw/zinc/49/59/22/381495922.db2.gz JTBLHTQHUFKYLQ-OAHLLOKOSA-N 1 1 278.352 2.762 20 5 CFBDMO Cn1c2ccccc2[nH+]c1NCCc1cccc([N+](=O)[O-])c1 ZINC000342771758 381529226 /nfs/dbraw/zinc/52/92/26/381529226.db2.gz AFGULTFUCYMARW-UHFFFAOYSA-N 1 1 296.330 2.558 20 5 CFBDMO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@@H+]2CC=CCC2)c1 ZINC000296765097 381533220 /nfs/dbraw/zinc/53/32/20/381533220.db2.gz MASUHTIWSQAMPS-UHFFFAOYSA-N 1 1 298.346 2.817 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000371282651 381582593 /nfs/dbraw/zinc/58/25/93/381582593.db2.gz ZOWIZYLAZQOJLU-MRVPVSSYSA-N 1 1 292.726 2.941 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000371282651 381582594 /nfs/dbraw/zinc/58/25/94/381582594.db2.gz ZOWIZYLAZQOJLU-MRVPVSSYSA-N 1 1 292.726 2.941 20 5 CFBDMO C[C@@H]1[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000342828050 381571753 /nfs/dbraw/zinc/57/17/53/381571753.db2.gz AQDBRSOFHLATJS-KOLCDFICSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289134165 197243224 /nfs/dbraw/zinc/24/32/24/197243224.db2.gz YASWFVQGXONHPX-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289134165 197243225 /nfs/dbraw/zinc/24/32/25/197243225.db2.gz YASWFVQGXONHPX-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000348545182 381624884 /nfs/dbraw/zinc/62/48/84/381624884.db2.gz SRSRZXNWMQMKIT-HNNXBMFYSA-N 1 1 295.358 2.506 20 5 CFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000291012941 381631251 /nfs/dbraw/zinc/63/12/51/381631251.db2.gz BHKKLOVBIQKJRU-LBPRGKRZSA-N 1 1 266.341 2.760 20 5 CFBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291069279 381656001 /nfs/dbraw/zinc/65/60/01/381656001.db2.gz LHUZMKLNUFPUDO-LBPRGKRZSA-N 1 1 266.341 2.760 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C)C1 ZINC000348669678 381660871 /nfs/dbraw/zinc/66/08/71/381660871.db2.gz HGBZRBDIQCFABJ-FSBNRTBOSA-N 1 1 276.336 2.719 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C)C1 ZINC000348669678 381660878 /nfs/dbraw/zinc/66/08/78/381660878.db2.gz HGBZRBDIQCFABJ-FSBNRTBOSA-N 1 1 276.336 2.719 20 5 CFBDMO CC1(C)C[NH2+]CC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414968425 381665575 /nfs/dbraw/zinc/66/55/75/381665575.db2.gz IBBKUWWFAACTIC-ZKKXHLJNSA-N 1 1 289.379 2.586 20 5 CFBDMO CC1(C)C[NH2+]CC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414968427 381665860 /nfs/dbraw/zinc/66/58/60/381665860.db2.gz IBBKUWWFAACTIC-ZQMJAJRESA-N 1 1 289.379 2.586 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355193807 381667942 /nfs/dbraw/zinc/66/79/42/381667942.db2.gz FIQMGLSOIOLJMF-BBRMVZONSA-N 1 1 292.379 2.921 20 5 CFBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343442691 381712817 /nfs/dbraw/zinc/71/28/17/381712817.db2.gz MILMKJBLWLOLLP-KWQFWETISA-N 1 1 284.747 2.538 20 5 CFBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000348712070 381679865 /nfs/dbraw/zinc/67/98/65/381679865.db2.gz HIKUVLWMIOXEGE-FSBNRTBOSA-N 1 1 278.352 2.701 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348713172 381681664 /nfs/dbraw/zinc/68/16/64/381681664.db2.gz VTFPQAYGFCUTNN-HJHHMULASA-N 1 1 276.336 2.719 20 5 CFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655779 381695662 /nfs/dbraw/zinc/69/56/62/381695662.db2.gz KSPVCEZJGKSWRQ-DFBGVHRSSA-N 1 1 278.352 2.749 20 5 CFBDMO COc1cccc(NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000355312162 381744585 /nfs/dbraw/zinc/74/45/85/381744585.db2.gz JJPSQWIJEDSJGI-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO CCc1ccccc1[C@H](N)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000415062714 381748671 /nfs/dbraw/zinc/74/86/71/381748671.db2.gz FVVGARJXESJOQA-MRXNPFEDSA-N 1 1 299.374 2.947 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[NH2+]C1 ZINC000415069136 381754873 /nfs/dbraw/zinc/75/48/73/381754873.db2.gz GDHHYVQTWFGPJL-DZGCQCFKSA-N 1 1 291.395 2.648 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1 ZINC000415069136 381754878 /nfs/dbraw/zinc/75/48/78/381754878.db2.gz GDHHYVQTWFGPJL-DZGCQCFKSA-N 1 1 291.395 2.648 20 5 CFBDMO CC(C)C[N@H+](CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000348902695 381761123 /nfs/dbraw/zinc/76/11/23/381761123.db2.gz DEOPYXDGIAPNLA-UHFFFAOYSA-N 1 1 279.384 2.614 20 5 CFBDMO CC(C)C[N@@H+](CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000348902695 381761131 /nfs/dbraw/zinc/76/11/31/381761131.db2.gz DEOPYXDGIAPNLA-UHFFFAOYSA-N 1 1 279.384 2.614 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000372148507 381763106 /nfs/dbraw/zinc/76/31/06/381763106.db2.gz GTAPIVBJSOOIOG-NUEKZKHPSA-N 1 1 290.363 2.893 20 5 CFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210497 381849890 /nfs/dbraw/zinc/84/98/90/381849890.db2.gz FHNDVKFLCSDKPN-NXEZZACHSA-N 1 1 283.759 2.777 20 5 CFBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343633050 381856101 /nfs/dbraw/zinc/85/61/01/381856101.db2.gz ZCCUEWYDEDCAOI-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000349238646 381858600 /nfs/dbraw/zinc/85/86/00/381858600.db2.gz DAKNQIVWWJXDAX-SNVBAGLBSA-N 1 1 292.726 2.872 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362087952 381903412 /nfs/dbraw/zinc/90/34/12/381903412.db2.gz CUIVMXHOIBGEGM-RWMBFGLXSA-N 1 1 278.352 2.524 20 5 CFBDMO CCC[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000299393888 381921022 /nfs/dbraw/zinc/92/10/22/381921022.db2.gz SKKOKWVMEKSIOW-UHFFFAOYSA-N 1 1 290.323 2.877 20 5 CFBDMO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186515630 381934389 /nfs/dbraw/zinc/93/43/89/381934389.db2.gz NWMAZZUEQMUZOW-FZMZJTMJSA-N 1 1 290.319 2.962 20 5 CFBDMO CC[N@@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973511 382043190 /nfs/dbraw/zinc/04/31/90/382043190.db2.gz HLPXQTYRJZOKCV-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO CCN(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973511 382043196 /nfs/dbraw/zinc/04/31/96/382043196.db2.gz HLPXQTYRJZOKCV-ZDUSSCGKSA-N 1 1 279.384 2.976 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186959119 382057647 /nfs/dbraw/zinc/05/76/47/382057647.db2.gz YSHGLNAWHNSIGT-AWEZNQCLSA-N 1 1 276.336 2.504 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186959097 382057993 /nfs/dbraw/zinc/05/79/93/382057993.db2.gz YSHGLNAWHNSIGT-CQSZACIVSA-N 1 1 276.336 2.504 20 5 CFBDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177298 382019705 /nfs/dbraw/zinc/01/97/05/382019705.db2.gz VRYQLDQARZQVPC-CQSZACIVSA-N 1 1 298.408 2.887 20 5 CFBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177298 382019710 /nfs/dbraw/zinc/01/97/10/382019710.db2.gz VRYQLDQARZQVPC-CQSZACIVSA-N 1 1 298.408 2.887 20 5 CFBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000343930209 382026952 /nfs/dbraw/zinc/02/69/52/382026952.db2.gz RQADKDWYDFETMM-JTQLQIEISA-N 1 1 298.774 2.930 20 5 CFBDMO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301062162 382070749 /nfs/dbraw/zinc/07/07/49/382070749.db2.gz SXYNUCLEEHHEIZ-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000351926897 382072254 /nfs/dbraw/zinc/07/22/54/382072254.db2.gz MHZPXVABRSKQLC-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362446835 382073523 /nfs/dbraw/zinc/07/35/23/382073523.db2.gz AWSUTUWOQHSUGV-GOEBONIOSA-N 1 1 290.363 2.904 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344024096 382074450 /nfs/dbraw/zinc/07/44/50/382074450.db2.gz VJHZKFRCQZNITO-LLVKDONJSA-N 1 1 264.300 2.966 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301092670 382079003 /nfs/dbraw/zinc/07/90/03/382079003.db2.gz LLECQOXWURFSDJ-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO CC[N@@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)C ZINC000357259186 382080434 /nfs/dbraw/zinc/08/04/34/382080434.db2.gz GGHBMXWUICTZEE-UHFFFAOYSA-N 1 1 292.383 2.705 20 5 CFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000301134956 382088976 /nfs/dbraw/zinc/08/89/76/382088976.db2.gz YKISGLPRTPSYLU-JTQLQIEISA-N 1 1 290.298 2.666 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293466153 382132881 /nfs/dbraw/zinc/13/28/81/382132881.db2.gz QODSMLWZRNTKEB-WCQGTBRESA-N 1 1 291.351 2.570 20 5 CFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293466153 382132887 /nfs/dbraw/zinc/13/28/87/382132887.db2.gz QODSMLWZRNTKEB-WCQGTBRESA-N 1 1 291.351 2.570 20 5 CFBDMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000187564699 382212188 /nfs/dbraw/zinc/21/21/88/382212188.db2.gz LFYIQCHPBUUDQE-AWEZNQCLSA-N 1 1 291.395 2.949 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000357561345 382226452 /nfs/dbraw/zinc/22/64/52/382226452.db2.gz CFTLPRYEIXIUQN-LBPRGKRZSA-N 1 1 280.372 2.747 20 5 CFBDMO CC(C)[C@H]1C[N@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301762767 382191176 /nfs/dbraw/zinc/19/11/76/382191176.db2.gz CDINHQFFNOSZBI-CYBMUJFWSA-N 1 1 299.321 2.649 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301762767 382191182 /nfs/dbraw/zinc/19/11/82/382191182.db2.gz CDINHQFFNOSZBI-CYBMUJFWSA-N 1 1 299.321 2.649 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293789439 382279681 /nfs/dbraw/zinc/27/96/81/382279681.db2.gz CJPUAWZFRLGKLS-OAHLLOKOSA-N 1 1 290.363 2.783 20 5 CFBDMO C[N@@H+](CCOCC1CCC1)CCc1ccccc1[N+](=O)[O-] ZINC000419270564 382264517 /nfs/dbraw/zinc/26/45/17/382264517.db2.gz QWNVLIWQRNGHFB-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000364122993 382267474 /nfs/dbraw/zinc/26/74/74/382267474.db2.gz DFZSNRAPXGKHKV-CYBMUJFWSA-N 1 1 278.352 2.843 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CC2CCCC2)C1 ZINC000364251550 382291738 /nfs/dbraw/zinc/29/17/38/382291738.db2.gz KJSUBCFNNTZSJY-CYBMUJFWSA-N 1 1 292.383 2.731 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000364327202 382307137 /nfs/dbraw/zinc/30/71/37/382307137.db2.gz IWOYKQTYPNQHRK-LBPRGKRZSA-N 1 1 290.323 2.530 20 5 CFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975560 382313074 /nfs/dbraw/zinc/31/30/74/382313074.db2.gz CDDFJQVFYHWNGE-IUODEOHRSA-N 1 1 278.352 2.578 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352425042 382325282 /nfs/dbraw/zinc/32/52/82/382325282.db2.gz JJQGYIKRYPVPTG-UHFFFAOYSA-N 1 1 296.367 2.588 20 5 CFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419370040 382300382 /nfs/dbraw/zinc/30/03/82/382300382.db2.gz IYNKCLJZFQJMMZ-GRYCIOLGSA-N 1 1 291.351 2.510 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092512 382375006 /nfs/dbraw/zinc/37/50/06/382375006.db2.gz CKXBJTMUZNXMOM-NWDGAFQWSA-N 1 1 284.381 2.782 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092512 382375012 /nfs/dbraw/zinc/37/50/12/382375012.db2.gz CKXBJTMUZNXMOM-NWDGAFQWSA-N 1 1 284.381 2.782 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365342902 382379595 /nfs/dbraw/zinc/37/95/95/382379595.db2.gz JJUJUYWNEKEXKJ-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365342902 382379599 /nfs/dbraw/zinc/37/95/99/382379599.db2.gz JJUJUYWNEKEXKJ-CQSZACIVSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC3(C2)CCCCCC3)c1 ZINC000378020826 382386329 /nfs/dbraw/zinc/38/63/29/382386329.db2.gz WDWYNLLWOSUYBF-UHFFFAOYSA-N 1 1 292.383 2.838 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352545815 382389947 /nfs/dbraw/zinc/38/99/47/382389947.db2.gz MADUMYKOWQFAMW-WDEREUQCSA-N 1 1 264.325 2.834 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@@H]1O ZINC000352669338 382444152 /nfs/dbraw/zinc/44/41/52/382444152.db2.gz YYOLDDNPRCNIGY-OLZOCXBDSA-N 1 1 284.743 2.593 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352608817 382413827 /nfs/dbraw/zinc/41/38/27/382413827.db2.gz OUURYFBJSOULQF-DGCLKSJQSA-N 1 1 294.326 2.592 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000312284254 382514475 /nfs/dbraw/zinc/51/44/75/382514475.db2.gz SOIRSPOKHUDUIU-NSHDSACASA-N 1 1 281.331 2.876 20 5 CFBDMO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000353392731 382540943 /nfs/dbraw/zinc/54/09/43/382540943.db2.gz HKBWEBZKQYDBGH-WOLRVDTOSA-N 1 1 278.352 2.699 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000353751861 382625792 /nfs/dbraw/zinc/62/57/92/382625792.db2.gz ZEFOBXJOVJPYAD-BBRMVZONSA-N 1 1 291.395 2.899 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1CC(O)C1 ZINC000190147648 382654715 /nfs/dbraw/zinc/65/47/15/382654715.db2.gz JDWTUYZNQJQPGD-LKSINWNRSA-N 1 1 278.352 2.667 20 5 CFBDMO C[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000230348762 382859664 /nfs/dbraw/zinc/85/96/64/382859664.db2.gz FZQPVSBZNUWZES-AWEZNQCLSA-N 1 1 298.770 2.985 20 5 CFBDMO Cc1[nH+]ccn1CCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000337794942 382865709 /nfs/dbraw/zinc/86/57/09/382865709.db2.gz CQYNBKRDZOXZTM-UHFFFAOYSA-N 1 1 289.339 2.614 20 5 CFBDMO COc1cccc(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000337830077 382869739 /nfs/dbraw/zinc/86/97/39/382869739.db2.gz VKPKEOKYMRGPQA-UHFFFAOYSA-N 1 1 290.323 2.611 20 5 CFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578623110 382937921 /nfs/dbraw/zinc/93/79/21/382937921.db2.gz MYWQHVFFGVSIBH-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578623110 382937925 /nfs/dbraw/zinc/93/79/25/382937925.db2.gz MYWQHVFFGVSIBH-CYBMUJFWSA-N 1 1 282.315 2.733 20 5 CFBDMO C[C@H](C1CCCCC1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000338366344 383006900 /nfs/dbraw/zinc/00/69/00/383006900.db2.gz IOABQLRKRXIBFJ-GFCCVEGCSA-N 1 1 280.372 2.692 20 5 CFBDMO Cc1cnc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447808330 383010225 /nfs/dbraw/zinc/01/02/25/383010225.db2.gz WIPLEBMEPUZAPK-CYBMUJFWSA-N 1 1 292.383 2.831 20 5 CFBDMO CCn1ccnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376648 383010927 /nfs/dbraw/zinc/01/09/27/383010927.db2.gz YZAONLINGANWLQ-ZDUSSCGKSA-N 1 1 286.335 2.588 20 5 CFBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192413 382969136 /nfs/dbraw/zinc/96/91/36/382969136.db2.gz LCFNASPQJQZEJF-IUODEOHRSA-N 1 1 278.352 2.811 20 5 CFBDMO CC[C@]1(O)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198285 382970562 /nfs/dbraw/zinc/97/05/62/382970562.db2.gz ALQMEQRHCGHJSB-RISCZKNCSA-N 1 1 264.325 2.503 20 5 CFBDMO Cc1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000338709040 383029485 /nfs/dbraw/zinc/02/94/85/383029485.db2.gz BDWMHBIYNGDBTK-UHFFFAOYSA-N 1 1 261.325 2.577 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@@H+]1CC=CCC1 ZINC000338711293 383029937 /nfs/dbraw/zinc/02/99/37/383029937.db2.gz JGADBZDUECHNFV-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO CC1(C)C[C@H]([NH2+][C@@H](CN)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265455 383053774 /nfs/dbraw/zinc/05/37/74/383053774.db2.gz AVJQKMCHSOGDRX-GJZGRUSLSA-N 1 1 289.379 2.644 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000448362734 383057531 /nfs/dbraw/zinc/05/75/31/383057531.db2.gz OWFPCQRJOLADDU-XCHKQJEOSA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cs1 ZINC000579924739 383065827 /nfs/dbraw/zinc/06/58/27/383065827.db2.gz QZWZBDIMAQBCKL-NSHDSACASA-N 1 1 282.365 2.536 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cs1 ZINC000579924739 383065835 /nfs/dbraw/zinc/06/58/35/383065835.db2.gz QZWZBDIMAQBCKL-NSHDSACASA-N 1 1 282.365 2.536 20 5 CFBDMO CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423383799 383075893 /nfs/dbraw/zinc/07/58/93/383075893.db2.gz FGXPXNWZWQEKJR-CQDKDKBSSA-N 1 1 277.368 2.634 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000246922324 383121497 /nfs/dbraw/zinc/12/14/97/383121497.db2.gz GMXLUFPWXZPNNM-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO C[C@H]1CC[N@@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002256 383121793 /nfs/dbraw/zinc/12/17/93/383121793.db2.gz YFYKVWQFKZWBSH-YVZNUBBCSA-N 1 1 289.379 2.539 20 5 CFBDMO C[C@H]1CCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002256 383121795 /nfs/dbraw/zinc/12/17/95/383121795.db2.gz YFYKVWQFKZWBSH-YVZNUBBCSA-N 1 1 289.379 2.539 20 5 CFBDMO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423398898 383081994 /nfs/dbraw/zinc/08/19/94/383081994.db2.gz PEAJBEYLERJWTR-VHRBIJSZSA-N 1 1 277.368 2.552 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(F)CC1 ZINC000584556864 383112456 /nfs/dbraw/zinc/11/24/56/383112456.db2.gz YBZSHYNREWBCDY-UHFFFAOYSA-N 1 1 252.289 2.571 20 5 CFBDMO Cc1noc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449276182 383195776 /nfs/dbraw/zinc/19/57/76/383195776.db2.gz BGSVGKMVVQBXAV-UWVGGRQHSA-N 1 1 290.323 2.568 20 5 CFBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157128 383148278 /nfs/dbraw/zinc/14/82/78/383148278.db2.gz UAJUJUSFPDRRTM-ZIAGYGMSSA-N 1 1 291.395 2.977 20 5 CFBDMO Cc1cnc(OC[C@@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000339115293 383154585 /nfs/dbraw/zinc/15/45/85/383154585.db2.gz NPGMRJQKQGEEMG-ZDUSSCGKSA-N 1 1 293.367 2.940 20 5 CFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CN(C)C ZINC000449064903 383157594 /nfs/dbraw/zinc/15/75/94/383157594.db2.gz WWOBZLJMBDSIDR-CYBMUJFWSA-N 1 1 293.411 2.703 20 5 CFBDMO COc1cc(C[NH2+][C@H]2CCC[C@H]2F)c([N+](=O)[O-])cc1OC ZINC000339587716 383255848 /nfs/dbraw/zinc/25/58/48/383255848.db2.gz SDSNHNVQPQDRTF-MNOVXSKESA-N 1 1 298.314 2.592 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248629749 383274486 /nfs/dbraw/zinc/27/44/86/383274486.db2.gz OUGLIDLDEJXZGM-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000449415808 383276561 /nfs/dbraw/zinc/27/65/61/383276561.db2.gz QAUPDQIFRGYUAW-VURMDHGXSA-N 1 1 278.352 2.558 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000249226149 383334678 /nfs/dbraw/zinc/33/46/78/383334678.db2.gz UXKFPZITMQILRS-DOMZBBRYSA-N 1 1 278.352 2.760 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000567994901 383342984 /nfs/dbraw/zinc/34/29/84/383342984.db2.gz XUYXITOYSQJFEZ-HOCLYGCPSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000466819793 383345411 /nfs/dbraw/zinc/34/54/11/383345411.db2.gz RZOOOPFZWODAOC-RISCZKNCSA-N 1 1 275.352 2.798 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449489746 383326906 /nfs/dbraw/zinc/32/69/06/383326906.db2.gz AWKAIBYDCQHMPB-WFASDCNBSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649368 383423578 /nfs/dbraw/zinc/42/35/78/383423578.db2.gz WWAYETPSKNTSPB-QEJZJMRPSA-N 1 1 289.379 2.872 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccno3)C2)cc1 ZINC000569195841 383475792 /nfs/dbraw/zinc/47/57/92/383475792.db2.gz WRRNZGMFAVXGBG-ZDUSSCGKSA-N 1 1 287.319 2.962 20 5 CFBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000569826092 383541564 /nfs/dbraw/zinc/54/15/64/383541564.db2.gz WVIQOAHIGAEDIN-ABAIWWIYSA-N 1 1 289.379 2.654 20 5 CFBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000569826092 383541571 /nfs/dbraw/zinc/54/15/71/383541571.db2.gz WVIQOAHIGAEDIN-ABAIWWIYSA-N 1 1 289.379 2.654 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451321562 383589615 /nfs/dbraw/zinc/58/96/15/383589615.db2.gz CSBAFPSSQFTONJ-NSHDSACASA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1C ZINC000430220980 383591095 /nfs/dbraw/zinc/59/10/95/383591095.db2.gz RFOPIPGKZVOGDT-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1C ZINC000430220980 383591098 /nfs/dbraw/zinc/59/10/98/383591098.db2.gz RFOPIPGKZVOGDT-SNVBAGLBSA-N 1 1 282.365 2.541 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CF)CC1 ZINC000451389010 383606052 /nfs/dbraw/zinc/60/60/52/383606052.db2.gz OPRDVDSPGAFWBJ-UHFFFAOYSA-N 1 1 270.279 2.915 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000450948184 383563145 /nfs/dbraw/zinc/56/31/45/383563145.db2.gz DZDOCOAFTJXNSG-LBPRGKRZSA-N 1 1 263.341 2.514 20 5 CFBDMO CO[C@H](C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546742 383641277 /nfs/dbraw/zinc/64/12/77/383641277.db2.gz JOSWFVZGXIPODB-TZMCWYRMSA-N 1 1 278.352 2.809 20 5 CFBDMO CC1(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)COC1 ZINC000451548084 383642522 /nfs/dbraw/zinc/64/25/22/383642522.db2.gz MMWIZZLMCMUFHV-AWEZNQCLSA-N 1 1 290.363 2.811 20 5 CFBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000490084125 383652290 /nfs/dbraw/zinc/65/22/90/383652290.db2.gz HSHZMMRENUTUPR-MNOVXSKESA-N 1 1 264.325 2.834 20 5 CFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000489475076 383622832 /nfs/dbraw/zinc/62/28/32/383622832.db2.gz LRFAACHBCSGFPE-GFCCVEGCSA-N 1 1 274.324 2.701 20 5 CFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000489475076 383622834 /nfs/dbraw/zinc/62/28/34/383622834.db2.gz LRFAACHBCSGFPE-GFCCVEGCSA-N 1 1 274.324 2.701 20 5 CFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059017 383824454 /nfs/dbraw/zinc/82/44/54/383824454.db2.gz RZOGMXVYODOCRG-LSDHHAIUSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532239411 384000174 /nfs/dbraw/zinc/00/01/74/384000174.db2.gz LJZJMSFHXUSAJS-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532239411 384000179 /nfs/dbraw/zinc/00/01/79/384000179.db2.gz LJZJMSFHXUSAJS-TZMCWYRMSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000532587792 384047191 /nfs/dbraw/zinc/04/71/91/384047191.db2.gz WTCALKTUOPNDEX-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000532587792 384047199 /nfs/dbraw/zinc/04/71/99/384047199.db2.gz WTCALKTUOPNDEX-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000532577127 384048464 /nfs/dbraw/zinc/04/84/64/384048464.db2.gz CXZIUTSLALPHQD-PWSUYJOCSA-N 1 1 291.351 2.572 20 5 CFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000266024908 384056828 /nfs/dbraw/zinc/05/68/28/384056828.db2.gz QBKAOVMYRRAWMH-UHFFFAOYSA-N 1 1 266.341 2.578 20 5 CFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000266043729 384061772 /nfs/dbraw/zinc/06/17/72/384061772.db2.gz UOHOXIIHCLKMES-LLVKDONJSA-N 1 1 281.331 2.512 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574464864 384100116 /nfs/dbraw/zinc/10/01/16/384100116.db2.gz WBJPZSFVCPTWIZ-QWRGUYRKSA-N 1 1 291.351 2.641 20 5 CFBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361559761 285093250 /nfs/dbraw/zinc/09/32/50/285093250.db2.gz WNIGKIHIUGNFJJ-SNVBAGLBSA-N 1 1 270.304 2.591 20 5 CFBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361559761 285093252 /nfs/dbraw/zinc/09/32/52/285093252.db2.gz WNIGKIHIUGNFJJ-SNVBAGLBSA-N 1 1 270.304 2.591 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCO1 ZINC000266765506 384234883 /nfs/dbraw/zinc/23/48/83/384234883.db2.gz UXDHMWZZIBUQRJ-VXGBXAGGSA-N 1 1 264.325 2.767 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000266906471 384259106 /nfs/dbraw/zinc/25/91/06/384259106.db2.gz HXTGQSIXARGOST-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267026456 384282384 /nfs/dbraw/zinc/28/23/84/384282384.db2.gz LMNOYMSXHNTYHR-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063478 384290937 /nfs/dbraw/zinc/29/09/37/384290937.db2.gz UGERMZIOVZDIHQ-CABCVRRESA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595980 384421166 /nfs/dbraw/zinc/42/11/66/384421166.db2.gz ITGPJADYHKFQEC-GXFFZTMASA-N 1 1 281.331 2.510 20 5 CFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267719702 384450962 /nfs/dbraw/zinc/45/09/62/384450962.db2.gz AHSXJHLWNRSXTN-GRYCIOLGSA-N 1 1 291.351 2.510 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000268287624 384591865 /nfs/dbraw/zinc/59/18/65/384591865.db2.gz XXLHCCNQEXJYGS-CYBMUJFWSA-N 1 1 292.383 2.688 20 5 CFBDMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269674924 384829960 /nfs/dbraw/zinc/82/99/60/384829960.db2.gz VZGFXAWJLHNWRD-SWLSCSKDSA-N 1 1 278.352 2.750 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)CC1 ZINC000279902339 384806340 /nfs/dbraw/zinc/80/63/40/384806340.db2.gz DMSXMWPVJZUIPW-WFASDCNBSA-N 1 1 278.352 2.893 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279902334 384807176 /nfs/dbraw/zinc/80/71/76/384807176.db2.gz DMSXMWPVJZUIPW-SWLSCSKDSA-N 1 1 278.352 2.893 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270335029 385060793 /nfs/dbraw/zinc/06/07/93/385060793.db2.gz YERISFFTPFNSDI-ZFWWWQNUSA-N 1 1 298.346 2.847 20 5 CFBDMO CC1=CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270353948 385067409 /nfs/dbraw/zinc/06/74/09/385067409.db2.gz QHTYOBNOCFGMQV-UHFFFAOYSA-N 1 1 262.309 2.626 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000280725016 385128241 /nfs/dbraw/zinc/12/82/41/385128241.db2.gz YKNHXYCFWPDACE-LRDDRELGSA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000280725016 385128248 /nfs/dbraw/zinc/12/82/48/385128248.db2.gz YKNHXYCFWPDACE-LRDDRELGSA-N 1 1 290.363 2.903 20 5 CFBDMO C[NH+](C)CC1(NC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000282102198 385211608 /nfs/dbraw/zinc/21/16/08/385211608.db2.gz DFSDHFVHFOEZEY-VMPITWQZSA-N 1 1 289.379 2.682 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000271199780 385373668 /nfs/dbraw/zinc/37/36/68/385373668.db2.gz SUDPMHIEEOMRRU-JSGCOSHPSA-N 1 1 278.352 2.639 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272479311 385548382 /nfs/dbraw/zinc/54/83/82/385548382.db2.gz GMZHQPZVWUNGJR-HIFRSBDPSA-N 1 1 278.352 2.578 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272516012 385556878 /nfs/dbraw/zinc/55/68/78/385556878.db2.gz KTVYHQJLARRWNL-ZFWWWQNUSA-N 1 1 278.352 2.578 20 5 CFBDMO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000316939599 285187361 /nfs/dbraw/zinc/18/73/61/285187361.db2.gz AZJJBMLDSVZGAJ-LLVKDONJSA-N 1 1 298.346 2.792 20 5 CFBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866511 385636165 /nfs/dbraw/zinc/63/61/65/385636165.db2.gz YPKMLSJKUSIKNF-MNOVXSKESA-N 1 1 252.314 2.623 20 5 CFBDMO C[N@@H+]1CC=C(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286574297 385654135 /nfs/dbraw/zinc/65/41/35/385654135.db2.gz RWIZMNVRFMOQHZ-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO CCOc1cc(C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000276880998 386069075 /nfs/dbraw/zinc/06/90/75/386069075.db2.gz ITGOBUQZNWANPT-UHFFFAOYSA-N 1 1 250.298 2.588 20 5 CFBDMO CCOc1cc(C[N@@H+]2CCS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276954932 386091642 /nfs/dbraw/zinc/09/16/42/386091642.db2.gz UVWAYLNZUJZWQG-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(C[N@H+]2CCS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276954932 386091648 /nfs/dbraw/zinc/09/16/48/386091648.db2.gz UVWAYLNZUJZWQG-NSHDSACASA-N 1 1 296.392 2.931 20 5 CFBDMO CCOc1cc(Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000276981030 386097810 /nfs/dbraw/zinc/09/78/10/386097810.db2.gz YKMUKGWXGYJMHP-UHFFFAOYSA-N 1 1 261.281 2.547 20 5 CFBDMO Cc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000277106276 386130417 /nfs/dbraw/zinc/13/04/17/386130417.db2.gz VYTHKRAFWUDEOK-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO Cc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000277106276 386130425 /nfs/dbraw/zinc/13/04/25/386130425.db2.gz VYTHKRAFWUDEOK-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288236021 197033615 /nfs/dbraw/zinc/03/36/15/197033615.db2.gz FKDUPNSNAYURNK-GFCCVEGCSA-N 1 1 295.358 2.902 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426459372 533219310 /nfs/dbraw/zinc/21/93/10/533219310.db2.gz KKNHXJFPPDBXOI-BXUZGUMPSA-N 1 1 276.336 2.978 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281581981 195296214 /nfs/dbraw/zinc/29/62/14/195296214.db2.gz DIJOSWPBYAQEOR-RISCZKNCSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928740 533360695 /nfs/dbraw/zinc/36/06/95/533360695.db2.gz ZCTRYHXVMZMNKV-GFCCVEGCSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245287 533431869 /nfs/dbraw/zinc/43/18/69/533431869.db2.gz OLQWOYHBAFKBKV-WBMJQRKESA-N 1 1 285.347 2.945 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342055292 130224854 /nfs/dbraw/zinc/22/48/54/130224854.db2.gz APOZZWDUWUPMPZ-GFCCVEGCSA-N 1 1 284.381 2.783 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248340462 131113340 /nfs/dbraw/zinc/11/33/40/131113340.db2.gz IOQPZPPMZSYDFQ-WOPDTQHZSA-N 1 1 291.351 2.652 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248347922 131115249 /nfs/dbraw/zinc/11/52/49/131115249.db2.gz NYXSHNAERDONJO-ZYHUDNBSSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382675 131121492 /nfs/dbraw/zinc/12/14/92/131121492.db2.gz UAIZWNOYVZCUQP-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382675 131121494 /nfs/dbraw/zinc/12/14/94/131121494.db2.gz UAIZWNOYVZCUQP-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1nc(N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000268535349 132023012 /nfs/dbraw/zinc/02/30/12/132023012.db2.gz YEGWSCFAAJLRJT-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000268945004 132091798 /nfs/dbraw/zinc/09/17/98/132091798.db2.gz BAPIBAPIDZGOFH-JSGCOSHPSA-N 1 1 296.392 2.783 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000268945004 132091799 /nfs/dbraw/zinc/09/17/99/132091799.db2.gz BAPIBAPIDZGOFH-JSGCOSHPSA-N 1 1 296.392 2.783 20 5 CFBDMO CCCc1[nH+]ccn1CCOc1ccccc1[N+](=O)[O-] ZINC000269360108 132160550 /nfs/dbraw/zinc/16/05/50/132160550.db2.gz MJYJTWFGZGITOE-UHFFFAOYSA-N 1 1 275.308 2.823 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305864819 393504393 /nfs/dbraw/zinc/50/43/93/393504393.db2.gz MRUQABXWLAPLBU-XQQFMLRXSA-N 1 1 278.352 2.667 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cs1 ZINC000037562571 393532239 /nfs/dbraw/zinc/53/22/39/393532239.db2.gz BUMZPGPDWDSYQI-UHFFFAOYSA-N 1 1 292.316 2.675 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000078681281 393710429 /nfs/dbraw/zinc/71/04/29/393710429.db2.gz XCXGRNBPQKEEIF-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000078681281 393710431 /nfs/dbraw/zinc/71/04/31/393710431.db2.gz XCXGRNBPQKEEIF-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO CCSCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606458 393763690 /nfs/dbraw/zinc/76/36/90/393763690.db2.gz PQNMNSIEXZWZIY-UHFFFAOYSA-N 1 1 266.366 2.706 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650552 393772626 /nfs/dbraw/zinc/77/26/26/393772626.db2.gz GHNDTLOFAXVAOE-SNVBAGLBSA-N 1 1 298.774 2.785 20 5 CFBDMO Cc1ccc(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000093443673 393798683 /nfs/dbraw/zinc/79/86/83/393798683.db2.gz FRHQXQZLTVEYLQ-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO Cc1ccc(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000093443673 393798688 /nfs/dbraw/zinc/79/86/88/393798688.db2.gz FRHQXQZLTVEYLQ-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246260211 393857290 /nfs/dbraw/zinc/85/72/90/393857290.db2.gz QQFOFQPWNLPXBF-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878384 393858736 /nfs/dbraw/zinc/85/87/36/393858736.db2.gz RSCSXPASFBMBSI-XUJVJEKNSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878384 393858739 /nfs/dbraw/zinc/85/87/39/393858739.db2.gz RSCSXPASFBMBSI-XUJVJEKNSA-N 1 1 289.379 2.728 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805145 393917549 /nfs/dbraw/zinc/91/75/49/393917549.db2.gz PQSNGQQNHDWWFV-YPMHNXCESA-N 1 1 278.352 2.673 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270108977 394010099 /nfs/dbraw/zinc/01/00/99/394010099.db2.gz MHOWMCFZOQLEAK-TYNCELHUSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125773111 394013272 /nfs/dbraw/zinc/01/32/72/394013272.db2.gz PYHYUXAVLVQBOU-GFCCVEGCSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000438345688 394079360 /nfs/dbraw/zinc/07/93/60/394079360.db2.gz AHENWOIQRCFPPG-UTUOFQBUSA-N 1 1 264.325 2.593 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000438345688 394079362 /nfs/dbraw/zinc/07/93/62/394079362.db2.gz AHENWOIQRCFPPG-UTUOFQBUSA-N 1 1 264.325 2.593 20 5 CFBDMO CC(C)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487966637 394033780 /nfs/dbraw/zinc/03/37/80/394033780.db2.gz XFPZFTKDXSETPR-OAHLLOKOSA-N 1 1 295.358 2.506 20 5 CFBDMO Cc1cc(N(C)C[C@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420630553 394121380 /nfs/dbraw/zinc/12/13/80/394121380.db2.gz DWENXMNYWJHCHI-LLVKDONJSA-N 1 1 281.331 2.573 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420938671 394130862 /nfs/dbraw/zinc/13/08/62/394130862.db2.gz KXKYGCJVERAKED-AGIUHOORSA-N 1 1 278.352 2.606 20 5 CFBDMO CC(C)[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284019903 394134385 /nfs/dbraw/zinc/13/43/85/394134385.db2.gz OHMUPHMKDYXNFF-OAHLLOKOSA-N 1 1 278.352 2.576 20 5 CFBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047728 394144356 /nfs/dbraw/zinc/14/43/56/394144356.db2.gz NFQVTHLKXBSBHS-RYUDHWBXSA-N 1 1 295.358 2.961 20 5 CFBDMO COC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493129505 394157670 /nfs/dbraw/zinc/15/76/70/394157670.db2.gz FULLIRAWKVSUKA-JTQLQIEISA-N 1 1 284.743 2.717 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421046090 394168950 /nfs/dbraw/zinc/16/89/50/394168950.db2.gz WCBIXXDJUMAMMR-ZDUSSCGKSA-N 1 1 278.352 2.579 20 5 CFBDMO Cc1c(C[N@H+](C(C)C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000291790650 394260943 /nfs/dbraw/zinc/26/09/43/394260943.db2.gz MSBPJUZNDXONQP-AWEZNQCLSA-N 1 1 278.352 2.903 20 5 CFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630789 394282408 /nfs/dbraw/zinc/28/24/08/394282408.db2.gz JEIYXTKIYBFMQV-CABCVRRESA-N 1 1 290.363 2.984 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153682877 394289318 /nfs/dbraw/zinc/28/93/18/394289318.db2.gz AVVHVCBOQBJANZ-SECBINFHSA-N 1 1 286.763 2.785 20 5 CFBDMO CC[N@@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000153676750 394289566 /nfs/dbraw/zinc/28/95/66/394289566.db2.gz POVYINQIEFSCPX-UHFFFAOYSA-N 1 1 286.763 2.785 20 5 CFBDMO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104159 394357604 /nfs/dbraw/zinc/35/76/04/394357604.db2.gz PVBRRMPJKXCQHN-GXTWGEPZSA-N 1 1 277.368 2.730 20 5 CFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270340 394381193 /nfs/dbraw/zinc/38/11/93/394381193.db2.gz LRRWEYFQFYQDDQ-QWHCGFSZSA-N 1 1 280.372 2.692 20 5 CFBDMO CCn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000541770995 394684189 /nfs/dbraw/zinc/68/41/89/394684189.db2.gz JPTKOVJJVJYTKT-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO CCn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000541770995 394684190 /nfs/dbraw/zinc/68/41/90/394684190.db2.gz JPTKOVJJVJYTKT-UHFFFAOYSA-N 1 1 288.351 2.752 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000547768491 394888226 /nfs/dbraw/zinc/88/82/26/394888226.db2.gz RCZDRCZEDFBNBX-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000547768491 394888231 /nfs/dbraw/zinc/88/82/31/394888231.db2.gz RCZDRCZEDFBNBX-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000548753767 394950693 /nfs/dbraw/zinc/95/06/93/394950693.db2.gz LMBUYJSRYBOCRI-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000548753767 394950695 /nfs/dbraw/zinc/95/06/95/394950695.db2.gz LMBUYJSRYBOCRI-AOOOYVTPSA-N 1 1 288.307 2.628 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(F)CC1 ZINC000555340229 394972222 /nfs/dbraw/zinc/97/22/22/394972222.db2.gz UJFCFZZKMRVGEY-UHFFFAOYSA-N 1 1 252.289 2.571 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+]1C ZINC000421010770 397572211 /nfs/dbraw/zinc/57/22/11/397572211.db2.gz RDXAQRQSAKHMJO-QWHCGFSZSA-N 1 1 277.368 2.682 20 5 CFBDMO CCCCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355785843 155086235 /nfs/dbraw/zinc/08/62/35/155086235.db2.gz MCWYSXBEWASOBZ-UHFFFAOYSA-N 1 1 268.361 2.729 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367047730 156271816 /nfs/dbraw/zinc/27/18/16/156271816.db2.gz MGXKEECTGVJEFK-HNNXBMFYSA-N 1 1 276.336 2.658 20 5 CFBDMO O=[N+]([O-])c1c(F)cccc1NCc1c[nH+]c2n1CCCC2 ZINC000367418551 156329391 /nfs/dbraw/zinc/32/93/91/156329391.db2.gz LFJSOAADWFJPHS-UHFFFAOYSA-N 1 1 290.298 2.879 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374400080 157108540 /nfs/dbraw/zinc/10/85/40/157108540.db2.gz OPKHIXLLMFLMIG-NWDGAFQWSA-N 1 1 294.326 2.592 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC000375325504 157228920 /nfs/dbraw/zinc/22/89/20/157228920.db2.gz DZZHFRPPKOWDCT-HNNXBMFYSA-N 1 1 276.336 2.658 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000376464858 157358262 /nfs/dbraw/zinc/35/82/62/157358262.db2.gz UADLUDDNAUTUAS-UHFFFAOYSA-N 1 1 276.336 2.658 20 5 CFBDMO CC[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423369104 286909063 /nfs/dbraw/zinc/90/90/63/286909063.db2.gz SIZZCHLKOCXBFM-UKRRQHHQSA-N 1 1 277.368 2.778 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[NH+](C)C ZINC000344860660 162136080 /nfs/dbraw/zinc/13/60/80/162136080.db2.gz PPIDPSWAPPHINU-RAXLEYEMSA-N 1 1 277.368 2.539 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)C ZINC000344860660 162136082 /nfs/dbraw/zinc/13/60/82/162136082.db2.gz PPIDPSWAPPHINU-RAXLEYEMSA-N 1 1 277.368 2.539 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000345102412 162179882 /nfs/dbraw/zinc/17/98/82/162179882.db2.gz ZXSMGHBMPALETP-UHFFFAOYSA-N 1 1 276.292 2.699 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180493 162342095 /nfs/dbraw/zinc/34/20/95/162342095.db2.gz BYWNFCJJUOFUES-ZIAGYGMSSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180493 162342098 /nfs/dbraw/zinc/34/20/98/162342098.db2.gz BYWNFCJJUOFUES-ZIAGYGMSSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180493 162342101 /nfs/dbraw/zinc/34/21/01/162342101.db2.gz BYWNFCJJUOFUES-ZIAGYGMSSA-N 1 1 291.395 2.552 20 5 CFBDMO CCC[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000346343322 162389083 /nfs/dbraw/zinc/38/90/83/162389083.db2.gz HDHYGLASMIQCBM-UHFFFAOYSA-N 1 1 279.340 2.574 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349668808 163000848 /nfs/dbraw/zinc/00/08/48/163000848.db2.gz OFWLOXGFBWHGTK-ZDUSSCGKSA-N 1 1 292.360 2.788 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000349960900 163043396 /nfs/dbraw/zinc/04/33/96/163043396.db2.gz AVSPIAULEPUVJW-UHFFFAOYSA-N 1 1 259.309 2.863 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000349960900 163043397 /nfs/dbraw/zinc/04/33/97/163043397.db2.gz AVSPIAULEPUVJW-UHFFFAOYSA-N 1 1 259.309 2.863 20 5 CFBDMO CCOC1CC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000351851669 163203908 /nfs/dbraw/zinc/20/39/08/163203908.db2.gz JLEUFLXUPWSXTC-UHFFFAOYSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352676049 163220867 /nfs/dbraw/zinc/22/08/67/163220867.db2.gz SQVMZDUXYWMQQW-DDTOSNHZSA-N 1 1 264.325 2.501 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1(O)CCC1 ZINC000353505269 163380689 /nfs/dbraw/zinc/38/06/89/163380689.db2.gz CLKNQEVSGHWEOS-LBPRGKRZSA-N 1 1 278.352 2.811 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278789587 287051795 /nfs/dbraw/zinc/05/17/95/287051795.db2.gz QHGLYHNVUMKPHY-WDEREUQCSA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536031 287054230 /nfs/dbraw/zinc/05/42/30/287054230.db2.gz YXXQFPZEUDVEQK-ABAIWWIYSA-N 1 1 277.368 2.763 20 5 CFBDMO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284192522 196000555 /nfs/dbraw/zinc/00/05/55/196000555.db2.gz YGVCNAAUVCUHAP-HNNXBMFYSA-N 1 1 292.379 2.966 20 5 CFBDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035258928 172090717 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CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534131 175197155 /nfs/dbraw/zinc/19/71/55/175197155.db2.gz YQKQOUWAJLXWJN-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534131 175197156 /nfs/dbraw/zinc/19/71/56/175197156.db2.gz YQKQOUWAJLXWJN-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534131 175197158 /nfs/dbraw/zinc/19/71/58/175197158.db2.gz YQKQOUWAJLXWJN-CZUORRHYSA-N 1 1 291.395 2.977 20 5 CFBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044572619 175210402 /nfs/dbraw/zinc/21/04/02/175210402.db2.gz ABMYWOAWWWWLKI-SNVBAGLBSA-N 1 1 267.304 2.629 20 5 CFBDMO Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C ZINC000313872902 261534598 /nfs/dbraw/zinc/53/45/98/261534598.db2.gz ZTWJEHLOWCTXHH-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO CCOc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094195454 265223629 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C[N@H+]1CCC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133732191 277084445 /nfs/dbraw/zinc/08/44/45/277084445.db2.gz YUQLQHOSTIJYMU-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000129165453 277084841 /nfs/dbraw/zinc/08/48/41/277084841.db2.gz FONZXADCSPTZQT-AAEUAGOBSA-N 1 1 293.342 2.654 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181647 /nfs/dbraw/zinc/18/16/47/277181647.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 1 1 289.379 2.511 20 5 CFBDMO COCCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266757727 277205585 /nfs/dbraw/zinc/20/55/85/277205585.db2.gz SEPGCIFJOUTDMJ-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000278822614 278286548 /nfs/dbraw/zinc/28/65/48/278286548.db2.gz SOQAFBYIDRLUKZ-NHYWBVRUSA-N 1 1 277.368 2.512 20 5 CFBDMO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423383801 288070342 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20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252921904 281079187 /nfs/dbraw/zinc/07/91/87/281079187.db2.gz HTNJRBDAEVNZJK-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252921904 281079188 /nfs/dbraw/zinc/07/91/88/281079188.db2.gz HTNJRBDAEVNZJK-ZIAGYGMSSA-N 1 1 298.770 2.984 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733206 281208024 /nfs/dbraw/zinc/20/80/24/281208024.db2.gz JRFSGHNFUFQXES-WDEREUQCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000398733206 281208025 /nfs/dbraw/zinc/20/80/25/281208025.db2.gz JRFSGHNFUFQXES-WDEREUQCSA-N 1 1 298.770 2.699 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCN(C)C ZINC000516348343 281302889 /nfs/dbraw/zinc/30/28/89/281302889.db2.gz SXKPOVLDFGKSGR-KAMYIIQDSA-N 1 1 291.395 2.882 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCN(C)C ZINC000516348343 281302890 /nfs/dbraw/zinc/30/28/90/281302890.db2.gz SXKPOVLDFGKSGR-KAMYIIQDSA-N 1 1 291.395 2.882 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000558629355 281986952 /nfs/dbraw/zinc/98/69/52/281986952.db2.gz WCUUBEPSYCQPQS-LLVKDONJSA-N 1 1 291.307 2.621 20 5 CFBDMO CCCc1[nH+]ccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000153516672 289870239 /nfs/dbraw/zinc/87/02/39/289870239.db2.gz AMOVTIAADYGZBC-UHFFFAOYSA-N 1 1 263.272 2.931 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(CCO)CC1 ZINC000401003236 290025636 /nfs/dbraw/zinc/02/56/36/290025636.db2.gz NUDFLXBTHSCCNA-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO C[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416687 290146374 /nfs/dbraw/zinc/14/63/74/290146374.db2.gz INIXRJAGOCMBHY-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO CN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416687 290146380 /nfs/dbraw/zinc/14/63/80/290146380.db2.gz INIXRJAGOCMBHY-DOMZBBRYSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214116 290358824 /nfs/dbraw/zinc/35/88/24/290358824.db2.gz DOWULOFUTQBTPN-NEPJUHHUSA-N 1 1 296.392 2.720 20 5 CFBDMO C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000566214116 290358827 /nfs/dbraw/zinc/35/88/27/290358827.db2.gz DOWULOFUTQBTPN-NEPJUHHUSA-N 1 1 296.392 2.720 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000291833749 295255124 /nfs/dbraw/zinc/25/51/24/295255124.db2.gz OGOVNXGTOUWFHD-AWEZNQCLSA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628096 300220353 /nfs/dbraw/zinc/22/03/53/300220353.db2.gz LTINNWYMWJPVBG-CMPLNLGQSA-N 1 1 281.331 2.510 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000408172232 301202711 /nfs/dbraw/zinc/20/27/11/301202711.db2.gz UEWBEUYDNAOXNJ-STQMWFEESA-N 1 1 292.383 2.526 20 5 CFBDMO COc1cccc([N+](=O)[O-])c1NCCCn1cc[nH+]c1C ZINC000583960103 325321437 /nfs/dbraw/zinc/32/14/37/325321437.db2.gz IMAKJAAOSUTFPZ-UHFFFAOYSA-N 1 1 290.323 2.611 20 5 CFBDMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480395 521514181 /nfs/dbraw/zinc/51/41/81/521514181.db2.gz JHUQTDTYSNRLPH-LLVKDONJSA-N 1 1 279.340 2.572 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000220301261 522058669 /nfs/dbraw/zinc/05/86/69/522058669.db2.gz GTUPGTPTZBKKLE-LLVKDONJSA-N 1 1 281.356 2.746 20 5 CFBDMO C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422920624 533844466 /nfs/dbraw/zinc/84/44/66/533844466.db2.gz MJEOXGKTCVNMEE-BBRMVZONSA-N 1 1 291.395 2.648 20 5 CFBDMO C[C@H]([NH2+]CCN)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423174706 533855002 /nfs/dbraw/zinc/85/50/02/533855002.db2.gz CMXUBMASDVRZJF-JTQLQIEISA-N 1 1 291.376 2.933 20 5 CFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1csnn1 ZINC000414307975 534254242 /nfs/dbraw/zinc/25/42/42/534254242.db2.gz SGNCTLLBYCTWNL-UWVGGRQHSA-N 1 1 292.364 2.728 20 5 CFBDMO CC(C)CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000052246408 519650630 /nfs/dbraw/zinc/65/06/30/519650630.db2.gz ZLMZAIFUJFLWNY-UHFFFAOYSA-N 1 1 266.341 2.952 20 5 CFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000054127951 520239251 /nfs/dbraw/zinc/23/92/51/520239251.db2.gz ZELXVBZXXAWWMZ-UHFFFAOYSA-N 1 1 274.324 2.507 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000357778548 521613447 /nfs/dbraw/zinc/61/34/47/521613447.db2.gz DIYLXGSOICJSKU-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000220302297 522059143 /nfs/dbraw/zinc/05/91/43/522059143.db2.gz YKCZCJPKPQOMBC-SNVBAGLBSA-N 1 1 299.346 2.885 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453109 522061109 /nfs/dbraw/zinc/06/11/09/522061109.db2.gz FEQSZRBXIFOTRQ-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453109 522061113 /nfs/dbraw/zinc/06/11/13/522061113.db2.gz FEQSZRBXIFOTRQ-CHWSQXEVSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453110 523920806 /nfs/dbraw/zinc/92/08/06/523920806.db2.gz FEQSZRBXIFOTRQ-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453110 523920812 /nfs/dbraw/zinc/92/08/12/523920812.db2.gz FEQSZRBXIFOTRQ-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311655514 523937350 /nfs/dbraw/zinc/93/73/50/523937350.db2.gz VFBMIQQUFBINEL-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO CC[C@H](C)[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311655514 523937356 /nfs/dbraw/zinc/93/73/56/523937356.db2.gz VFBMIQQUFBINEL-JTQLQIEISA-N 1 1 286.759 2.841 20 5 CFBDMO C[C@@H](CO)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483457 524789453 /nfs/dbraw/zinc/78/94/53/524789453.db2.gz DOBAGOOOQUNIFV-NSHDSACASA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000158238257 524807632 /nfs/dbraw/zinc/80/76/32/524807632.db2.gz KBDCWSIVRVCAAZ-JQWIXIFHSA-N 1 1 297.786 2.821 20 5 CFBDMO Cc1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609039 525320939 /nfs/dbraw/zinc/32/09/39/525320939.db2.gz OAHFZFAQZKEBOT-RYUDHWBXSA-N 1 1 275.352 2.940 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)nc1 ZINC000062053206 525459969 /nfs/dbraw/zinc/45/99/69/525459969.db2.gz RYPPFURYTPGZEP-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000312530510 525528156 /nfs/dbraw/zinc/52/81/56/525528156.db2.gz GGQPHZIEEFSJGH-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367445784 525709379 /nfs/dbraw/zinc/70/93/79/525709379.db2.gz APEHWKHAMWOYIU-INIZCTEOSA-N 1 1 290.363 2.906 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246514754 525710025 /nfs/dbraw/zinc/71/00/25/525710025.db2.gz FLULUTIBLLVLRF-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000360871630 526060324 /nfs/dbraw/zinc/06/03/24/526060324.db2.gz KQUKHEJJJRKDFF-BETUJISGSA-N 1 1 292.383 2.973 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208385 526250893 /nfs/dbraw/zinc/25/08/93/526250893.db2.gz QTEYUUVZUIOKRD-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO Cc1nc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000161530473 526997746 /nfs/dbraw/zinc/99/77/46/526997746.db2.gz YLJKDRYRZYOVNE-YHWZYXNKSA-N 1 1 290.367 2.583 20 5 CFBDMO O=[N+]([O-])c1cc(Cn2c[nH+]c3c2CCCC3)cs1 ZINC000336269825 527335981 /nfs/dbraw/zinc/33/59/81/527335981.db2.gz PDXAGXMUVGAULR-UHFFFAOYSA-N 1 1 263.322 2.780 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160747046 527349125 /nfs/dbraw/zinc/34/91/25/527349125.db2.gz YLSGSGQUKNXFTN-GDBMZVCRSA-N 1 1 290.363 2.722 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000363692566 527356750 /nfs/dbraw/zinc/35/67/50/527356750.db2.gz NUNJPKPSMKCEOC-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000363692566 527356756 /nfs/dbraw/zinc/35/67/56/527356756.db2.gz NUNJPKPSMKCEOC-GJZGRUSLSA-N 1 1 294.326 2.877 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156183581 527358390 /nfs/dbraw/zinc/35/83/90/527358390.db2.gz CBBPOVQINLTOIP-VXGBXAGGSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC3CCC2CC3)c1 ZINC000361995870 527394888 /nfs/dbraw/zinc/39/48/88/527394888.db2.gz JCOMHKVQMNXZJQ-HGMXIMQMSA-N 1 1 276.336 2.503 20 5 CFBDMO Cc1ncsc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000071212594 527510333 /nfs/dbraw/zinc/51/03/33/527510333.db2.gz NNUNKAUXPXINMP-UHFFFAOYSA-N 1 1 263.322 2.650 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413308871 528001072 /nfs/dbraw/zinc/00/10/72/528001072.db2.gz KQWSIKVSGQHDLZ-JTQLQIEISA-N 1 1 284.335 2.661 20 5 CFBDMO COC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449772151 536529013 /nfs/dbraw/zinc/52/90/13/536529013.db2.gz GSQVTXZSGMELGG-NSHDSACASA-N 1 1 284.381 2.905 20 5 CFBDMO CCC[C@H](NC[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423255484 528223756 /nfs/dbraw/zinc/22/37/56/528223756.db2.gz AFUBCZGRNWKQKR-DOMZBBRYSA-N 1 1 279.384 2.881 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341822066 534958915 /nfs/dbraw/zinc/95/89/15/534958915.db2.gz KSONAIBIFPDXSH-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000221679007 535003787 /nfs/dbraw/zinc/00/37/87/535003787.db2.gz MPYCUNPNMMWLHM-UHFFFAOYSA-N 1 1 251.330 2.737 20 5 CFBDMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459783795 535945823 /nfs/dbraw/zinc/94/58/23/535945823.db2.gz WFRWQXHBAJNLHI-OLZOCXBDSA-N 1 1 286.278 2.530 20 5 CFBDMO Cc1nn(C[N@@H+]2CCCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000738227458 574055826 /nfs/dbraw/zinc/05/58/26/574055826.db2.gz VBSDJJFPLQUDHA-SNVBAGLBSA-N 1 1 266.345 2.630 20 5 CFBDMO C[C@@H]1CC[N@@H+](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450600 574075077 /nfs/dbraw/zinc/07/50/77/574075077.db2.gz XKGVIRPCTNIJHL-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO C[C@@H]1CCN(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450600 574075078 /nfs/dbraw/zinc/07/50/78/574075078.db2.gz XKGVIRPCTNIJHL-LLVKDONJSA-N 1 1 297.786 2.680 20 5 CFBDMO CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754372892 574091382 /nfs/dbraw/zinc/09/13/82/574091382.db2.gz MPRMRPHMRNAQJR-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728563383 574100965 /nfs/dbraw/zinc/10/09/65/574100965.db2.gz SPWSANZKTPDMJM-CQSZACIVSA-N 1 1 286.335 2.776 20 5 CFBDMO COCC(C)(C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000756081269 574208343 /nfs/dbraw/zinc/20/83/43/574208343.db2.gz UPQPNMBGJXQIGW-UHFFFAOYSA-N 1 1 278.352 2.626 20 5 CFBDMO Cc1ccccc1[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780514 574306874 /nfs/dbraw/zinc/30/68/74/574306874.db2.gz VIDPAUDLAMCVCS-ZDUSSCGKSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780507 574307010 /nfs/dbraw/zinc/30/70/10/574307010.db2.gz VIDPAUDLAMCVCS-CYBMUJFWSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1c(CO[NH+]=C(N)CC2CC2)cccc1[N+](=O)[O-] ZINC000742364689 574324165 /nfs/dbraw/zinc/32/41/65/574324165.db2.gz IZZUDDZVPONIOM-UHFFFAOYSA-N 1 1 263.297 2.702 20 5 CFBDMO Cc1cccc(NCCNc2cccc(F)c2[N+](=O)[O-])[nH+]1 ZINC000750171500 574329101 /nfs/dbraw/zinc/32/91/01/574329101.db2.gz MDSMIFJPLWGKOD-UHFFFAOYSA-N 1 1 290.298 2.961 20 5 CFBDMO CCC[N@@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000750604655 574349044 /nfs/dbraw/zinc/34/90/44/574349044.db2.gz WUJOZWWYEFMYNA-UHFFFAOYSA-N 1 1 262.313 2.634 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891662816 617699341 /nfs/dbraw/zinc/69/93/41/617699341.db2.gz RIPCWDXLZOVJFV-UHFFFAOYSA-N 1 1 280.324 2.682 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892209633 618000341 /nfs/dbraw/zinc/00/03/41/618000341.db2.gz CJNLFJQEGYJTPE-VHSXEESVSA-N 1 1 280.324 2.539 20 5 CFBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000307763683 618094707 /nfs/dbraw/zinc/09/47/07/618094707.db2.gz JNGGIQZHELZWFO-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000932972397 618130713 /nfs/dbraw/zinc/13/07/13/618130713.db2.gz ODVPWESKFZDIOS-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000932972397 618130719 /nfs/dbraw/zinc/13/07/19/618130719.db2.gz ODVPWESKFZDIOS-LBPRGKRZSA-N 1 1 284.743 2.859 20 5 CFBDMO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000893328563 618370504 /nfs/dbraw/zinc/37/05/04/618370504.db2.gz NAXSTDBUPZYKIY-UHFFFAOYSA-N 1 1 276.292 2.876 20 5 CFBDMO C[C@@H](N)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516135 618855072 /nfs/dbraw/zinc/85/50/72/618855072.db2.gz VOZQLPZZYGCFQW-DYVFJYSZSA-N 1 1 299.374 2.815 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312178747 618901967 /nfs/dbraw/zinc/90/19/67/618901967.db2.gz SROYCXUQBDQABJ-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000312178747 618901968 /nfs/dbraw/zinc/90/19/68/618901968.db2.gz SROYCXUQBDQABJ-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000162890542 619069142 /nfs/dbraw/zinc/06/91/42/619069142.db2.gz LVKOMENRHBQBRF-UHFFFAOYSA-N 1 1 274.324 2.634 20 5 CFBDMO CC[N@@H+](CCC1CC1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893589045 619080878 /nfs/dbraw/zinc/08/08/78/619080878.db2.gz CKYNGERBCVVELT-UHFFFAOYSA-N 1 1 294.351 2.931 20 5 CFBDMO CCn1nccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895480886 619539693 /nfs/dbraw/zinc/53/96/93/619539693.db2.gz NZOSYUWDGKGSPN-UHFFFAOYSA-N 1 1 294.742 2.754 20 5 CFBDMO Cc1cccc(NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000895471597 619539696 /nfs/dbraw/zinc/53/96/96/619539696.db2.gz TXANVLQFWYDUDO-UHFFFAOYSA-N 1 1 286.335 2.976 20 5 CFBDMO Cc1cc(NCCn2cc[nH+]c2C(C)C)ncc1[N+](=O)[O-] ZINC000895987384 619649522 /nfs/dbraw/zinc/64/95/22/619649522.db2.gz DKMGVISVWPHQAU-UHFFFAOYSA-N 1 1 289.339 2.730 20 5 CFBDMO Cc1ccc(NCCNc2ncc([N+](=O)[O-])cc2C)[nH+]c1 ZINC000896456883 619741990 /nfs/dbraw/zinc/74/19/90/619741990.db2.gz GUZNLYRZKULIQJ-UHFFFAOYSA-N 1 1 287.323 2.526 20 5 CFBDMO CCO[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000897069513 619925195 /nfs/dbraw/zinc/92/51/95/619925195.db2.gz WPDDANCFFZUSJF-DYLGSBMWSA-N 1 1 276.336 2.719 20 5 CFBDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000054566544 620407449 /nfs/dbraw/zinc/40/74/49/620407449.db2.gz SCUMCXSMDULLMK-AWEZNQCLSA-N 1 1 286.335 2.894 20 5 CFBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000054566544 620407451 /nfs/dbraw/zinc/40/74/51/620407451.db2.gz SCUMCXSMDULLMK-AWEZNQCLSA-N 1 1 286.335 2.894 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000923891735 620444661 /nfs/dbraw/zinc/44/46/61/620444661.db2.gz IOEBIGLQBWIVTC-CQSZACIVSA-N 1 1 292.335 2.511 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C\Cl ZINC000898435558 620464414 /nfs/dbraw/zinc/46/44/14/620464414.db2.gz JDEYCLQYIBYDEK-UTCJRWHESA-N 1 1 270.716 2.836 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]2C2CCCC2)cc1 ZINC000899912294 620612877 /nfs/dbraw/zinc/61/28/77/620612877.db2.gz HONWMVSCPNIABN-HOTGVXAUSA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)c1 ZINC000899912914 620612941 /nfs/dbraw/zinc/61/29/41/620612941.db2.gz SWMMRSQFVBKBEX-CVEARBPZSA-N 1 1 290.363 2.893 20 5 CFBDMO CCn1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000902077708 620968923 /nfs/dbraw/zinc/96/89/23/620968923.db2.gz HHXMSSQHCJBINF-NSHDSACASA-N 1 1 274.324 2.662 20 5 CFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432599 621373072 /nfs/dbraw/zinc/37/30/72/621373072.db2.gz GBEPJKGACIESFI-HIFRSBDPSA-N 1 1 291.395 2.661 20 5 CFBDMO O=[N+]([O-])CC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000905398005 621758059 /nfs/dbraw/zinc/75/80/59/621758059.db2.gz DZXXQDHOGASMQM-MRXNPFEDSA-N 1 1 285.347 2.622 20 5 CFBDMO CC(C)(C)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172013427 623252979 /nfs/dbraw/zinc/25/29/79/623252979.db2.gz ZJNXLGGPQLLGKW-UHFFFAOYSA-N 1 1 266.345 2.507 20 5 CFBDMO CCc1nc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])co1 ZINC000825050727 623617185 /nfs/dbraw/zinc/61/71/85/623617185.db2.gz QLPOWCONNPKZIN-FNORWQNLSA-N 1 1 287.319 2.948 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000929820307 623821512 /nfs/dbraw/zinc/82/15/12/623821512.db2.gz HNPTUXXVLWARMI-HZPDHXFCSA-N 1 1 292.379 2.631 20 5 CFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827279987 623980414 /nfs/dbraw/zinc/98/04/14/623980414.db2.gz CNSVKIJWEUNTCK-BXUZGUMPSA-N 1 1 296.754 2.717 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000829121670 624378606 /nfs/dbraw/zinc/37/86/06/624378606.db2.gz VNDMRIKZELEFRM-LBPRGKRZSA-N 1 1 263.341 2.515 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000831533719 625044027 /nfs/dbraw/zinc/04/40/27/625044027.db2.gz KBTDBPHPFYNCIR-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)CC(C)(C)C ZINC000832099838 625223397 /nfs/dbraw/zinc/22/33/97/625223397.db2.gz OCESBICTYJEHCV-LBPRGKRZSA-N 1 1 298.358 2.963 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)CC(C)(C)C ZINC000832099837 625224107 /nfs/dbraw/zinc/22/41/07/625224107.db2.gz OCESBICTYJEHCV-GFCCVEGCSA-N 1 1 298.358 2.963 20 5 CFBDMO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923496426 626476599 /nfs/dbraw/zinc/47/65/99/626476599.db2.gz IDZHDERHMCPFTB-WDEREUQCSA-N 1 1 297.786 2.665 20 5 CFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000838797124 626505429 /nfs/dbraw/zinc/50/54/29/626505429.db2.gz NIBLNWXADOFKPD-HNNXBMFYSA-N 1 1 278.352 2.576 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)C3CC3)C2)cc1 ZINC000839032282 626521289 /nfs/dbraw/zinc/52/12/89/626521289.db2.gz PSGMTNDBWBKUQK-GDBMZVCRSA-N 1 1 290.363 2.545 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)C3CC3)C2)cc1 ZINC000839032286 626521301 /nfs/dbraw/zinc/52/13/01/626521301.db2.gz PSGMTNDBWBKUQK-ZBFHGGJFSA-N 1 1 290.363 2.545 20 5 CFBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839193024 626530898 /nfs/dbraw/zinc/53/08/98/626530898.db2.gz VVHAIDQOSLKCFW-CQSZACIVSA-N 1 1 278.352 2.749 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000839469707 626537486 /nfs/dbraw/zinc/53/74/86/626537486.db2.gz MYZKIKIKXLXXDK-UHFFFAOYSA-N 1 1 299.758 2.917 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCF)CC1 ZINC000886305624 626538924 /nfs/dbraw/zinc/53/89/24/626538924.db2.gz MRSQQCYQLNKOBK-UHFFFAOYSA-N 1 1 267.304 2.561 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675464 626551798 /nfs/dbraw/zinc/55/17/98/626551798.db2.gz PJAVSFMAWWIPKH-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839675464 626551799 /nfs/dbraw/zinc/55/17/99/626551799.db2.gz PJAVSFMAWWIPKH-ZYHUDNBSSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000851799639 634536342 /nfs/dbraw/zinc/53/63/42/634536342.db2.gz STSWUEVMRDSNAS-QMMMGPOBSA-N 1 1 253.302 2.512 20 5 CFBDMO CCOc1cc(NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000771227584 627586341 /nfs/dbraw/zinc/58/63/41/627586341.db2.gz CJJFQBYERYUUCW-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO CO[C@@H]1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018526 634628810 /nfs/dbraw/zinc/62/88/10/634628810.db2.gz NYGATSRJYOYWAK-UKRRQHHQSA-N 1 1 278.352 2.637 20 5 CFBDMO C[C@H]([N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277080 628125172 /nfs/dbraw/zinc/12/51/72/628125172.db2.gz NMAQEDLSBOJEAJ-SMDDNHRTSA-N 1 1 280.368 2.995 20 5 CFBDMO C[C@@H]([N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277070 628125208 /nfs/dbraw/zinc/12/52/08/628125208.db2.gz NMAQEDLSBOJEAJ-BXUZGUMPSA-N 1 1 280.368 2.995 20 5 CFBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000776580072 628160191 /nfs/dbraw/zinc/16/01/91/628160191.db2.gz QVVWXPIQSXCAKG-SWLSCSKDSA-N 1 1 280.368 2.995 20 5 CFBDMO C[C@@H](C1CC1)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579692 628160392 /nfs/dbraw/zinc/16/03/92/628160392.db2.gz NYCVVALYKNKHKS-ZBEGNZNMSA-N 1 1 290.363 2.891 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000776587106 628162134 /nfs/dbraw/zinc/16/21/34/628162134.db2.gz FCRMYSVARLLYHK-UHOFOFEASA-N 1 1 290.363 2.893 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000776587629 628162383 /nfs/dbraw/zinc/16/23/83/628162383.db2.gz XMYMJBZZGUFMJV-AWEZNQCLSA-N 1 1 276.336 2.504 20 5 CFBDMO CCCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000779201281 628360254 /nfs/dbraw/zinc/36/02/54/628360254.db2.gz ATPXGFJTZVWYLX-UHFFFAOYSA-N 1 1 263.341 2.928 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000782485538 628641484 /nfs/dbraw/zinc/64/14/84/628641484.db2.gz AVRXAXZBULKRFS-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000782485538 628641487 /nfs/dbraw/zinc/64/14/87/628641487.db2.gz AVRXAXZBULKRFS-QPUJVOFHSA-N 1 1 252.701 2.842 20 5 CFBDMO CC[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000852166728 634678806 /nfs/dbraw/zinc/67/88/06/634678806.db2.gz XDLGHZAIZSMQRR-GFCCVEGCSA-N 1 1 295.358 2.650 20 5 CFBDMO Cc1cccc([C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC000784028984 628766340 /nfs/dbraw/zinc/76/63/40/628766340.db2.gz YYCFKELLRPCHSY-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO Cc1cccc([C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC000784028984 628766344 /nfs/dbraw/zinc/76/63/44/628766344.db2.gz YYCFKELLRPCHSY-AWEZNQCLSA-N 1 1 286.335 2.547 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000784672492 628835455 /nfs/dbraw/zinc/83/54/55/628835455.db2.gz ZSOJWFNYAYWLAV-HAQNSBGRSA-N 1 1 298.770 2.984 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589643 629083845 /nfs/dbraw/zinc/08/38/45/629083845.db2.gz SHGNCNSIUGSLAL-NWDGAFQWSA-N 1 1 294.399 2.558 20 5 CFBDMO Cc1ccc([C@H]2CCCCC[N@H+]2CC[N+](=O)[O-])o1 ZINC000791052397 629284263 /nfs/dbraw/zinc/28/42/63/629284263.db2.gz MVZPKNKXESAAFO-GFCCVEGCSA-N 1 1 252.314 2.782 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ncccc2O)c1 ZINC000793258753 629516265 /nfs/dbraw/zinc/51/62/65/629516265.db2.gz NNFVNYAKEOUPBI-UHFFFAOYSA-N 1 1 293.710 2.639 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852457091 634750096 /nfs/dbraw/zinc/75/00/96/634750096.db2.gz OQCDQKHBQHATTQ-SMDDNHRTSA-N 1 1 296.342 2.717 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1=CCCOC1 ZINC000852518623 634770843 /nfs/dbraw/zinc/77/08/43/634770843.db2.gz LMBBJEVURXJVLG-UHFFFAOYSA-N 1 1 280.299 2.512 20 5 CFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534984 634772393 /nfs/dbraw/zinc/77/23/93/634772393.db2.gz SPYHJHQZXRPQHO-RISCZKNCSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533565 634772526 /nfs/dbraw/zinc/77/25/26/634772526.db2.gz AZMWAGSCWOJFRX-SMDDNHRTSA-N 1 1 296.754 2.717 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797416432 630063407 /nfs/dbraw/zinc/06/34/07/630063407.db2.gz HZKQURKVCKQFIF-NSHDSACASA-N 1 1 286.335 2.800 20 5 CFBDMO CC1=C[C@H](C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797420042 630064634 /nfs/dbraw/zinc/06/46/34/630064634.db2.gz XETUQQJGVBBEQX-NSHDSACASA-N 1 1 286.335 2.800 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)CC(C)C ZINC000797422319 630064765 /nfs/dbraw/zinc/06/47/65/630064765.db2.gz VOCFLXATSYYMKV-UHFFFAOYSA-N 1 1 281.312 2.648 20 5 CFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852700686 634810720 /nfs/dbraw/zinc/81/07/20/634810720.db2.gz QKZWMJFXIPUUOA-ZBVLDHOZSA-N 1 1 290.363 2.891 20 5 CFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801526334 630453156 /nfs/dbraw/zinc/45/31/56/630453156.db2.gz LAUCMWURRVVYGK-VXGBXAGGSA-N 1 1 295.358 2.648 20 5 CFBDMO CC[N@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804443804 630682099 /nfs/dbraw/zinc/68/20/99/630682099.db2.gz NTGUHBFRVBCEHF-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000807983547 630930665 /nfs/dbraw/zinc/93/06/65/630930665.db2.gz PPANHDYAMOABJQ-CMPLNLGQSA-N 1 1 291.351 2.692 20 5 CFBDMO CC(C)CC(N)=[NH+]OCCc1ccc([N+](=O)[O-])cc1 ZINC000808254867 630972222 /nfs/dbraw/zinc/97/22/22/630972222.db2.gz PEZJQHIVZAJTQM-UHFFFAOYSA-N 1 1 265.313 2.682 20 5 CFBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000809697337 631267000 /nfs/dbraw/zinc/26/70/00/631267000.db2.gz FBEWSBIXSUAJDI-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000841693205 631453062 /nfs/dbraw/zinc/45/30/62/631453062.db2.gz TYMOIQLRLCGJEV-NEPJUHHUSA-N 1 1 280.372 2.895 20 5 CFBDMO C[N@@H+](CCNc1cc(N)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000811765464 631619658 /nfs/dbraw/zinc/61/96/58/631619658.db2.gz HJVQOFMOAXRRJM-UHFFFAOYSA-N 1 1 292.383 2.853 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811803755 631623820 /nfs/dbraw/zinc/62/38/20/631623820.db2.gz QZVWTJYCLHPKSJ-LLVKDONJSA-N 1 1 293.367 2.940 20 5 CFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811848811 631632485 /nfs/dbraw/zinc/63/24/85/631632485.db2.gz UXWVHVQKZZBKDS-JTQLQIEISA-N 1 1 296.327 2.644 20 5 CFBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635437 631687997 /nfs/dbraw/zinc/68/79/97/631687997.db2.gz NKVMCZNCSOBLIL-CHWSQXEVSA-N 1 1 292.383 2.897 20 5 CFBDMO C[C@H]([NH2+]C1CC1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219027 631901082 /nfs/dbraw/zinc/90/10/82/631901082.db2.gz PUPZULTZOVDUPU-LURJTMIESA-N 1 1 280.309 2.519 20 5 CFBDMO Cc1cc(-c2noc([C@@H]([NH3+])CC(C)C)n2)cc([N+](=O)[O-])c1 ZINC000843239138 631910284 /nfs/dbraw/zinc/91/02/84/631910284.db2.gz DWVQBCZGCMLTDS-LBPRGKRZSA-N 1 1 290.323 2.999 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000844469356 632223591 /nfs/dbraw/zinc/22/35/91/632223591.db2.gz XHHFVKYUUGURQO-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000844469356 632223596 /nfs/dbraw/zinc/22/35/96/632223596.db2.gz XHHFVKYUUGURQO-GFCCVEGCSA-N 1 1 286.253 2.965 20 5 CFBDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815583958 632291995 /nfs/dbraw/zinc/29/19/95/632291995.db2.gz RVFXFMOPZRMEME-SECBINFHSA-N 1 1 292.364 2.793 20 5 CFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CO ZINC000857061698 635921909 /nfs/dbraw/zinc/92/19/09/635921909.db2.gz ULDCGQBJAZKDQO-JQWIXIFHSA-N 1 1 298.770 2.699 20 5 CFBDMO CCOc1cc(CO[NH+]=C(N)[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000848520194 633273814 /nfs/dbraw/zinc/27/38/14/633273814.db2.gz NZUQTUUJPDQXBS-GXSJLCMTSA-N 1 1 293.323 2.648 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccnc1F ZINC000848549908 633287014 /nfs/dbraw/zinc/28/70/14/633287014.db2.gz XILYEPHAYFFOPH-ZDUSSCGKSA-N 1 1 287.294 2.906 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848785628 633343443 /nfs/dbraw/zinc/34/34/43/633343443.db2.gz NMKRIOBZRGYUEJ-STQMWFEESA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000849325796 633617878 /nfs/dbraw/zinc/61/78/78/633617878.db2.gz SVOKMFPFYDIAEJ-QEJZJMRPSA-N 1 1 276.336 2.503 20 5 CFBDMO Cc1nn(C[NH+]2CCC(C3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000853534760 635031072 /nfs/dbraw/zinc/03/10/72/635031072.db2.gz PPXBOSGOUMASOY-UHFFFAOYSA-N 1 1 292.383 2.878 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000853553611 635034583 /nfs/dbraw/zinc/03/45/83/635034583.db2.gz GBDDSWHDMLLMER-ZDUSSCGKSA-N 1 1 278.356 2.651 20 5 CFBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000853553611 635034587 /nfs/dbraw/zinc/03/45/87/635034587.db2.gz GBDDSWHDMLLMER-ZDUSSCGKSA-N 1 1 278.356 2.651 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000853555309 635035968 /nfs/dbraw/zinc/03/59/68/635035968.db2.gz VLSCONFVHKUHFQ-AWEZNQCLSA-N 1 1 292.383 2.959 20 5 CFBDMO CCC1(CC)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853563061 635037401 /nfs/dbraw/zinc/03/74/01/635037401.db2.gz JNRXETHBEYUSRB-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO CCC1(CC)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853563061 635037406 /nfs/dbraw/zinc/03/74/06/635037406.db2.gz JNRXETHBEYUSRB-UHFFFAOYSA-N 1 1 266.345 2.651 20 5 CFBDMO Cc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577584 635040972 /nfs/dbraw/zinc/04/09/72/635040972.db2.gz UGDDDDRTTPHBNP-RYUDHWBXSA-N 1 1 286.335 2.552 20 5 CFBDMO Cc1nn(C[N@@H+](CCC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000853604769 635046814 /nfs/dbraw/zinc/04/68/14/635046814.db2.gz WUZKKSCNTVODGH-UHFFFAOYSA-N 1 1 292.383 2.878 20 5 CFBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853626671 635051869 /nfs/dbraw/zinc/05/18/69/635051869.db2.gz DGGGQWKGLANQHU-LBPRGKRZSA-N 1 1 288.351 2.880 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000119445833 637656912 /nfs/dbraw/zinc/65/69/12/637656912.db2.gz LINWCWWFVBVUJC-NSHDSACASA-N 1 1 274.324 2.634 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCCCCO)c2c1 ZINC000865655463 638492505 /nfs/dbraw/zinc/49/25/05/638492505.db2.gz HBNXLFLTHWUSKG-UHFFFAOYSA-N 1 1 289.335 2.530 20 5 CFBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000866112470 638743390 /nfs/dbraw/zinc/74/33/90/638743390.db2.gz CEFTZNWLCBQPCD-UHFFFAOYSA-N 1 1 298.774 2.564 20 5 CFBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000866114670 638744164 /nfs/dbraw/zinc/74/41/64/638744164.db2.gz OOZFSOAPPNPUSP-UHFFFAOYSA-N 1 1 263.341 2.515 20 5 CFBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192138 638766825 /nfs/dbraw/zinc/76/68/25/638766825.db2.gz CZQHMOXZMJTXMQ-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192138 638766827 /nfs/dbraw/zinc/76/68/27/638766827.db2.gz CZQHMOXZMJTXMQ-AWEZNQCLSA-N 1 1 284.319 2.588 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866208354 638770793 /nfs/dbraw/zinc/77/07/93/638770793.db2.gz TZCRAMHEZWJFIL-GWCFXTLKSA-N 1 1 295.770 2.779 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866581884 638848409 /nfs/dbraw/zinc/84/84/09/638848409.db2.gz BPQQEIZBJFHSMR-UMVBOHGHSA-N 1 1 289.379 2.682 20 5 CFBDMO Cc1nn(C[N@H+](C)C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121225978 638874956 /nfs/dbraw/zinc/87/49/56/638874956.db2.gz SAYFWOWJXALOFN-UHFFFAOYSA-N 1 1 274.324 2.695 20 5 CFBDMO C[N@H+](CCCCc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193422543 650651830 /nfs/dbraw/zinc/65/18/30/650651830.db2.gz APEASYBMNOZZKY-UHFFFAOYSA-N 1 1 288.351 2.704 20 5 CFBDMO C[N@@H+](CCCCc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193422543 650651833 /nfs/dbraw/zinc/65/18/33/650651833.db2.gz APEASYBMNOZZKY-UHFFFAOYSA-N 1 1 288.351 2.704 20 5 CFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)[NH+](C)C ZINC000872033943 641564289 /nfs/dbraw/zinc/56/42/89/641564289.db2.gz KLPSPVTVKFZZNM-WDEREUQCSA-N 1 1 297.424 2.917 20 5 CFBDMO CC(C)OCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062795 641593915 /nfs/dbraw/zinc/59/39/15/641593915.db2.gz QDVQOFLXENUCSB-JTQLQIEISA-N 1 1 270.304 2.810 20 5 CFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193725742 650689611 /nfs/dbraw/zinc/68/96/11/650689611.db2.gz QHMFXEGULDSVEP-SECBINFHSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780611 641934577 /nfs/dbraw/zinc/93/45/77/641934577.db2.gz MNDANOIGBSILOG-STQMWFEESA-N 1 1 293.342 2.715 20 5 CFBDMO Cc1c(CNC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141469 642028376 /nfs/dbraw/zinc/02/83/76/642028376.db2.gz FSSAGAMLIBCNCM-CQSZACIVSA-N 1 1 291.395 2.725 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000876751411 642994311 /nfs/dbraw/zinc/99/43/11/642994311.db2.gz YPAOCOQGXIHKOK-GXTWGEPZSA-N 1 1 292.379 2.947 20 5 CFBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCCCC2)o1 ZINC000877945159 643657219 /nfs/dbraw/zinc/65/72/19/643657219.db2.gz MOXUHDNQDHKGMV-UHFFFAOYSA-N 1 1 288.307 2.631 20 5 CFBDMO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877982851 643678146 /nfs/dbraw/zinc/67/81/46/643678146.db2.gz CEHKBMQXGNERPJ-UHFFFAOYSA-N 1 1 290.323 2.875 20 5 CFBDMO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000090721325 650880783 /nfs/dbraw/zinc/88/07/83/650880783.db2.gz DFICFZBCWKSVLA-CMPLNLGQSA-N 1 1 297.786 2.821 20 5 CFBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774627 650963163 /nfs/dbraw/zinc/96/31/63/650963163.db2.gz KWOYZAQBKVQQKW-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774627 650963166 /nfs/dbraw/zinc/96/31/66/650963166.db2.gz KWOYZAQBKVQQKW-GFCCVEGCSA-N 1 1 282.315 2.735 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1Cl ZINC000133334423 646074288 /nfs/dbraw/zinc/07/42/88/646074288.db2.gz OPCPIBWKFYZUFN-LBPRGKRZSA-N 1 1 298.770 2.985 20 5 CFBDMO C[N@H+](CCc1ccccc1F)Cc1cccnc1[N+](=O)[O-] ZINC000886006088 646809925 /nfs/dbraw/zinc/80/99/25/646809925.db2.gz NEKIAMOBTWXCMJ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO C[N@@H+](CCc1ccccc1F)Cc1cccnc1[N+](=O)[O-] ZINC000886006088 646809929 /nfs/dbraw/zinc/80/99/29/646809929.db2.gz NEKIAMOBTWXCMJ-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO COc1cccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000886112492 646876862 /nfs/dbraw/zinc/87/68/62/646876862.db2.gz ZRHXFCALAAEDDH-UHFFFAOYSA-N 1 1 299.330 2.777 20 5 CFBDMO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1c(C)noc1C ZINC000886127096 646884354 /nfs/dbraw/zinc/88/43/54/646884354.db2.gz BIJVGYOMGRWKBQ-GFCCVEGCSA-N 1 1 290.323 2.836 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886555498 647045399 /nfs/dbraw/zinc/04/53/99/647045399.db2.gz UUWCIDHJRRKKMD-RTXFEEFZSA-N 1 1 278.377 2.951 20 5 CFBDMO Cc1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000886572048 647051805 /nfs/dbraw/zinc/05/18/05/647051805.db2.gz VANBLFIPCYQEDK-BETUJISGSA-N 1 1 278.377 2.698 20 5 CFBDMO CC[C@H](NCCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000925740253 648305620 /nfs/dbraw/zinc/30/56/20/648305620.db2.gz GUMRMOOPFBQZIZ-ZDUSSCGKSA-N 1 1 265.357 2.763 20 5 CFBDMO COC/C(C)=C\C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929165651 648993130 /nfs/dbraw/zinc/99/31/30/648993130.db2.gz UQYWHYUPNQOIOX-WQLSENKSSA-N 1 1 264.325 2.619 20 5 CFBDMO COC/C(C)=C\C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929165651 648993133 /nfs/dbraw/zinc/99/31/33/648993133.db2.gz UQYWHYUPNQOIOX-WQLSENKSSA-N 1 1 264.325 2.619 20 5 CFBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000929604987 649077028 /nfs/dbraw/zinc/07/70/28/649077028.db2.gz YVJDQNFISFKGRB-QGZVFWFLSA-N 1 1 282.343 2.911 20 5 CFBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000929604987 649077031 /nfs/dbraw/zinc/07/70/31/649077031.db2.gz YVJDQNFISFKGRB-QGZVFWFLSA-N 1 1 282.343 2.911 20 5 CFBDMO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987568 649160220 /nfs/dbraw/zinc/16/02/20/649160220.db2.gz KLZVZWKKVXELKI-AGIUHOORSA-N 1 1 290.367 2.522 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC1CC1)C1CC1 ZINC000930060521 649174936 /nfs/dbraw/zinc/17/49/36/649174936.db2.gz KJPJZYCQWXZTQA-UHFFFAOYSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC1CC1)C1CC1 ZINC000930060521 649174940 /nfs/dbraw/zinc/17/49/40/649174940.db2.gz KJPJZYCQWXZTQA-UHFFFAOYSA-N 1 1 276.336 2.738 20 5 CFBDMO CCc1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000930352671 649236614 /nfs/dbraw/zinc/23/66/14/649236614.db2.gz CKDDDLHLGVSSAK-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO CCOC(=O)/C=C\C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930555903 649273093 /nfs/dbraw/zinc/27/30/93/649273093.db2.gz XXNBWSFDAGYRQO-YFHOEESVSA-N 1 1 292.335 2.539 20 5 CFBDMO Cc1cccc(C)c1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000933767648 649720483 /nfs/dbraw/zinc/72/04/83/649720483.db2.gz VERDATMNRRMIRL-UHFFFAOYSA-N 1 1 288.351 2.540 20 5 CFBDMO C[C@@H]1CSCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934304761 649771272 /nfs/dbraw/zinc/77/12/72/649771272.db2.gz XTROJEDVPBQQCR-GFCCVEGCSA-N 1 1 296.392 2.801 20 5 CFBDMO Cc1cnc(CO[C@@H]2CCC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC001224182026 775120959 /nfs/dbraw/zinc/12/09/59/775120959.db2.gz DNHWBYCNXXXDSV-CYBMUJFWSA-N 1 1 293.367 2.608 20 5 CFBDMO C[N@H+]1CCCC[C@@H]1CO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703934 775254182 /nfs/dbraw/zinc/25/41/82/775254182.db2.gz VRLDKEVXCUPAKT-CVEARBPZSA-N 1 1 290.363 2.563 20 5 CFBDMO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926959 775283915 /nfs/dbraw/zinc/28/39/15/775283915.db2.gz PVBRRMPJKXCQHN-TZMCWYRMSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@@H+]1CCC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432793 775454034 /nfs/dbraw/zinc/45/40/34/775454034.db2.gz GFOBHNSWUHEPLI-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432793 775454041 /nfs/dbraw/zinc/45/40/41/775454041.db2.gz GFOBHNSWUHEPLI-SECBINFHSA-N 1 1 285.731 2.506 20 5 CFBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001225627630 775531067 /nfs/dbraw/zinc/53/10/67/775531067.db2.gz CYNUBEBZNZUYJD-OAHLLOKOSA-N 1 1 299.330 2.643 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(C)CO ZINC000694709179 775552890 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Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000273060286 192033440 /nfs/dbraw/zinc/03/34/40/192033440.db2.gz YIRAGPOENKZYLC-GFCCVEGCSA-N 1 1 275.352 2.966 20 5 CFBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000594959301 349529073 /nfs/dbraw/zinc/52/90/73/349529073.db2.gz BGHHOFIXAUPOMV-AWEZNQCLSA-N 1 1 277.368 2.557 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000594959301 349529074 /nfs/dbraw/zinc/52/90/74/349529074.db2.gz BGHHOFIXAUPOMV-AWEZNQCLSA-N 1 1 277.368 2.557 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000595006628 349546008 /nfs/dbraw/zinc/54/60/08/349546008.db2.gz MFQXNPXATLIICM-NSHDSACASA-N 1 1 295.383 2.594 20 5 CFBDMO CCOc1ccc(NCc2csc([N+](=O)[O-])c2)[nH+]c1C ZINC000595000777 349543839 /nfs/dbraw/zinc/54/38/39/349543839.db2.gz MYNIZHPKWGCJCS-UHFFFAOYSA-N 1 1 293.348 2.792 20 5 CFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595309421 349599148 /nfs/dbraw/zinc/59/91/48/349599148.db2.gz SGCJPMUOLITUME-LLVKDONJSA-N 1 1 265.313 2.656 20 5 CFBDMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331936 349603286 /nfs/dbraw/zinc/60/32/86/349603286.db2.gz ZGBYKAFLEXISPC-GHMZBOCLSA-N 1 1 299.396 2.997 20 5 CFBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331936 349603289 /nfs/dbraw/zinc/60/32/89/349603289.db2.gz ZGBYKAFLEXISPC-GHMZBOCLSA-N 1 1 299.396 2.997 20 5 CFBDMO Cc1noc(C[N@@H+]2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595330414 349603530 /nfs/dbraw/zinc/60/35/30/349603530.db2.gz AUZVGJKCTISCJJ-LLVKDONJSA-N 1 1 267.329 2.759 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1COC(C)(C)C1 ZINC000595288289 349591539 /nfs/dbraw/zinc/59/15/39/349591539.db2.gz NCCHMEAIRHORIJ-LBPRGKRZSA-N 1 1 264.325 2.594 20 5 CFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1COC(C)(C)C1 ZINC000595288289 349591542 /nfs/dbraw/zinc/59/15/42/349591542.db2.gz NCCHMEAIRHORIJ-LBPRGKRZSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595294382 349593997 /nfs/dbraw/zinc/59/39/97/349593997.db2.gz LXDPKBSDGLKEBX-JTQLQIEISA-N 1 1 253.302 2.512 20 5 CFBDMO CS[C@H]1CCCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595388821 349614378 /nfs/dbraw/zinc/61/43/78/349614378.db2.gz XJMQPPJIKXGZPW-JTQLQIEISA-N 1 1 285.369 2.609 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000595413273 349618881 /nfs/dbraw/zinc/61/88/81/349618881.db2.gz YWRYGWRZNLOBTM-NSHDSACASA-N 1 1 264.300 2.966 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595424129 349621715 /nfs/dbraw/zinc/62/17/15/349621715.db2.gz FPSRMTBWDYCLIJ-DLOVCJGASA-N 1 1 279.340 2.902 20 5 CFBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457165 349632803 /nfs/dbraw/zinc/63/28/03/349632803.db2.gz ATHHAOMPBCKZMX-SUNKGSAMSA-N 1 1 296.342 2.715 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595520838 349650222 /nfs/dbraw/zinc/65/02/22/349650222.db2.gz ODTJUWHZEVJBMC-CYBMUJFWSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1noc(C[N@H+]2[C@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000595521311 349650391 /nfs/dbraw/zinc/65/03/91/349650391.db2.gz APKAHDUHZZMBIA-MRVPVSSYSA-N 1 1 253.302 2.654 20 5 CFBDMO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595504671 349644115 /nfs/dbraw/zinc/64/41/15/349644115.db2.gz GHTFDKPETIOBDZ-MNOVXSKESA-N 1 1 279.340 2.902 20 5 CFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000595545877 349656519 /nfs/dbraw/zinc/65/65/19/349656519.db2.gz KVJOQZWMBUDWBG-LBPRGKRZSA-N 1 1 296.342 2.718 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595593751 349668145 /nfs/dbraw/zinc/66/81/45/349668145.db2.gz UMMMGTVDZKHKIW-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595593485 349668160 /nfs/dbraw/zinc/66/81/60/349668160.db2.gz QKYADLWNXUUDCW-GFCCVEGCSA-N 1 1 293.367 2.962 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595565125 349661585 /nfs/dbraw/zinc/66/15/85/349661585.db2.gz BKOFHQCHWIHEPE-WFASDCNBSA-N 1 1 276.336 2.848 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679745 349697937 /nfs/dbraw/zinc/69/79/37/349697937.db2.gz XNNGAZZDUZFDKU-ABAIWWIYSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1O ZINC000595737445 349720779 /nfs/dbraw/zinc/72/07/79/349720779.db2.gz BXGHFFBRLPRFGZ-UWVGGRQHSA-N 1 1 298.770 2.697 20 5 CFBDMO Cc1cc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596110145 349796478 /nfs/dbraw/zinc/79/64/78/349796478.db2.gz MMOKOZOWMLHNSQ-UHFFFAOYSA-N 1 1 257.359 2.717 20 5 CFBDMO Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596110118 349796647 /nfs/dbraw/zinc/79/66/47/349796647.db2.gz JBPPZCLOABGDGE-MRVPVSSYSA-N 1 1 269.370 2.859 20 5 CFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141687 349806272 /nfs/dbraw/zinc/80/62/72/349806272.db2.gz JGACYMCAKLZVJY-NSHDSACASA-N 1 1 283.397 2.743 20 5 CFBDMO O=[N+]([O-])c1ccc(Cn2c[nH+]c3c2CCCC3)c(F)c1 ZINC000295001268 199294316 /nfs/dbraw/zinc/29/43/16/199294316.db2.gz DCWNSMNQQQNRDP-UHFFFAOYSA-N 1 1 275.283 2.858 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])s1 ZINC000596239079 349836528 /nfs/dbraw/zinc/83/65/28/349836528.db2.gz WUBATWGUHXLESS-MRVPVSSYSA-N 1 1 278.337 2.657 20 5 CFBDMO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])s1 ZINC000596239079 349836534 /nfs/dbraw/zinc/83/65/34/349836534.db2.gz WUBATWGUHXLESS-MRVPVSSYSA-N 1 1 278.337 2.657 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596309350 349858945 /nfs/dbraw/zinc/85/89/45/349858945.db2.gz ZHQYGHLRLZWJCP-SECBINFHSA-N 1 1 296.346 2.601 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596307812 349858986 /nfs/dbraw/zinc/85/89/86/349858986.db2.gz PFSKXKCPPYJWBN-LLVKDONJSA-N 1 1 278.356 2.522 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000596309281 349859248 /nfs/dbraw/zinc/85/92/48/349859248.db2.gz XMCYOFKPZOTIEM-LBPRGKRZSA-N 1 1 292.383 2.891 20 5 CFBDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596307348 349857788 /nfs/dbraw/zinc/85/77/88/349857788.db2.gz KXEVFMHYCFRDFQ-NSHDSACASA-N 1 1 278.356 2.583 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596337629 349868923 /nfs/dbraw/zinc/86/89/23/349868923.db2.gz YWSOHFJISJGHHV-GFCCVEGCSA-N 1 1 292.383 2.891 20 5 CFBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000413450794 530054988 /nfs/dbraw/zinc/05/49/88/530054988.db2.gz ZBQXIWSOPZIGJB-LBPRGKRZSA-N 1 1 263.341 2.739 20 5 CFBDMO Cc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000048329762 346472059 /nfs/dbraw/zinc/47/20/59/346472059.db2.gz BPNLGNWFSUEXOL-UHFFFAOYSA-N 1 1 271.320 2.896 20 5 CFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048400659 346473469 /nfs/dbraw/zinc/47/34/69/346473469.db2.gz MGWVNNKQUSXYON-CQSZACIVSA-N 1 1 292.335 2.512 20 5 CFBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000048999596 346477853 /nfs/dbraw/zinc/47/78/53/346477853.db2.gz LGJHUYSWVOHJRH-PHIMTYICSA-N 1 1 299.396 2.568 20 5 CFBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000048999596 346477856 /nfs/dbraw/zinc/47/78/56/346477856.db2.gz LGJHUYSWVOHJRH-PHIMTYICSA-N 1 1 299.396 2.568 20 5 CFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000056494899 346609248 /nfs/dbraw/zinc/60/92/48/346609248.db2.gz HPXGJMIBYXJNMF-SNVBAGLBSA-N 1 1 270.354 2.515 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809064 346780887 /nfs/dbraw/zinc/78/08/87/346780887.db2.gz IFFLETLHZZJMHS-ZDUSSCGKSA-N 1 1 292.383 2.914 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065962576 346745100 /nfs/dbraw/zinc/74/51/00/346745100.db2.gz PZGRUEHDDUTYMS-UHFFFAOYSA-N 1 1 280.324 2.549 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000075893437 347106731 /nfs/dbraw/zinc/10/67/31/347106731.db2.gz JPRHLHQUUWILMC-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000078455072 347253469 /nfs/dbraw/zinc/25/34/69/347253469.db2.gz NTYXHCQWPYBCNF-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO Cc1ccnc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000078455472 347253557 /nfs/dbraw/zinc/25/35/57/347253557.db2.gz SFDXYZHJCLNWCM-ZDUSSCGKSA-N 1 1 292.383 2.609 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc1 ZINC000078526469 347259876 /nfs/dbraw/zinc/25/98/76/347259876.db2.gz JDBMKNJMABHIFN-ZDUSSCGKSA-N 1 1 290.367 2.666 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605453 347368553 /nfs/dbraw/zinc/36/85/53/347368553.db2.gz REONFIBQIWJMHQ-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000081521488 347424191 /nfs/dbraw/zinc/42/41/91/347424191.db2.gz IMJZJPUPRKLAJF-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170419 347449395 /nfs/dbraw/zinc/44/93/95/347449395.db2.gz RSIQKAFDZIEEBC-SECBINFHSA-N 1 1 263.297 2.966 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656998 347637687 /nfs/dbraw/zinc/63/76/87/347637687.db2.gz LYIJZQHYKFYEJH-TZMCWYRMSA-N 1 1 277.368 2.822 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000093414588 347673034 /nfs/dbraw/zinc/67/30/34/347673034.db2.gz KQOXHEMUKNDTBM-UHFFFAOYSA-N 1 1 280.368 2.921 20 5 CFBDMO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000314874359 348427847 /nfs/dbraw/zinc/42/78/47/348427847.db2.gz KVBADCCVPKDYGK-LLVKDONJSA-N 1 1 293.342 2.939 20 5 CFBDMO Cc1c(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382714 348591099 /nfs/dbraw/zinc/59/10/99/348591099.db2.gz NCMZXYMDCYCQBX-WFASDCNBSA-N 1 1 291.395 2.853 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000589198185 348818805 /nfs/dbraw/zinc/81/88/05/348818805.db2.gz PVMJKHZYRUCYKH-LJEUOOAZSA-N 1 1 290.363 2.701 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000589198184 348818949 /nfs/dbraw/zinc/81/89/49/348818949.db2.gz PVMJKHZYRUCYKH-IYCSXQJISA-N 1 1 290.363 2.701 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000589501683 348836012 /nfs/dbraw/zinc/83/60/12/348836012.db2.gz AWKFDORQDZXAHN-WDEREUQCSA-N 1 1 292.335 2.612 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC=C(C)C2)c1 ZINC000589515871 348837312 /nfs/dbraw/zinc/83/73/12/348837312.db2.gz PNLHCDIMOBOKQE-UHFFFAOYSA-N 1 1 290.319 2.533 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(C)C2)c1 ZINC000589515871 348837313 /nfs/dbraw/zinc/83/73/13/348837313.db2.gz PNLHCDIMOBOKQE-UHFFFAOYSA-N 1 1 290.319 2.533 20 5 CFBDMO CC[N@@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000590083851 348872988 /nfs/dbraw/zinc/87/29/88/348872988.db2.gz XQBATKJGEOOFMY-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO CC[N@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000590083851 348872991 /nfs/dbraw/zinc/87/29/91/348872991.db2.gz XQBATKJGEOOFMY-JTQLQIEISA-N 1 1 283.759 2.779 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000590594149 348912181 /nfs/dbraw/zinc/91/21/81/348912181.db2.gz BESRAFOQJYBLKO-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C(F)F)C1 ZINC000590968869 348974638 /nfs/dbraw/zinc/97/46/38/348974638.db2.gz GSAVQZKKKGNGLA-UHFFFAOYSA-N 1 1 256.252 2.600 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591275636 349006147 /nfs/dbraw/zinc/00/61/47/349006147.db2.gz NSLQQEMVQUVTBG-DZGCQCFKSA-N 1 1 291.395 2.648 20 5 CFBDMO CC[N@@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000592197407 349097712 /nfs/dbraw/zinc/09/77/12/349097712.db2.gz BZTFBQXDBFARQN-UHFFFAOYSA-N 1 1 284.381 2.788 20 5 CFBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCSC ZINC000592204868 349100829 /nfs/dbraw/zinc/10/08/29/349100829.db2.gz VKTXNGGUMBZKTR-UHFFFAOYSA-N 1 1 284.381 2.659 20 5 CFBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592520357 349131797 /nfs/dbraw/zinc/13/17/97/349131797.db2.gz LJSNDRMABSHSRH-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592520357 349131799 /nfs/dbraw/zinc/13/17/99/349131799.db2.gz LJSNDRMABSHSRH-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592520357 349131802 /nfs/dbraw/zinc/13/18/02/349131802.db2.gz LJSNDRMABSHSRH-OAHLLOKOSA-N 1 1 291.395 2.819 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cs1 ZINC000593115413 349212183 /nfs/dbraw/zinc/21/21/83/349212183.db2.gz JESWCSWHVKINEL-JTQLQIEISA-N 1 1 274.292 2.887 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cs1 ZINC000593115413 349212186 /nfs/dbraw/zinc/21/21/86/349212186.db2.gz JESWCSWHVKINEL-JTQLQIEISA-N 1 1 274.292 2.887 20 5 CFBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593056810 349196541 /nfs/dbraw/zinc/19/65/41/349196541.db2.gz PRRFMOAOBMNFSI-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593056810 349196543 /nfs/dbraw/zinc/19/65/43/349196543.db2.gz PRRFMOAOBMNFSI-CYBMUJFWSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593057165 349197374 /nfs/dbraw/zinc/19/73/74/349197374.db2.gz CLGREBUNLDHIIN-ZIAGYGMSSA-N 1 1 278.352 2.984 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593057165 349197375 /nfs/dbraw/zinc/19/73/75/349197375.db2.gz CLGREBUNLDHIIN-ZIAGYGMSSA-N 1 1 278.352 2.984 20 5 CFBDMO C[N@@H+](CCNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000593456869 349274817 /nfs/dbraw/zinc/27/48/17/349274817.db2.gz HXINPJUBHAUXNU-UHFFFAOYSA-N 1 1 286.335 2.649 20 5 CFBDMO CC(C)C[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000593646948 349304289 /nfs/dbraw/zinc/30/42/89/349304289.db2.gz UPOFGKWNKLHIKN-UHFFFAOYSA-N 1 1 279.384 2.662 20 5 CFBDMO C[NH+](C)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594500347 349432405 /nfs/dbraw/zinc/43/24/05/349432405.db2.gz PDPNNVWXZMFSQX-AWEZNQCLSA-N 1 1 289.379 2.656 20 5 CFBDMO C[C@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597249656 350072597 /nfs/dbraw/zinc/07/25/97/350072597.db2.gz XKOKYXVTAJARMP-BLLLJJGKSA-N 1 1 286.331 2.807 20 5 CFBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000597234837 350066397 /nfs/dbraw/zinc/06/63/97/350066397.db2.gz BVTCFAXWPLZEJP-CVYKPKQLSA-N 1 1 290.363 2.558 20 5 CFBDMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104673777 186012348 /nfs/dbraw/zinc/01/23/48/186012348.db2.gz ABZHLYLUGNRTNT-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C1CC1 ZINC000105488300 186061104 /nfs/dbraw/zinc/06/11/04/186061104.db2.gz BXKPZKKDMAUWBD-SNVBAGLBSA-N 1 1 297.786 2.821 20 5 CFBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000598647081 350301733 /nfs/dbraw/zinc/30/17/33/350301733.db2.gz KGTKCDDKDLLPKS-CYBMUJFWSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959914 180292462 /nfs/dbraw/zinc/29/24/62/180292462.db2.gz QTEYNMBNUPVINV-MBNYWOFBSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959914 180292464 /nfs/dbraw/zinc/29/24/64/180292464.db2.gz QTEYNMBNUPVINV-MBNYWOFBSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+]1CCCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599141004 350383696 /nfs/dbraw/zinc/38/36/96/350383696.db2.gz XNXNNPUXFPQWNR-NSHDSACASA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353051 /nfs/dbraw/zinc/35/30/51/180353051.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 1 1 291.395 2.677 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000106303384 186106659 /nfs/dbraw/zinc/10/66/59/186106659.db2.gz GPTYGUIGLPQEJI-UHFFFAOYSA-N 1 1 284.315 2.989 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599645866 350471039 /nfs/dbraw/zinc/47/10/39/350471039.db2.gz GTGMAIUGGZYJAA-UHFFFAOYSA-N 1 1 298.342 2.901 20 5 CFBDMO CC[C@@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000600168642 350528370 /nfs/dbraw/zinc/52/83/70/350528370.db2.gz LLMSHZVEXBSPCX-FWPCIQOSSA-N 1 1 278.352 2.701 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1CO ZINC000107904839 186197784 /nfs/dbraw/zinc/19/77/84/186197784.db2.gz KEOYTSCNYDLSLV-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1CO ZINC000107904839 186197786 /nfs/dbraw/zinc/19/77/86/186197786.db2.gz KEOYTSCNYDLSLV-SNVBAGLBSA-N 1 1 284.743 2.595 20 5 CFBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601098627 350667581 /nfs/dbraw/zinc/66/75/81/350667581.db2.gz BHBVVOVBHHCSMJ-PHIMTYICSA-N 1 1 287.319 2.757 20 5 CFBDMO COc1cncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000601101691 350668169 /nfs/dbraw/zinc/66/81/69/350668169.db2.gz VTOYSFOFPKAHST-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCCCO3)c2c1 ZINC000601108457 350670098 /nfs/dbraw/zinc/67/00/98/350670098.db2.gz KNCQMKYMVJQPRS-LBPRGKRZSA-N 1 1 287.319 2.546 20 5 CFBDMO C[C@](CO)([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000601149534 350681937 /nfs/dbraw/zinc/68/19/37/350681937.db2.gz NQOJDKMMZCOBJU-CQSZACIVSA-N 1 1 292.360 2.654 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCOC(F)F)c2c1 ZINC000601162780 350685644 /nfs/dbraw/zinc/68/56/44/350685644.db2.gz XMWGTUOQOGNMGB-UHFFFAOYSA-N 1 1 297.261 2.606 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC000601203061 350696263 /nfs/dbraw/zinc/69/62/63/350696263.db2.gz MWCUBVDDJUFBLJ-BDJLRTHQSA-N 1 1 299.330 2.544 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602029239 350836005 /nfs/dbraw/zinc/83/60/05/350836005.db2.gz FXGUXHQKHUEHJL-ZDUSSCGKSA-N 1 1 291.351 2.634 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602029239 350836008 /nfs/dbraw/zinc/83/60/08/350836008.db2.gz FXGUXHQKHUEHJL-ZDUSSCGKSA-N 1 1 291.351 2.634 20 5 CFBDMO O=c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC000602438025 350882886 /nfs/dbraw/zinc/88/28/86/350882886.db2.gz AGQDQGSGQIXPPH-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO O=c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC000602438025 350882887 /nfs/dbraw/zinc/88/28/87/350882887.db2.gz AGQDQGSGQIXPPH-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO Cn1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])n1 ZINC000602469778 350894108 /nfs/dbraw/zinc/89/41/08/350894108.db2.gz DTQAMABDRNJOSC-HNNXBMFYSA-N 1 1 290.367 2.651 20 5 CFBDMO CC1(C)SC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651891 350962158 /nfs/dbraw/zinc/96/21/58/350962158.db2.gz HIWXJXVKUZVKJA-LLVKDONJSA-N 1 1 293.348 2.720 20 5 CFBDMO C[N@@H+](CCC[C@@H]1CCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000602659743 350964734 /nfs/dbraw/zinc/96/47/34/350964734.db2.gz WDIVHEYLRXCWDV-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(CC4CC4)C3)nc2c1 ZINC000602713486 350995688 /nfs/dbraw/zinc/99/56/88/350995688.db2.gz BZSWOWJNUMEOKU-UHFFFAOYSA-N 1 1 287.319 2.968 20 5 CFBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602739935 351009964 /nfs/dbraw/zinc/00/99/64/351009964.db2.gz NHNVITSXJVNHLY-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO O=c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc[nH]1 ZINC000602781820 351023732 /nfs/dbraw/zinc/02/37/32/351023732.db2.gz FTOYPYQYOBQGMB-UHFFFAOYSA-N 1 1 299.330 2.860 20 5 CFBDMO Cn1cc(C[N@H+]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602798377 351029430 /nfs/dbraw/zinc/02/94/30/351029430.db2.gz ZCFKSYHOSDFYAW-UHFFFAOYSA-N 1 1 278.356 2.627 20 5 CFBDMO CC[C@@]1(O)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982206 351083935 /nfs/dbraw/zinc/08/39/35/351083935.db2.gz OYFQNFDCSJPVJW-IUODEOHRSA-N 1 1 278.352 2.893 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997049 351088036 /nfs/dbraw/zinc/08/80/36/351088036.db2.gz BESQLPADJXSFJO-IMJJTQAJSA-N 1 1 290.363 2.720 20 5 CFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180316 351648452 /nfs/dbraw/zinc/64/84/52/351648452.db2.gz WSNMLZKXWWTNGO-SNVBAGLBSA-N 1 1 286.278 2.561 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611180171 351648661 /nfs/dbraw/zinc/64/86/61/351648661.db2.gz SYGZSBYPGQSRSD-NSHDSACASA-N 1 1 270.279 2.990 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611259430 351660155 /nfs/dbraw/zinc/66/01/55/351660155.db2.gz CGZXTHKLHKSGLV-NSHDSACASA-N 1 1 294.351 2.844 20 5 CFBDMO Cc1c(C[N@@H+]2CCCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610990752 351628481 /nfs/dbraw/zinc/62/84/81/351628481.db2.gz MAOQCVQAPAYZJF-LLVKDONJSA-N 1 1 264.325 2.514 20 5 CFBDMO CC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611271131 351661179 /nfs/dbraw/zinc/66/11/79/351661179.db2.gz JCQKSBFIIQNGPG-IQCBXXCUSA-N 1 1 289.379 2.634 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)F)C2)ccc1[N+](=O)[O-] ZINC000611516922 351702589 /nfs/dbraw/zinc/70/25/89/351702589.db2.gz CHWBFHROQVXNMM-SNVBAGLBSA-N 1 1 286.278 2.690 20 5 CFBDMO C[C@@H]1COCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611272349 351662779 /nfs/dbraw/zinc/66/27/79/351662779.db2.gz AXWTVVAZSSIVHA-LLPBQKLSSA-N 1 1 276.336 2.719 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291758772 198082737 /nfs/dbraw/zinc/08/27/37/198082737.db2.gz LADDOHYJJPXBLO-IUODEOHRSA-N 1 1 286.335 2.799 20 5 CFBDMO C[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122992696 187064716 /nfs/dbraw/zinc/06/47/16/187064716.db2.gz LUPZLJAYIMEOPY-VHSXEESVSA-N 1 1 279.315 2.771 20 5 CFBDMO Cc1c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123629733 187101812 /nfs/dbraw/zinc/10/18/12/187101812.db2.gz QDTSLRRIKLYKLY-IUODEOHRSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123629733 187101813 /nfs/dbraw/zinc/10/18/13/187101813.db2.gz QDTSLRRIKLYKLY-IUODEOHRSA-N 1 1 291.395 2.818 20 5 CFBDMO Cc1c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123629733 187101814 /nfs/dbraw/zinc/10/18/14/187101814.db2.gz QDTSLRRIKLYKLY-IUODEOHRSA-N 1 1 291.395 2.818 20 5 CFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532705 191196368 /nfs/dbraw/zinc/19/63/68/191196368.db2.gz MNKNKEATFJUTRV-LNSITVRQSA-N 1 1 278.352 2.891 20 5 CFBDMO C[C@@]1(O)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619432076 353022390 /nfs/dbraw/zinc/02/23/90/353022390.db2.gz NZTMTFFDGKOJHM-HQQUCIOCSA-N 1 1 290.363 2.845 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCOCC3)C2)c(F)c1 ZINC000619726618 353060681 /nfs/dbraw/zinc/06/06/81/353060681.db2.gz RLZWGXSJNHBHMQ-UHFFFAOYSA-N 1 1 294.326 2.592 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000157536273 188324211 /nfs/dbraw/zinc/32/42/11/188324211.db2.gz GRMXWWYLEJRYII-OAHLLOKOSA-N 1 1 286.335 2.628 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000368389741 283078792 /nfs/dbraw/zinc/07/87/92/283078792.db2.gz YLRBLHJQTJAJAK-ZWNOBZJWSA-N 1 1 295.770 2.779 20 5 CFBDMO CCn1cc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000294788969 199184054 /nfs/dbraw/zinc/18/40/54/199184054.db2.gz HLBDDGPZHAWFNF-VIFPVBQESA-N 1 1 280.353 2.724 20 5 CFBDMO COc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296836246 200010924 /nfs/dbraw/zinc/01/09/24/200010924.db2.gz WXEPRIZPORWOSW-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC[NH2+]CC1 ZINC000178956523 189157464 /nfs/dbraw/zinc/15/74/64/189157464.db2.gz LJUNPTPFUYMSIE-UHFFFAOYSA-N 1 1 297.786 2.680 20 5 CFBDMO Cc1c([C@@H](C)[NH2+][C@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000423259001 238313750 /nfs/dbraw/zinc/31/37/50/238313750.db2.gz CVVVRWARNFLJRY-OLZOCXBDSA-N 1 1 279.384 2.927 20 5 CFBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000423260225 238318591 /nfs/dbraw/zinc/31/85/91/238318591.db2.gz GZHRGHNTUMMYEX-TZMCWYRMSA-N 1 1 279.384 2.927 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301661839 201122653 /nfs/dbraw/zinc/12/26/53/201122653.db2.gz MXAJCEXQBBLMBN-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183279549 189353399 /nfs/dbraw/zinc/35/33/99/189353399.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 1 1 291.395 2.677 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275483046 193054978 /nfs/dbraw/zinc/05/49/78/193054978.db2.gz OMNVHCKGWVTQNO-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443793708 241090477 /nfs/dbraw/zinc/09/04/77/241090477.db2.gz YIRACXHQPBWVOH-RBOXIYTFSA-N 1 1 292.379 2.885 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000446086326 241278022 /nfs/dbraw/zinc/27/80/22/241278022.db2.gz YWFGCVUKEQLHSP-FRRDWIJNSA-N 1 1 278.352 2.635 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449679245 242103843 /nfs/dbraw/zinc/10/38/43/242103843.db2.gz HOJBGQXRPSIQFN-MRXNPFEDSA-N 1 1 290.363 2.906 20 5 CFBDMO COc1cccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449751113 242134442 /nfs/dbraw/zinc/13/44/42/242134442.db2.gz XNDJCADDPVDUSA-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449758379 242141778 /nfs/dbraw/zinc/14/17/78/242141778.db2.gz GKQMERQFDCMNTE-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO COC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449758379 242141779 /nfs/dbraw/zinc/14/17/79/242141779.db2.gz GKQMERQFDCMNTE-NSHDSACASA-N 1 1 270.354 2.657 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452124456 243054864 /nfs/dbraw/zinc/05/48/64/243054864.db2.gz JAXMEKYUINVXCW-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO COCC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330638551 203067987 /nfs/dbraw/zinc/06/79/87/203067987.db2.gz CYKDYFZQOKAXJT-UHFFFAOYSA-N 1 1 284.381 2.905 20 5 CFBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851235 203310830 /nfs/dbraw/zinc/31/08/30/203310830.db2.gz NOGMSIMIRRSEMC-PWSUYJOCSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851231 203310880 /nfs/dbraw/zinc/31/08/80/203310880.db2.gz NOGMSIMIRRSEMC-CMPLNLGQSA-N 1 1 284.381 2.639 20 5 CFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863674 203328463 /nfs/dbraw/zinc/32/84/63/203328463.db2.gz TXLOMKJWRBFWGQ-DGCLKSJQSA-N 1 1 296.342 2.717 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000003565456 371809847 /nfs/dbraw/zinc/80/98/47/371809847.db2.gz YYILLUDXOMWJBE-VXGBXAGGSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000041663609 372857659 /nfs/dbraw/zinc/85/76/59/372857659.db2.gz CAPNHIDXJZUNNV-GFCCVEGCSA-N 1 1 263.341 2.737 20 5 CFBDMO COC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042518197 372931855 /nfs/dbraw/zinc/93/18/55/372931855.db2.gz RXVSFTCNLCHURA-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO COC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042518197 372931868 /nfs/dbraw/zinc/93/18/68/372931868.db2.gz RXVSFTCNLCHURA-SECBINFHSA-N 1 1 272.732 2.715 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000048372035 373172414 /nfs/dbraw/zinc/17/24/14/373172414.db2.gz MUPLBBYEQLSVHY-GFCCVEGCSA-N 1 1 278.356 2.666 20 5 CFBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000049067310 373260004 /nfs/dbraw/zinc/26/00/04/373260004.db2.gz PCSOSVMQCFNMBK-UHFFFAOYSA-N 1 1 297.742 2.671 20 5 CFBDMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553818 373310265 /nfs/dbraw/zinc/31/02/65/373310265.db2.gz ZFKNFRKANAZMAK-RYUDHWBXSA-N 1 1 265.357 2.586 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC000051896633 373417479 /nfs/dbraw/zinc/41/74/79/373417479.db2.gz 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296.367 2.585 20 5 CFBDMO C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076117855 374534615 /nfs/dbraw/zinc/53/46/15/374534615.db2.gz FKXKCNDQOGCODP-SNVBAGLBSA-N 1 1 288.307 2.629 20 5 CFBDMO C[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795056 375029775 /nfs/dbraw/zinc/02/97/75/375029775.db2.gz HLNNMJNZIGMOHN-KOLCDFICSA-N 1 1 267.304 2.629 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000092455829 375111361 /nfs/dbraw/zinc/11/13/61/375111361.db2.gz JXRBMIOWCUWPQZ-ZDUSSCGKSA-N 1 1 278.352 2.675 20 5 CFBDMO CCOC[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093838737 375318950 /nfs/dbraw/zinc/31/89/50/375318950.db2.gz VWVAWWMWPGDJPV-DYLGSBMWSA-N 1 1 290.363 2.966 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000102409650 375672479 /nfs/dbraw/zinc/67/24/79/375672479.db2.gz CYGWZTMOCYUNGX-HNNXBMFYSA-N 1 1 286.335 2.628 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000102409652 375672668 /nfs/dbraw/zinc/67/26/68/375672668.db2.gz CYGWZTMOCYUNGX-OAHLLOKOSA-N 1 1 286.335 2.628 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000107830656 375810253 /nfs/dbraw/zinc/81/02/53/375810253.db2.gz DYTWDWGQAFJCSD-ZIAGYGMSSA-N 1 1 275.352 2.942 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1c(C)cccc1[N+](=O)[O-] ZINC000112208899 375890797 /nfs/dbraw/zinc/89/07/97/375890797.db2.gz XMHFNQPIXABPOR-LBPRGKRZSA-N 1 1 263.341 2.799 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000119014182 376337282 /nfs/dbraw/zinc/33/72/82/376337282.db2.gz DHYWARGWHGLQFK-UHFFFAOYSA-N 1 1 271.320 2.664 20 5 CFBDMO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493378 377342300 /nfs/dbraw/zinc/34/23/00/377342300.db2.gz PROVUIDREKXPSV-WFASDCNBSA-N 1 1 279.384 2.961 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)C(C)(C)C ZINC000134435030 378014293 /nfs/dbraw/zinc/01/42/93/378014293.db2.gz UKIIYOAWAPNARU-CYBMUJFWSA-N 1 1 284.331 2.573 20 5 CFBDMO CCOc1ccc([C@@H](C)NCC[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000153266560 378482105 /nfs/dbraw/zinc/48/21/05/378482105.db2.gz FKUGOMFEMLRZMW-GFCCVEGCSA-N 1 1 295.383 2.596 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461080 378561876 /nfs/dbraw/zinc/56/18/76/378561876.db2.gz WMWAXYXWRXTFBK-FZMZJTMJSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461080 378561883 /nfs/dbraw/zinc/56/18/83/378561883.db2.gz WMWAXYXWRXTFBK-FZMZJTMJSA-N 1 1 278.352 2.903 20 5 CFBDMO CC1(C)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000330464820 378564262 /nfs/dbraw/zinc/56/42/62/378564262.db2.gz VXRXCOKVWTULIL-UHFFFAOYSA-N 1 1 291.351 2.655 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000331122039 378637225 /nfs/dbraw/zinc/63/72/25/378637225.db2.gz PCTPYDFQRPFZLO-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000331122039 378637233 /nfs/dbraw/zinc/63/72/33/378637233.db2.gz PCTPYDFQRPFZLO-JQWIXIFHSA-N 1 1 291.351 2.572 20 5 CFBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285157 378663253 /nfs/dbraw/zinc/66/32/53/378663253.db2.gz GEYJEYKXTFPWLJ-NEPJUHHUSA-N 1 1 280.372 2.729 20 5 CFBDMO CCC[C@H](N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730434 379095590 /nfs/dbraw/zinc/09/55/90/379095590.db2.gz YCZZKACNIIIGEV-WFASDCNBSA-N 1 1 279.384 2.976 20 5 CFBDMO C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000278822611 194171440 /nfs/dbraw/zinc/17/14/40/194171440.db2.gz SOQAFBYIDRLUKZ-IAQYHMDHSA-N 1 1 277.368 2.512 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171690646 379373072 /nfs/dbraw/zinc/37/30/72/379373072.db2.gz GIMSBBMWTRZAOL-LLVKDONJSA-N 1 1 266.366 2.575 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171951790 379451350 /nfs/dbraw/zinc/45/13/50/379451350.db2.gz CADQYSHSJIYTRT-NEPJUHHUSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172963060 379676521 /nfs/dbraw/zinc/67/65/21/379676521.db2.gz UOHVGEWJQUOCAK-BETUJISGSA-N 1 1 260.337 2.991 20 5 CFBDMO CC(C)(C)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463584 379740348 /nfs/dbraw/zinc/74/03/48/379740348.db2.gz FQJLPWMZZIPFGQ-GFCCVEGCSA-N 1 1 292.383 2.912 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000175166237 380012011 /nfs/dbraw/zinc/01/20/11/380012011.db2.gz BWAALWVAJWJGCG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000175166237 380012015 /nfs/dbraw/zinc/01/20/15/380012015.db2.gz BWAALWVAJWJGCG-LBPRGKRZSA-N 1 1 294.351 2.604 20 5 CFBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270305 380204621 /nfs/dbraw/zinc/20/46/21/380204621.db2.gz LRRWEYFQFYQDDQ-CHWSQXEVSA-N 1 1 280.372 2.692 20 5 CFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000176193752 380191410 /nfs/dbraw/zinc/19/14/10/380191410.db2.gz FMMSTDVUEGGKGV-UHFFFAOYSA-N 1 1 294.742 2.577 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CCCO)C1 ZINC000452128384 383747591 /nfs/dbraw/zinc/74/75/91/383747591.db2.gz MBPBBYBJIIFOQR-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO CCC[C@@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180344627 380646279 /nfs/dbraw/zinc/64/62/79/380646279.db2.gz BACGSCCETAHBIW-OLZOCXBDSA-N 1 1 292.383 2.912 20 5 CFBDMO CCOc1cc(C[N@@H+](CCO)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000287403851 380823817 /nfs/dbraw/zinc/82/38/17/380823817.db2.gz OCTNOAGFBMIFTG-GFCCVEGCSA-N 1 1 296.367 2.586 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353769931 380840260 /nfs/dbraw/zinc/84/02/60/380840260.db2.gz SRQRTQXOCBYQNK-ZFWWWQNUSA-N 1 1 291.395 2.899 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295429881 380848624 /nfs/dbraw/zinc/84/86/24/380848624.db2.gz JGVSGBGOQAUIHA-OAHLLOKOSA-N 1 1 292.379 2.620 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368011792 380883059 /nfs/dbraw/zinc/88/30/59/380883059.db2.gz JPZCMPZLODQONR-BXUZGUMPSA-N 1 1 276.336 2.978 20 5 CFBDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000341347143 380954827 /nfs/dbraw/zinc/95/48/27/380954827.db2.gz KAFDGBHFETZLMW-GFCCVEGCSA-N 1 1 288.351 2.796 20 5 CFBDMO CC[C@H]([NH2+]Cc1ncc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000341371157 380971950 /nfs/dbraw/zinc/97/19/50/380971950.db2.gz ZPFGHANPECZARX-AWEZNQCLSA-N 1 1 288.351 2.878 20 5 CFBDMO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182124530 380995949 /nfs/dbraw/zinc/99/59/49/380995949.db2.gz ZRGBTKZONRXRSB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182124530 380995952 /nfs/dbraw/zinc/99/59/52/380995952.db2.gz ZRGBTKZONRXRSB-GFCCVEGCSA-N 1 1 284.743 2.859 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000182132478 380999056 /nfs/dbraw/zinc/99/90/56/380999056.db2.gz FHCYRRVNFMQXQP-UHFFFAOYSA-N 1 1 266.341 2.579 20 5 CFBDMO COC[C@@H]1CC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000354056726 381049098 /nfs/dbraw/zinc/04/90/98/381049098.db2.gz MEIDVFYZCFEKMP-PINLSGDHSA-N 1 1 276.336 2.719 20 5 CFBDMO COC[C@H]1CC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000354056725 381049771 /nfs/dbraw/zinc/04/97/71/381049771.db2.gz MEIDVFYZCFEKMP-LDCOFTPGSA-N 1 1 276.336 2.719 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000368570754 381069590 /nfs/dbraw/zinc/06/95/90/381069590.db2.gz ZFLNAJPHVZEJQX-JTQLQIEISA-N 1 1 297.305 2.548 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411871168 381040344 /nfs/dbraw/zinc/04/03/44/381040344.db2.gz HFDUMFOAYWQMOK-MRXNPFEDSA-N 1 1 290.363 2.638 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCC1 ZINC000347365445 381101101 /nfs/dbraw/zinc/10/11/01/381101101.db2.gz CYMGAVNLJOCMJL-UKTHLTGXSA-N 1 1 290.363 2.845 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC[C@H](C)O ZINC000347383694 381112558 /nfs/dbraw/zinc/11/25/58/381112558.db2.gz YSZPGPNVAYWOBM-SRXBQZRASA-N 1 1 278.352 2.701 20 5 CFBDMO COCCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182695111 381140604 /nfs/dbraw/zinc/14/06/04/381140604.db2.gz LBWTWAIZFUFLBH-LBPRGKRZSA-N 1 1 266.341 2.933 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102443 381159590 /nfs/dbraw/zinc/15/95/90/381159590.db2.gz ZUIKBTPNYYASKX-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000412102443 381159606 /nfs/dbraw/zinc/15/96/06/381159606.db2.gz ZUIKBTPNYYASKX-QWRGUYRKSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295956856 381180300 /nfs/dbraw/zinc/18/03/00/381180300.db2.gz JDIZQVBHZLSUKY-YOGCLGLASA-N 1 1 291.351 2.641 20 5 CFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000290009424 381258997 /nfs/dbraw/zinc/25/89/97/381258997.db2.gz ZNHPUEVZILXIFM-GJZGRUSLSA-N 1 1 290.363 2.984 20 5 CFBDMO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000354459156 381284896 /nfs/dbraw/zinc/28/48/96/381284896.db2.gz YWIQJBZRQWVJOR-IRQMKAKQSA-N 1 1 289.379 2.632 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347707636 381308052 /nfs/dbraw/zinc/30/80/52/381308052.db2.gz QVONQDDYTFAXIT-BETUJISGSA-N 1 1 277.368 2.509 20 5 CFBDMO C[C@@H](O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000354736805 381428843 /nfs/dbraw/zinc/42/88/43/381428843.db2.gz RMXWQXPCLPBTAZ-GFCCVEGCSA-N 1 1 278.352 2.720 20 5 CFBDMO CC(C)c1ccc(C[NH+]2CC3(C2)CCOC3)cc1[N+](=O)[O-] ZINC000354767946 381443523 /nfs/dbraw/zinc/44/35/23/381443523.db2.gz XORFLLHAQICADA-UHFFFAOYSA-N 1 1 290.363 2.941 20 5 CFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000296566587 381452532 /nfs/dbraw/zinc/45/25/32/381452532.db2.gz QAODAYFVGVYMFY-AWEZNQCLSA-N 1 1 293.367 2.637 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342727316 381503547 /nfs/dbraw/zinc/50/35/47/381503547.db2.gz BWCHSHVGMMKEEW-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000370917674 381514361 /nfs/dbraw/zinc/51/43/61/381514361.db2.gz OLMRWXSDTWKIDD-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000370917674 381514367 /nfs/dbraw/zinc/51/43/67/381514367.db2.gz OLMRWXSDTWKIDD-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290796027 381553512 /nfs/dbraw/zinc/55/35/12/381553512.db2.gz OXASNNVTGHYDAU-ZYHUDNBSSA-N 1 1 291.351 2.641 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000290895662 381589466 /nfs/dbraw/zinc/58/94/66/381589466.db2.gz HGMXMGKKTKJUGG-SNVBAGLBSA-N 1 1 299.396 2.507 20 5 CFBDMO CC1(C)C[NH2+]CC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414968421 381666287 /nfs/dbraw/zinc/66/62/87/381666287.db2.gz IBBKUWWFAACTIC-KEDPEKRHSA-N 1 1 289.379 2.586 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCOC1 ZINC000348706461 381675623 /nfs/dbraw/zinc/67/56/23/381675623.db2.gz HRSDYLFHEHTGHI-AWEZNQCLSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000355235553 381694715 /nfs/dbraw/zinc/69/47/15/381694715.db2.gz JXGNZLFNTSEYBI-LSDHHAIUSA-N 1 1 290.363 2.843 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc[nH+]1 ZINC000343473706 381739189 /nfs/dbraw/zinc/73/91/89/381739189.db2.gz KZEMNCJMWZMRNE-UHFFFAOYSA-N 1 1 273.292 2.919 20 5 CFBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000360048067 381749435 /nfs/dbraw/zinc/74/94/35/381749435.db2.gz QFJBALLBPOAPMR-SNVBAGLBSA-N 1 1 290.298 2.666 20 5 CFBDMO CC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292336577 381800275 /nfs/dbraw/zinc/80/02/75/381800275.db2.gz BCSWVDAIBDDKSU-UHFFFAOYSA-N 1 1 281.331 2.574 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000299098710 381823372 /nfs/dbraw/zinc/82/33/72/381823372.db2.gz YWOOJWYQNZVPOY-GFCCVEGCSA-N 1 1 263.341 2.739 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000299080236 381817357 /nfs/dbraw/zinc/81/73/57/381817357.db2.gz HSRKZSXAHAIOAT-RYUDHWBXSA-N 1 1 278.356 2.522 20 5 CFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000299080233 381817475 /nfs/dbraw/zinc/81/74/75/381817475.db2.gz HSRKZSXAHAIOAT-NEPJUHHUSA-N 1 1 278.356 2.522 20 5 CFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[N@@H+](C)C1CC1 ZINC000349351540 381902947 /nfs/dbraw/zinc/90/29/47/381902947.db2.gz QKYKLAIUEDYFKO-ALCCZGGFSA-N 1 1 289.379 2.634 20 5 CFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292928625 381907392 /nfs/dbraw/zinc/90/73/92/381907392.db2.gz ZBMXRNLNUBEURS-OAHLLOKOSA-N 1 1 275.352 2.517 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349410409 381925881 /nfs/dbraw/zinc/92/58/81/381925881.db2.gz SYOCSQXPTUIRFS-MLGOLLRUSA-N 1 1 292.379 2.921 20 5 CFBDMO C[N@@H+]1CC=C(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293035900 381961041 /nfs/dbraw/zinc/96/10/41/381961041.db2.gz LJLINKRHUSTWAN-UHFFFAOYSA-N 1 1 281.743 2.922 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293056484 381970469 /nfs/dbraw/zinc/97/04/69/381970469.db2.gz IGLOBMLNDGSROB-HNNXBMFYSA-N 1 1 278.352 2.842 20 5 CFBDMO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186515665 381934145 /nfs/dbraw/zinc/93/41/45/381934145.db2.gz NWMAZZUEQMUZOW-SMDDNHRTSA-N 1 1 290.319 2.962 20 5 CFBDMO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186515646 381934257 /nfs/dbraw/zinc/93/42/57/381934257.db2.gz NWMAZZUEQMUZOW-RISCZKNCSA-N 1 1 290.319 2.962 20 5 CFBDMO CC(C)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000292992899 381939048 /nfs/dbraw/zinc/93/90/48/381939048.db2.gz CGIBWCSIJQKDOR-LBPRGKRZSA-N 1 1 284.381 2.903 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000292992899 381939053 /nfs/dbraw/zinc/93/90/53/381939053.db2.gz CGIBWCSIJQKDOR-LBPRGKRZSA-N 1 1 284.381 2.903 20 5 CFBDMO C[C@@H]1CCC[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301060301 382069171 /nfs/dbraw/zinc/06/91/71/382069171.db2.gz BQDKHRBIYZURFP-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C1 ZINC000299655735 382016851 /nfs/dbraw/zinc/01/68/51/382016851.db2.gz PECZHOMGKYALJF-LLVKDONJSA-N 1 1 291.351 2.574 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C1 ZINC000299655738 382017310 /nfs/dbraw/zinc/01/73/10/382017310.db2.gz PECZHOMGKYALJF-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO CC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186886632 382038319 /nfs/dbraw/zinc/03/83/19/382038319.db2.gz AYEFVUGANIXAJQ-UHFFFAOYSA-N 1 1 298.770 2.843 20 5 CFBDMO C[C@H](CO)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000351490444 382040836 /nfs/dbraw/zinc/04/08/36/382040836.db2.gz FEGZDJBKJARFRU-LLVKDONJSA-N 1 1 296.342 2.859 20 5 CFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301197860 382103653 /nfs/dbraw/zinc/10/36/53/382103653.db2.gz UWVBYWCGOMBCMC-LBPRGKRZSA-N 1 1 292.383 2.912 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000357238125 382072958 /nfs/dbraw/zinc/07/29/58/382072958.db2.gz MDYOCXUCJDXRRE-NSHDSACASA-N 1 1 293.367 2.940 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362446837 382073307 /nfs/dbraw/zinc/07/33/07/382073307.db2.gz AWSUTUWOQHSUGV-HOCLYGCPSA-N 1 1 290.363 2.904 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293354711 382092263 /nfs/dbraw/zinc/09/22/63/382092263.db2.gz HCWUQXSMLMGZMA-MRVPVSSYSA-N 1 1 278.337 2.606 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000301561551 382176494 /nfs/dbraw/zinc/17/64/94/382176494.db2.gz UVAFAJDYYVYOCX-AWEZNQCLSA-N 1 1 263.341 2.881 20 5 CFBDMO Cc1ccnc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301293850 382140626 /nfs/dbraw/zinc/14/06/26/382140626.db2.gz OLGCTYHCWMPSGK-YPMHNXCESA-N 1 1 292.383 2.831 20 5 CFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000301384682 382164443 /nfs/dbraw/zinc/16/44/43/382164443.db2.gz VAVNENPIHHMZRD-AWEZNQCLSA-N 1 1 281.331 2.510 20 5 CFBDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222792 382210049 /nfs/dbraw/zinc/21/00/49/382210049.db2.gz UWAMKKAWACQVIA-OAHLLOKOSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222792 382210054 /nfs/dbraw/zinc/21/00/54/382210054.db2.gz UWAMKKAWACQVIA-OAHLLOKOSA-N 1 1 291.351 2.655 20 5 CFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187588087 382218656 /nfs/dbraw/zinc/21/86/56/382218656.db2.gz VGVFINBELCPWBT-HNNXBMFYSA-N 1 1 278.352 2.579 20 5 CFBDMO CCC[C@@]1(CO)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344240552 382224676 /nfs/dbraw/zinc/22/46/76/382224676.db2.gz CZYHESOCTRPLGG-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344240552 382224683 /nfs/dbraw/zinc/22/46/83/382224683.db2.gz CZYHESOCTRPLGG-OAHLLOKOSA-N 1 1 296.342 2.718 20 5 CFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419331663 382289102 /nfs/dbraw/zinc/28/91/02/382289102.db2.gz JNZUHRJJHFLOLW-KBPBESRZSA-N 1 1 294.399 2.938 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC000364326668 382307520 /nfs/dbraw/zinc/30/75/20/382307520.db2.gz HIHWFCDYDPOMPH-LBPRGKRZSA-N 1 1 292.364 2.690 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956895 382309448 /nfs/dbraw/zinc/30/94/48/382309448.db2.gz YPEGTKLVGMEJLN-XJKSGUPXSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420300906 382352296 /nfs/dbraw/zinc/35/22/96/382352296.db2.gz DHXDICPFPQJHDQ-AVGNSLFASA-N 1 1 277.368 2.633 20 5 CFBDMO CC(C)(C)C[N@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303998787 382368183 /nfs/dbraw/zinc/36/81/83/382368183.db2.gz QGWUOOWWFMLMSR-UHFFFAOYSA-N 1 1 298.358 2.964 20 5 CFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303998787 382368190 /nfs/dbraw/zinc/36/81/90/382368190.db2.gz QGWUOOWWFMLMSR-UHFFFAOYSA-N 1 1 298.358 2.964 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092515 382374428 /nfs/dbraw/zinc/37/44/28/382374428.db2.gz CKXBJTMUZNXMOM-RYUDHWBXSA-N 1 1 284.381 2.782 20 5 CFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000304092515 382374430 /nfs/dbraw/zinc/37/44/30/382374430.db2.gz CKXBJTMUZNXMOM-RYUDHWBXSA-N 1 1 284.381 2.782 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365342901 382379507 /nfs/dbraw/zinc/37/95/07/382379507.db2.gz JJUJUYWNEKEXKJ-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365342901 382379515 /nfs/dbraw/zinc/37/95/15/382379515.db2.gz JJUJUYWNEKEXKJ-AWEZNQCLSA-N 1 1 296.754 2.595 20 5 CFBDMO COc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000352545249 382390669 /nfs/dbraw/zinc/39/06/69/382390669.db2.gz HSJYRGPNXSNBQH-GFCCVEGCSA-N 1 1 296.367 2.849 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1O ZINC000352669340 382444768 /nfs/dbraw/zinc/44/47/68/382444768.db2.gz YYOLDDNPRCNIGY-STQMWFEESA-N 1 1 284.743 2.593 20 5 CFBDMO CC[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000420415765 382402874 /nfs/dbraw/zinc/40/28/74/382402874.db2.gz VFRKJXDBEFWNDS-DOMZBBRYSA-N 1 1 277.368 2.635 20 5 CFBDMO CC(C)[C@H]([NH3+])CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346693377 382477894 /nfs/dbraw/zinc/47/78/94/382477894.db2.gz MRZAASLRAXXNNB-DDJMYBDESA-N 1 1 291.395 2.913 20 5 CFBDMO CCC1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358276548 382542010 /nfs/dbraw/zinc/54/20/10/382542010.db2.gz QSXCYRAPCVDFRX-UHFFFAOYSA-N 1 1 280.372 2.692 20 5 CFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791487 382576480 /nfs/dbraw/zinc/57/64/80/382576480.db2.gz NMQVWRXHWXFCGZ-BXUZGUMPSA-N 1 1 298.770 2.841 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000189571402 382625666 /nfs/dbraw/zinc/62/56/66/382625666.db2.gz BUPHKUUDJCUDDN-AWEZNQCLSA-N 1 1 278.352 2.639 20 5 CFBDMO CC[N@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353755640 382626790 /nfs/dbraw/zinc/62/67/90/382626790.db2.gz TUSBMWHUSFRPDJ-AAEUAGOBSA-N 1 1 297.424 2.961 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312226 382661581 /nfs/dbraw/zinc/66/15/81/382661581.db2.gz KQEBMTMTFIBJKL-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312226 382661582 /nfs/dbraw/zinc/66/15/82/382661582.db2.gz KQEBMTMTFIBJKL-DGCLKSJQSA-N 1 1 264.325 2.594 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193454760 382719993 /nfs/dbraw/zinc/71/99/93/382719993.db2.gz CQZHSBOEVFZCLX-UHFFFAOYSA-N 1 1 289.339 2.574 20 5 CFBDMO CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193596704 382721359 /nfs/dbraw/zinc/72/13/59/382721359.db2.gz MUKBDDVZACMMGT-UHFFFAOYSA-N 1 1 279.296 2.735 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193967469 382731391 /nfs/dbraw/zinc/73/13/91/382731391.db2.gz ZNWMYCFDRKRCKE-PHIMTYICSA-N 1 1 291.307 2.735 20 5 CFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000216573279 382784107 /nfs/dbraw/zinc/78/41/07/382784107.db2.gz KZAHOOYGVLVGAJ-STQMWFEESA-N 1 1 261.325 2.634 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000575805911 382799626 /nfs/dbraw/zinc/79/96/26/382799626.db2.gz PMXKCBBTXURTHV-HOCLYGCPSA-N 1 1 292.379 2.620 20 5 CFBDMO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000337483051 382829004 /nfs/dbraw/zinc/82/90/04/382829004.db2.gz RLDAPAWVMFJHDC-GFCCVEGCSA-N 1 1 288.351 2.796 20 5 CFBDMO CC[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441384685 382912623 /nfs/dbraw/zinc/91/26/23/382912623.db2.gz MYZLJGMBAQVJOB-LBPRGKRZSA-N 1 1 294.351 2.857 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000441343662 382909010 /nfs/dbraw/zinc/90/90/10/382909010.db2.gz WJXFGGDKQKWRIY-YPMHNXCESA-N 1 1 294.351 2.603 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577579439 382863688 /nfs/dbraw/zinc/86/36/88/382863688.db2.gz MTIQTQWPOUCPFH-MELADBBJSA-N 1 1 289.379 2.824 20 5 CFBDMO C[NH+](C)C(C)(C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648196 382866804 /nfs/dbraw/zinc/86/68/04/382866804.db2.gz CFVBVKXJHZKYJS-ZDUSSCGKSA-N 1 1 277.368 2.512 20 5 CFBDMO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000338288881 382978657 /nfs/dbraw/zinc/97/86/57/382978657.db2.gz RFTIDDHNNHYQBS-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO C[C@@H]1C[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772549 382980366 /nfs/dbraw/zinc/98/03/66/382980366.db2.gz FZCFHMIGMHPTRC-CHWSQXEVSA-N 1 1 290.363 2.768 20 5 CFBDMO CC(C)COCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548849401 382987351 /nfs/dbraw/zinc/98/73/51/382987351.db2.gz UWQYUCKRQZEVHA-UHFFFAOYSA-N 1 1 278.352 2.626 20 5 CFBDMO CC(C)COCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548849401 382987358 /nfs/dbraw/zinc/98/73/58/382987358.db2.gz UWQYUCKRQZEVHA-UHFFFAOYSA-N 1 1 278.352 2.626 20 5 CFBDMO COC(C)(C)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345232 382998019 /nfs/dbraw/zinc/99/80/19/382998019.db2.gz GMBXGDXCWGOOGS-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245931829 383050460 /nfs/dbraw/zinc/05/04/60/383050460.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000245931829 383050480 /nfs/dbraw/zinc/05/04/80/383050480.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 1 1 291.395 2.929 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000245931829 383050484 /nfs/dbraw/zinc/05/04/84/383050484.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 1 1 291.395 2.929 20 5 CFBDMO C[NH2+]C[C@H](C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423275179 383055218 /nfs/dbraw/zinc/05/52/18/383055218.db2.gz MTRXLBSXCMWVIR-NHYWBVRUSA-N 1 1 291.395 2.762 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000338974804 383105632 /nfs/dbraw/zinc/10/56/32/383105632.db2.gz UKJBYXFXYBATNK-GFCCVEGCSA-N 1 1 266.341 2.950 20 5 CFBDMO COc1cc(C[NH2+][C@@H]2CCC[C@H]2F)c([N+](=O)[O-])cc1OC ZINC000339587715 383254601 /nfs/dbraw/zinc/25/46/01/383254601.db2.gz SDSNHNVQPQDRTF-GHMZBOCLSA-N 1 1 298.314 2.592 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339618588 383263834 /nfs/dbraw/zinc/26/38/34/383263834.db2.gz HBAOWAMQMWTZIL-HZSPNIEDSA-N 1 1 291.395 2.989 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618588 383263836 /nfs/dbraw/zinc/26/38/36/383263836.db2.gz HBAOWAMQMWTZIL-HZSPNIEDSA-N 1 1 291.395 2.989 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339618588 383263840 /nfs/dbraw/zinc/26/38/40/383263840.db2.gz HBAOWAMQMWTZIL-HZSPNIEDSA-N 1 1 291.395 2.989 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000449503522 383340416 /nfs/dbraw/zinc/34/04/16/383340416.db2.gz UFVCNIBRSTYYOF-ZDUSSCGKSA-N 1 1 286.335 2.698 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449428542 383287601 /nfs/dbraw/zinc/28/76/01/383287601.db2.gz VBEREVZGAVZSBJ-LBPRGKRZSA-N 1 1 292.335 2.596 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449428542 383287607 /nfs/dbraw/zinc/28/76/07/383287607.db2.gz VBEREVZGAVZSBJ-LBPRGKRZSA-N 1 1 292.335 2.596 20 5 CFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000252220656 383405851 /nfs/dbraw/zinc/40/58/51/383405851.db2.gz YYILLUDXOMWJBE-NWDGAFQWSA-N 1 1 291.351 2.654 20 5 CFBDMO CC(C)(O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000428409347 383467115 /nfs/dbraw/zinc/46/71/15/383467115.db2.gz MJQRPKFYDIDJLN-ALCCZGGFSA-N 1 1 290.363 2.843 20 5 CFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000255114714 383476070 /nfs/dbraw/zinc/47/60/70/383476070.db2.gz JEBOHKIHTLCRFF-ZBKLQPJUSA-N 1 1 276.336 2.719 20 5 CFBDMO CC(C)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488098698 383495687 /nfs/dbraw/zinc/49/56/87/383495687.db2.gz WKFZQTIYJISRLY-XJKSGUPXSA-N 1 1 291.395 2.928 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000430214468 383590780 /nfs/dbraw/zinc/59/07/80/383590780.db2.gz ZJVHOBNQSQXMNP-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000430214468 383590783 /nfs/dbraw/zinc/59/07/83/383590783.db2.gz ZJVHOBNQSQXMNP-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000430214467 383591125 /nfs/dbraw/zinc/59/11/25/383591125.db2.gz ZJVHOBNQSQXMNP-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000430214467 383591128 /nfs/dbraw/zinc/59/11/28/383591128.db2.gz ZJVHOBNQSQXMNP-MNOVXSKESA-N 1 1 296.392 2.929 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000489910927 383642119 /nfs/dbraw/zinc/64/21/19/383642119.db2.gz JBIQFFQXNBWEQP-NSHDSACASA-N 1 1 272.308 2.527 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000489923052 383644368 /nfs/dbraw/zinc/64/43/68/383644368.db2.gz NEEWXSYCWYCWAK-VIFPVBQESA-N 1 1 292.726 2.872 20 5 CFBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC1(C)C ZINC000489450315 383620927 /nfs/dbraw/zinc/62/09/27/383620927.db2.gz WBFVXYDGSZDOAM-ZDUSSCGKSA-N 1 1 292.335 2.692 20 5 CFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC1(C)C ZINC000489450315 383620929 /nfs/dbraw/zinc/62/09/29/383620929.db2.gz WBFVXYDGSZDOAM-ZDUSSCGKSA-N 1 1 292.335 2.692 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC1(C)C ZINC000489503294 383625055 /nfs/dbraw/zinc/62/50/55/383625055.db2.gz XSOXQKFBZYFDMQ-LBPRGKRZSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC1(C)C ZINC000489503294 383625057 /nfs/dbraw/zinc/62/50/57/383625057.db2.gz XSOXQKFBZYFDMQ-LBPRGKRZSA-N 1 1 252.289 2.964 20 5 CFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489497524 383625280 /nfs/dbraw/zinc/62/52/80/383625280.db2.gz KVROQWVDCPRMEM-CYBMUJFWSA-N 1 1 264.325 2.704 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451645721 383674291 /nfs/dbraw/zinc/67/42/91/383674291.db2.gz FYRSTWHUABJGJY-CQSZACIVSA-N 1 1 278.377 2.922 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccncn1)c1ccc([N+](=O)[O-])cc1 ZINC000453225376 383808290 /nfs/dbraw/zinc/80/82/90/383808290.db2.gz OBRUPDPGDQQJNF-QWRGUYRKSA-N 1 1 272.308 2.797 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000265559864 383945503 /nfs/dbraw/zinc/94/55/03/383945503.db2.gz SDCLUONARSURTD-VXGBXAGGSA-N 1 1 296.758 2.682 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOCC1CCC1)C2 ZINC000573701716 383977490 /nfs/dbraw/zinc/97/74/90/383977490.db2.gz GQNWRIVZOIOMCI-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOCC1CCC1)C2 ZINC000573701716 383977494 /nfs/dbraw/zinc/97/74/94/383977494.db2.gz GQNWRIVZOIOMCI-UHFFFAOYSA-N 1 1 290.363 2.770 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccccc2)cs1 ZINC000265833777 384011205 /nfs/dbraw/zinc/01/12/05/384011205.db2.gz DLSNMLKCVAERRS-CYBMUJFWSA-N 1 1 292.360 2.870 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532425 384043391 /nfs/dbraw/zinc/04/33/91/384043391.db2.gz HIXLMQHYYJILIT-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532425 384043399 /nfs/dbraw/zinc/04/33/99/384043399.db2.gz HIXLMQHYYJILIT-QWHCGFSZSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000266289128 384138062 /nfs/dbraw/zinc/13/80/62/384138062.db2.gz WDFWJOUYWPZEBQ-GHMZBOCLSA-N 1 1 281.331 2.653 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000171831375 285089458 /nfs/dbraw/zinc/08/94/58/285089458.db2.gz QWPQZLNMWSEXCA-UHFFFAOYSA-N 1 1 295.770 2.923 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266887258 384253829 /nfs/dbraw/zinc/25/38/29/384253829.db2.gz BSIOIYAEVUALTQ-CYBMUJFWSA-N 1 1 286.335 2.698 20 5 CFBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266915199 384260585 /nfs/dbraw/zinc/26/05/85/384260585.db2.gz MRNXMSPRIYRJCN-CYBMUJFWSA-N 1 1 288.351 2.527 20 5 CFBDMO COC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266962056 384270541 /nfs/dbraw/zinc/27/05/41/384270541.db2.gz XQXAXAWXDLJOJV-SNVBAGLBSA-N 1 1 284.743 2.717 20 5 CFBDMO C[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267032576 384283914 /nfs/dbraw/zinc/28/39/14/384283914.db2.gz BNDCKHKYYSTRLG-ZDUSSCGKSA-N 1 1 288.351 2.527 20 5 CFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289401047 197330126 /nfs/dbraw/zinc/33/01/26/197330126.db2.gz KZFRDKQYYAPLDW-GDBMZVCRSA-N 1 1 290.363 2.750 20 5 CFBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)C1CC1 ZINC000278228020 384504261 /nfs/dbraw/zinc/50/42/61/384504261.db2.gz RLUARFVGCLHSHZ-UHFFFAOYSA-N 1 1 294.336 2.691 20 5 CFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)C1CC1 ZINC000278228020 384504266 /nfs/dbraw/zinc/50/42/66/384504266.db2.gz RLUARFVGCLHSHZ-UHFFFAOYSA-N 1 1 294.336 2.691 20 5 CFBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289385028 197322383 /nfs/dbraw/zinc/32/23/83/197322383.db2.gz DAJGKNMOXBQUOP-NSHDSACASA-N 1 1 290.319 2.667 20 5 CFBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289383847 197322191 /nfs/dbraw/zinc/32/21/91/197322191.db2.gz CXQDHFAMAIIRTO-LLVKDONJSA-N 1 1 290.319 2.667 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000353075426 220304322 /nfs/dbraw/zinc/30/43/22/220304322.db2.gz XTWNAKZQQCTRGX-LLVKDONJSA-N 1 1 285.413 2.866 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC12CCOCC2 ZINC000368577035 285118006 /nfs/dbraw/zinc/11/80/06/285118006.db2.gz RTCMUUSFEMHNFJ-UHFFFAOYSA-N 1 1 294.326 2.879 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000279643086 384705540 /nfs/dbraw/zinc/70/55/40/384705540.db2.gz JNXYLFPZWQLMFY-OAHLLOKOSA-N 1 1 278.352 2.640 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662466 384825325 /nfs/dbraw/zinc/82/53/25/384825325.db2.gz KPEPEULEBSFPLS-SMDDNHRTSA-N 1 1 266.341 2.605 20 5 CFBDMO CC(C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269664895 384827449 /nfs/dbraw/zinc/82/74/49/384827449.db2.gz ROCNPTQNPUCVGQ-HNNXBMFYSA-N 1 1 278.352 2.749 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC(F)(F)C1)CCO2 ZINC000451053022 285141907 /nfs/dbraw/zinc/14/19/07/285141907.db2.gz YREOZZJNQAEJTM-UHFFFAOYSA-N 1 1 298.289 2.835 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC(F)(F)C1)CCO2 ZINC000451053022 285141911 /nfs/dbraw/zinc/14/19/11/285141911.db2.gz YREOZZJNQAEJTM-UHFFFAOYSA-N 1 1 298.289 2.835 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC(F)(F)C1)CC2 ZINC000334620441 285142103 /nfs/dbraw/zinc/14/21/03/285142103.db2.gz NNNNWIGPSZTDFT-UHFFFAOYSA-N 1 1 282.290 2.998 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1C=CCCC1)CCO2 ZINC000352622311 285143140 /nfs/dbraw/zinc/14/31/40/285143140.db2.gz ZUWDZRUATUCEGC-ZDUSSCGKSA-N 1 1 274.320 2.898 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C=CCCC1)CCO2 ZINC000352622311 285143141 /nfs/dbraw/zinc/14/31/41/285143141.db2.gz ZUWDZRUATUCEGC-ZDUSSCGKSA-N 1 1 274.320 2.898 20 5 CFBDMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270335017 385061070 /nfs/dbraw/zinc/06/10/70/385061070.db2.gz YERISFFTPFNSDI-DZGCQCFKSA-N 1 1 298.346 2.847 20 5 CFBDMO C[C@H](SCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000270487835 385121334 /nfs/dbraw/zinc/12/13/34/385121334.db2.gz CGTXCVOWSLFPLT-LBPRGKRZSA-N 1 1 296.392 2.721 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000280725019 385128323 /nfs/dbraw/zinc/12/83/23/385128323.db2.gz YKNHXYCFWPDACE-MLGOLLRUSA-N 1 1 290.363 2.903 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000280725019 385128331 /nfs/dbraw/zinc/12/83/31/385128331.db2.gz YKNHXYCFWPDACE-MLGOLLRUSA-N 1 1 290.363 2.903 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCO2)C2CC2)c1 ZINC000153331332 285153295 /nfs/dbraw/zinc/15/32/95/285153295.db2.gz FFNAGLUQEYCDOZ-OAHLLOKOSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441632778 285155542 /nfs/dbraw/zinc/15/55/42/285155542.db2.gz GDTYAWZIRBPKSL-NEPJUHHUSA-N 1 1 294.326 2.592 20 5 CFBDMO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000493236591 285154214 /nfs/dbraw/zinc/15/42/14/285154214.db2.gz KJEUANWDRKWPCL-NSHDSACASA-N 1 1 295.770 2.528 20 5 CFBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1C ZINC000282526126 385334861 /nfs/dbraw/zinc/33/48/61/385334861.db2.gz QACIZNYBUPCENM-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1C ZINC000282526126 385334866 /nfs/dbraw/zinc/33/48/66/385334866.db2.gz QACIZNYBUPCENM-YGRLFVJLSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1C ZINC000282526124 385334962 /nfs/dbraw/zinc/33/49/62/385334962.db2.gz QACIZNYBUPCENM-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1C ZINC000282526124 385334965 /nfs/dbraw/zinc/33/49/65/385334965.db2.gz QACIZNYBUPCENM-QMTHXVAHSA-N 1 1 282.315 2.591 20 5 CFBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283189847 385444714 /nfs/dbraw/zinc/44/47/14/385444714.db2.gz FRHDPBWRGBIBHW-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO CO[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272296524 385501699 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CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281199992 195145206 /nfs/dbraw/zinc/14/52/06/195145206.db2.gz ALWNKTXLJWVTHX-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277011672 386107805 /nfs/dbraw/zinc/10/78/05/386107805.db2.gz KAEGOMSUVPWSBP-UHFFFAOYSA-N 1 1 299.330 2.562 20 5 CFBDMO CCOc1cc(C[N@@H+](CC)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000276956729 386091786 /nfs/dbraw/zinc/09/17/86/386091786.db2.gz UZQFNZIJRYRYBD-UHFFFAOYSA-N 1 1 296.367 2.586 20 5 CFBDMO CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283584562 195883225 /nfs/dbraw/zinc/88/32/25/195883225.db2.gz RLVKPAVUVFCETC-GFCCVEGCSA-N 1 1 293.367 2.900 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414068355 533450719 /nfs/dbraw/zinc/45/07/19/533450719.db2.gz AYZDLIOYTKLLMT-LLVKDONJSA-N 1 1 286.335 2.588 20 5 CFBDMO Cc1nc(N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000268535346 132023063 /nfs/dbraw/zinc/02/30/63/132023063.db2.gz YEGWSCFAAJLRJT-CYBMUJFWSA-N 1 1 292.383 2.609 20 5 CFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134569 132118233 /nfs/dbraw/zinc/11/82/33/132118233.db2.gz PCAFIPUUGWFIAR-OLZOCXBDSA-N 1 1 295.408 2.572 20 5 CFBDMO CC(C)C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000020201781 393485323 /nfs/dbraw/zinc/48/53/23/393485323.db2.gz MASJIZFINKCEFO-AWEZNQCLSA-N 1 1 279.384 2.661 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000183256685 393518609 /nfs/dbraw/zinc/51/86/09/393518609.db2.gz KLKVSCNFEUEBDG-CYBMUJFWSA-N 1 1 266.366 2.841 20 5 CFBDMO C[C@H](NCC(C)(C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037177063 393529362 /nfs/dbraw/zinc/52/93/62/393529362.db2.gz VPJXPJSREFAVNX-NSHDSACASA-N 1 1 265.357 2.586 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000184742270 393530644 /nfs/dbraw/zinc/53/06/44/393530644.db2.gz QPODYMVGCPWEEG-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000184742270 393530649 /nfs/dbraw/zinc/53/06/49/393530649.db2.gz QPODYMVGCPWEEG-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000184742270 393530654 /nfs/dbraw/zinc/53/06/54/393530654.db2.gz QPODYMVGCPWEEG-MRXNPFEDSA-N 1 1 291.395 2.675 20 5 CFBDMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563138 393534353 /nfs/dbraw/zinc/53/43/53/393534353.db2.gz CKKMWHZYIYXJHZ-LBPRGKRZSA-N 1 1 285.413 2.722 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461079 393553168 /nfs/dbraw/zinc/55/31/68/393553168.db2.gz WMWAXYXWRXTFBK-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330461079 393553174 /nfs/dbraw/zinc/55/31/74/393553174.db2.gz WMWAXYXWRXTFBK-BXUZGUMPSA-N 1 1 278.352 2.903 20 5 CFBDMO C[C@H]1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311259 393625986 /nfs/dbraw/zinc/62/59/86/393625986.db2.gz YJYCWXRORPYFQL-XHDPSFHLSA-N 1 1 276.336 2.520 20 5 CFBDMO C[C@H]1CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408311259 393625990 /nfs/dbraw/zinc/62/59/90/393625990.db2.gz YJYCWXRORPYFQL-XHDPSFHLSA-N 1 1 276.336 2.520 20 5 CFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000411682642 393738618 /nfs/dbraw/zinc/73/86/18/393738618.db2.gz GDXFGQZHTPKZJU-ZDUSSCGKSA-N 1 1 291.351 2.654 20 5 CFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000076571670 393689268 /nfs/dbraw/zinc/68/92/68/393689268.db2.gz TUWAWLSNNYTQJO-UHFFFAOYSA-N 1 1 260.293 2.862 20 5 CFBDMO C[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077871513 393702774 /nfs/dbraw/zinc/70/27/74/393702774.db2.gz IPLWIHMQBCBKAT-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077871513 393702775 /nfs/dbraw/zinc/70/27/75/393702775.db2.gz IPLWIHMQBCBKAT-UHFFFAOYSA-N 1 1 257.293 2.622 20 5 CFBDMO C[N@H+](Cc1cccc(O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000080924397 393729164 /nfs/dbraw/zinc/72/91/64/393729164.db2.gz FRTZSSAYUVSWKR-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000080924397 393729165 /nfs/dbraw/zinc/72/91/65/393729165.db2.gz FRTZSSAYUVSWKR-UHFFFAOYSA-N 1 1 272.304 2.932 20 5 CFBDMO CC[C@H](N)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414994740 393809356 /nfs/dbraw/zinc/80/93/56/393809356.db2.gz VESOBVAONWEIOB-SNPRPXQTSA-N 1 1 291.395 2.633 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@H](C)O ZINC000245522695 393813482 /nfs/dbraw/zinc/81/34/82/393813482.db2.gz LYZIVBWBHWZECW-NWDGAFQWSA-N 1 1 266.341 2.667 20 5 CFBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000425424771 393879141 /nfs/dbraw/zinc/87/91/41/393879141.db2.gz SRTQJAXASVMDGF-MRXNPFEDSA-N 1 1 290.363 2.984 20 5 CFBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000103466604 393856674 /nfs/dbraw/zinc/85/66/74/393856674.db2.gz ZAJUHZVTSUMOAX-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000103466604 393856679 /nfs/dbraw/zinc/85/66/79/393856679.db2.gz ZAJUHZVTSUMOAX-UHFFFAOYSA-N 1 1 284.331 2.838 20 5 CFBDMO CC(C)c1ccc(C[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000121195341 393951412 /nfs/dbraw/zinc/95/14/12/393951412.db2.gz YDGPJLJVJXSGPX-UHFFFAOYSA-N 1 1 291.395 2.902 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000430217664 393969886 /nfs/dbraw/zinc/96/98/86/393969886.db2.gz KBKVPFXFIHTZRB-FZMZJTMJSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000430217662 393969928 /nfs/dbraw/zinc/96/99/28/393969928.db2.gz KBKVPFXFIHTZRB-BXUZGUMPSA-N 1 1 276.336 2.978 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000430236069 393971752 /nfs/dbraw/zinc/97/17/52/393971752.db2.gz MTKYATFLEABBMK-OAHLLOKOSA-N 1 1 294.351 2.604 20 5 CFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128823 393976168 /nfs/dbraw/zinc/97/61/68/393976168.db2.gz WWMWOOSYSXACEW-TZMCWYRMSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000351490445 394004044 /nfs/dbraw/zinc/00/40/44/394004044.db2.gz FEGZDJBKJARFRU-NSHDSACASA-N 1 1 296.342 2.859 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000125699231 394011516 /nfs/dbraw/zinc/01/15/16/394011516.db2.gz DBXQVINPETYJLU-JTQLQIEISA-N 1 1 275.308 2.968 20 5 CFBDMO CC(C)C1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000433154827 394014587 /nfs/dbraw/zinc/01/45/87/394014587.db2.gz CCAMBVHRJNBVJM-UHFFFAOYSA-N 1 1 294.399 2.938 20 5 CFBDMO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000439481335 394118680 /nfs/dbraw/zinc/11/86/80/394118680.db2.gz HTMNLZVQLBMJQK-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000439481335 394118683 /nfs/dbraw/zinc/11/86/83/394118683.db2.gz HTMNLZVQLBMJQK-NSHDSACASA-N 1 1 282.315 2.735 20 5 CFBDMO CSCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000439479842 394119091 /nfs/dbraw/zinc/11/90/91/394119091.db2.gz WCTVDLAHFNKIBI-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CSCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000439479842 394119097 /nfs/dbraw/zinc/11/90/97/394119097.db2.gz WCTVDLAHFNKIBI-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049832 394144369 /nfs/dbraw/zinc/14/43/69/394144369.db2.gz HFNIZXFLBUITFT-WDEREUQCSA-N 1 1 281.331 2.571 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)CC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360090927 394145446 /nfs/dbraw/zinc/14/54/46/394145446.db2.gz RURYNKKLNBOCHP-NSHDSACASA-N 1 1 281.331 2.573 20 5 CFBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421366809 394204302 /nfs/dbraw/zinc/20/43/02/394204302.db2.gz VTJRGTJISFICHP-IOKDEZFASA-N 1 1 290.363 2.558 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000135287036 394215882 /nfs/dbraw/zinc/21/58/82/394215882.db2.gz KKZVLTKSYZGIGS-UHFFFAOYSA-N 1 1 291.351 2.574 20 5 CFBDMO CC[C@H](C)[N@H+](C)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118612 394219329 /nfs/dbraw/zinc/21/93/29/394219329.db2.gz TXWNDBSUBPCIIO-KBPBESRZSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118612 394219333 /nfs/dbraw/zinc/21/93/33/394219333.db2.gz TXWNDBSUBPCIIO-KBPBESRZSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118614 394219436 /nfs/dbraw/zinc/21/94/36/394219436.db2.gz TXWNDBSUBPCIIO-UONOGXRCSA-N 1 1 293.411 2.846 20 5 CFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118614 394219439 /nfs/dbraw/zinc/21/94/39/394219439.db2.gz TXWNDBSUBPCIIO-UONOGXRCSA-N 1 1 293.411 2.846 20 5 CFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153636552 394287251 /nfs/dbraw/zinc/28/72/51/394287251.db2.gz MKMVHZIADZYUEW-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153748661 394291065 /nfs/dbraw/zinc/29/10/65/394291065.db2.gz KGDLEKNBHFACCB-NSHDSACASA-N 1 1 298.774 2.930 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000154381702 394296436 /nfs/dbraw/zinc/29/64/36/394296436.db2.gz VXFKSIPSDGEBRY-HNNXBMFYSA-N 1 1 290.363 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+](C)C(C)C ZINC000155761783 394322795 /nfs/dbraw/zinc/32/27/95/394322795.db2.gz HVVCSUVDDWOXOG-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)C(C)C ZINC000155761783 394322799 /nfs/dbraw/zinc/32/27/99/394322799.db2.gz HVVCSUVDDWOXOG-ZDUSSCGKSA-N 1 1 279.384 2.894 20 5 CFBDMO C[C@H]1CSCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000172592712 394373716 /nfs/dbraw/zinc/37/37/16/394373716.db2.gz MWHIENIYPRNHEU-JTQLQIEISA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@H]1CSCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000172592712 394373719 /nfs/dbraw/zinc/37/37/19/394373719.db2.gz MWHIENIYPRNHEU-JTQLQIEISA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CCCO)C1 ZINC000452128382 394379025 /nfs/dbraw/zinc/37/90/25/394379025.db2.gz MBPBBYBJIIFOQR-CHWSQXEVSA-N 1 1 278.352 2.750 20 5 CFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC000177342276 394383456 /nfs/dbraw/zinc/38/34/56/394383456.db2.gz KZPPXCBUULUATO-OLZOCXBDSA-N 1 1 295.408 2.715 20 5 CFBDMO Cc1ccc(C[N@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000536650090 394566233 /nfs/dbraw/zinc/56/62/33/394566233.db2.gz GGUZAVRVCHXTIQ-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000543444322 394730137 /nfs/dbraw/zinc/73/01/37/394730137.db2.gz VSUAZXVDBZKDRU-CQSZACIVSA-N 1 1 290.363 2.912 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCOCC1 ZINC000542702486 394710850 /nfs/dbraw/zinc/71/08/50/394710850.db2.gz HXZJJQYAXBYHER-UHFFFAOYSA-N 1 1 264.325 2.514 20 5 CFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000548753768 394950772 /nfs/dbraw/zinc/95/07/72/394950772.db2.gz LMBUYJSRYBOCRI-NXEZZACHSA-N 1 1 288.307 2.628 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000556954040 395027200 /nfs/dbraw/zinc/02/72/00/395027200.db2.gz QAGCFGNQVMVZCW-LYASGUKUSA-N 1 1 289.379 2.634 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000555074151 394965036 /nfs/dbraw/zinc/96/50/36/394965036.db2.gz XWGPNCDPKBZMNY-NSHDSACASA-N 1 1 286.278 2.717 20 5 CFBDMO CC[C@@H]1C[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000556954039 395026603 /nfs/dbraw/zinc/02/66/03/395026603.db2.gz QAGCFGNQVMVZCW-DDJMYBDESA-N 1 1 289.379 2.634 20 5 CFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000558423628 395060090 /nfs/dbraw/zinc/06/00/90/395060090.db2.gz MOTVUFOKNLCWLW-UHFFFAOYSA-N 1 1 278.352 2.903 20 5 CFBDMO CCc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000558739996 395074672 /nfs/dbraw/zinc/07/46/72/395074672.db2.gz RTBUGKNISHMPPB-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO CCc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000558739996 395074673 /nfs/dbraw/zinc/07/46/73/395074673.db2.gz RTBUGKNISHMPPB-UHFFFAOYSA-N 1 1 289.335 2.820 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000356357438 155238064 /nfs/dbraw/zinc/23/80/64/155238064.db2.gz FXISKQUBXUWABK-DOMZBBRYSA-N 1 1 292.379 2.886 20 5 CFBDMO COc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291222565 286301848 /nfs/dbraw/zinc/30/18/48/286301848.db2.gz JNNNOXINAICKJT-ZDUSSCGKSA-N 1 1 294.351 2.603 20 5 CFBDMO CCOc1cc(N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000356746429 155350672 /nfs/dbraw/zinc/35/06/72/155350672.db2.gz QXCSUINNBLIHKM-GFCCVEGCSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000420319806 292296651 /nfs/dbraw/zinc/29/66/51/292296651.db2.gz POASBYLIXRTGCZ-FRRDWIJNSA-N 1 1 277.368 2.633 20 5 CFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209188 156052843 /nfs/dbraw/zinc/05/28/43/156052843.db2.gz OYMJQWIXPDFCQQ-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1cnc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361258767 156072705 /nfs/dbraw/zinc/07/27/05/156072705.db2.gz AEFYKAYCFACEIR-OLZOCXBDSA-N 1 1 292.383 2.973 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373490235 157000506 /nfs/dbraw/zinc/00/05/06/157000506.db2.gz PDVBSMTWMAEPSM-HFPBVCCTSA-N 1 1 288.347 2.861 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374041596 157061351 /nfs/dbraw/zinc/06/13/51/157061351.db2.gz IMWGEPHFLQJVBE-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO CCC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374774701 157157209 /nfs/dbraw/zinc/15/72/09/157157209.db2.gz BNDPUNFGTWAYPM-UHFFFAOYSA-N 1 1 295.358 2.652 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374930530 157173928 /nfs/dbraw/zinc/17/39/28/157173928.db2.gz PBLQGHVJDCXRSR-CYBMUJFWSA-N 1 1 296.342 2.982 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375103406 157196288 /nfs/dbraw/zinc/19/62/88/157196288.db2.gz ZEMSCCHULVANAG-CQSZACIVSA-N 1 1 278.352 2.843 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC000376046391 157317815 /nfs/dbraw/zinc/31/78/15/157317815.db2.gz ZGIWWDQBLBZXIB-SMDDNHRTSA-N 1 1 296.754 2.859 20 5 CFBDMO C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000344301403 162001028 /nfs/dbraw/zinc/00/10/28/162001028.db2.gz KFQOIYVWYQALEB-HZMBPMFUSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000344301403 162001029 /nfs/dbraw/zinc/00/10/29/162001029.db2.gz KFQOIYVWYQALEB-HZMBPMFUSA-N 1 1 297.786 2.821 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836287 163023699 /nfs/dbraw/zinc/02/36/99/163023699.db2.gz RMGWEBMPJBRUDH-TZMCWYRMSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349836287 163023701 /nfs/dbraw/zinc/02/37/01/163023701.db2.gz RMGWEBMPJBRUDH-TZMCWYRMSA-N 1 1 278.352 2.903 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000349920980 163037924 /nfs/dbraw/zinc/03/79/24/163037924.db2.gz LHRYMDCQOOYUJM-UHFFFAOYSA-N 1 1 280.372 2.586 20 5 CFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128822 163060945 /nfs/dbraw/zinc/06/09/45/163060945.db2.gz WWMWOOSYSXACEW-OCCSQVGLSA-N 1 1 280.372 2.692 20 5 CFBDMO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603405 163155906 /nfs/dbraw/zinc/15/59/06/163155906.db2.gz LEPBWBFKIYTFOM-MALLOTDXSA-N 1 1 273.292 2.947 20 5 CFBDMO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765462 163190749 /nfs/dbraw/zinc/19/07/49/163190749.db2.gz BMFUCFAYJHXNDG-GWCFXTLKSA-N 1 1 291.351 2.692 20 5 CFBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352689931 163222820 /nfs/dbraw/zinc/22/28/20/163222820.db2.gz DUPHLWYCKFJWRB-OLZOCXBDSA-N 1 1 284.743 2.593 20 5 CFBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352689931 163222823 /nfs/dbraw/zinc/22/28/23/163222823.db2.gz DUPHLWYCKFJWRB-OLZOCXBDSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352890218 163261532 /nfs/dbraw/zinc/26/15/32/163261532.db2.gz XELYJDZAXBJBKY-HNNXBMFYSA-N 1 1 296.342 2.861 20 5 CFBDMO C[C@@H]1CC[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353458319 163371202 /nfs/dbraw/zinc/37/12/02/163371202.db2.gz BOMQWDCNCIEYGR-BRLPQQTGSA-N 1 1 289.379 2.634 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000020370280 171167791 /nfs/dbraw/zinc/16/77/91/171167791.db2.gz RPBLIMAXKVHJOF-LBPRGKRZSA-N 1 1 278.356 2.666 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284651882 196104472 /nfs/dbraw/zinc/10/44/72/196104472.db2.gz GCBRGNVCPANYSD-HUUCEWRRSA-N 1 1 276.336 2.738 20 5 CFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284932224 196159948 /nfs/dbraw/zinc/15/99/48/196159948.db2.gz WGGACUIERALFNF-HOTGVXAUSA-N 1 1 290.363 2.781 20 5 CFBDMO C[C@@H]1CC[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444103 196285708 /nfs/dbraw/zinc/28/57/08/196285708.db2.gz XVSOKOOREUKKIJ-TZMCWYRMSA-N 1 1 278.352 2.637 20 5 CFBDMO CC[C@H](NC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087919 174100298 /nfs/dbraw/zinc/10/02/98/174100298.db2.gz SHAINOOWTVVCPJ-RISCZKNCSA-N 1 1 265.357 2.586 20 5 CFBDMO CCN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038098040 174112293 /nfs/dbraw/zinc/11/22/93/174112293.db2.gz NMDPFMIKEKCSDN-LBPRGKRZSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040503288 174300073 /nfs/dbraw/zinc/30/00/73/174300073.db2.gz MHQUNWQICCZMLF-CYBMUJFWSA-N 1 1 263.341 2.799 20 5 CFBDMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534270 175197168 /nfs/dbraw/zinc/19/71/68/175197168.db2.gz XDECNNIGFMSAIK-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534270 175197173 /nfs/dbraw/zinc/19/71/73/175197173.db2.gz XDECNNIGFMSAIK-OLZOCXBDSA-N 1 1 277.368 2.587 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228202996 261871009 /nfs/dbraw/zinc/87/10/09/261871009.db2.gz PQZPKYFDXNRNHM-NWDGAFQWSA-N 1 1 263.341 2.798 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000095015636 265285185 /nfs/dbraw/zinc/28/51/85/265285185.db2.gz WAARGZCURORSAC-QWHCGFSZSA-N 1 1 275.352 2.942 20 5 CFBDMO C[C@H]1CC[N@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999644 265291623 /nfs/dbraw/zinc/29/16/23/265291623.db2.gz IQGLWTBOSSWHIJ-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO C[C@H]1CC[N@@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000518999644 265291639 /nfs/dbraw/zinc/29/16/39/265291639.db2.gz IQGLWTBOSSWHIJ-SWLSCSKDSA-N 1 1 289.379 2.514 20 5 CFBDMO Cc1nocc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339183968 270301342 /nfs/dbraw/zinc/30/13/42/270301342.db2.gz GFYYRDGXXUSALT-SECBINFHSA-N 1 1 261.281 2.742 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000396022166 270314390 /nfs/dbraw/zinc/31/43/90/270314390.db2.gz LFYGGDJEPGIKBB-QWRGUYRKSA-N 1 1 272.308 2.797 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240154 270327512 /nfs/dbraw/zinc/32/75/12/270327512.db2.gz MGDIPSHUEWQEKP-SKDRFNHKSA-N 1 1 284.743 2.593 20 5 CFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240154 270327514 /nfs/dbraw/zinc/32/75/14/270327514.db2.gz MGDIPSHUEWQEKP-SKDRFNHKSA-N 1 1 284.743 2.593 20 5 CFBDMO CCc1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000517171987 270399028 /nfs/dbraw/zinc/39/90/28/270399028.db2.gz CRZGGHPCEPMUSX-CYBMUJFWSA-N 1 1 287.319 2.922 20 5 CFBDMO COC[C@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179367005 274047646 /nfs/dbraw/zinc/04/76/46/274047646.db2.gz ZZZVZQPQYYSZRY-WMADIVHISA-N 1 1 264.325 2.575 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCSC1)CC2 ZINC000336479702 275037740 /nfs/dbraw/zinc/03/77/40/275037740.db2.gz NVWOIQCIYLIYET-NSHDSACASA-N 1 1 278.377 2.706 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000301992512 275040643 /nfs/dbraw/zinc/04/06/43/275040643.db2.gz NWAKTDFYDRSMIH-ZJUUUORDSA-N 1 1 267.354 2.695 20 5 CFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471805142 276053287 /nfs/dbraw/zinc/05/32/87/276053287.db2.gz PQSNGQQNHDWWFV-AAEUAGOBSA-N 1 1 278.352 2.673 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359099105 276250814 /nfs/dbraw/zinc/25/08/14/276250814.db2.gz OAASGUOUEPYALT-STQMWFEESA-N 1 1 292.383 2.526 20 5 CFBDMO C[N@H+]1CCC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000268818310 277070162 /nfs/dbraw/zinc/07/01/62/277070162.db2.gz JCEOAYDMKZSYKS-CHWSQXEVSA-N 1 1 275.352 2.515 20 5 CFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272172252 277146834 /nfs/dbraw/zinc/14/68/34/277146834.db2.gz IGOWSNUECMCUQL-QMTHXVAHSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000366177766 277186070 /nfs/dbraw/zinc/18/60/70/277186070.db2.gz LBEINTHYKVFUQV-AWEZNQCLSA-N 1 1 295.770 2.780 20 5 CFBDMO COCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274109 277205518 /nfs/dbraw/zinc/20/55/18/277205518.db2.gz PAAHPJWEWABXTH-UHFFFAOYSA-N 1 1 272.732 2.717 20 5 CFBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182660949 277380367 /nfs/dbraw/zinc/38/03/67/277380367.db2.gz JVJCWSFQLQJTQW-NEPJUHHUSA-N 1 1 294.351 2.705 20 5 CFBDMO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422842959 288067575 /nfs/dbraw/zinc/06/75/75/288067575.db2.gz ZWOZNQVDXAQHNC-HIFRSBDPSA-N 1 1 277.368 2.778 20 5 CFBDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247746594 281016553 /nfs/dbraw/zinc/01/65/53/281016553.db2.gz YGLDTJBKYBHGOL-VXGBXAGGSA-N 1 1 293.367 2.900 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286730799 281021360 /nfs/dbraw/zinc/02/13/60/281021360.db2.gz CXSCVQQAHCZOKY-SWLSCSKDSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286730799 281021363 /nfs/dbraw/zinc/02/13/63/281021363.db2.gz CXSCVQQAHCZOKY-SWLSCSKDSA-N 1 1 296.342 2.761 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909987 281021849 /nfs/dbraw/zinc/02/18/49/281021849.db2.gz MMYXBSQYHJRELQ-LRDDRELGSA-N 1 1 290.363 2.811 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420300908 281022008 /nfs/dbraw/zinc/02/20/08/281022008.db2.gz DHXDICPFPQJHDQ-RWMBFGLXSA-N 1 1 277.368 2.633 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362087950 281022728 /nfs/dbraw/zinc/02/27/28/281022728.db2.gz CUIVMXHOIBGEGM-AVGNSLFASA-N 1 1 278.352 2.524 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249588017 281063329 /nfs/dbraw/zinc/06/33/29/281063329.db2.gz ULTLJJGHHXSGKU-TYNCELHUSA-N 1 1 278.352 2.667 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871797 281288434 /nfs/dbraw/zinc/28/84/34/281288434.db2.gz DHLSLPDQNMRTLH-WFASDCNBSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871797 281288437 /nfs/dbraw/zinc/28/84/37/281288437.db2.gz DHLSLPDQNMRTLH-WFASDCNBSA-N 1 1 291.395 2.902 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000561880856 282062609 /nfs/dbraw/zinc/06/26/09/282062609.db2.gz WGKRCQKCTXUCSZ-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996963 290027520 /nfs/dbraw/zinc/02/75/20/290027520.db2.gz ICZMUSOUUHCTFD-MQIPJXDCSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996963 290027521 /nfs/dbraw/zinc/02/75/21/290027521.db2.gz ICZMUSOUUHCTFD-MQIPJXDCSA-N 1 1 289.379 2.728 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867195 290251595 /nfs/dbraw/zinc/25/15/95/290251595.db2.gz QTZLMXSNAADVME-XTBFLFJDSA-N 1 1 289.379 2.715 20 5 CFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332209191 290268022 /nfs/dbraw/zinc/26/80/22/290268022.db2.gz JHXVCGBXVUSOKA-RFGFWPKPSA-N 1 1 290.363 2.749 20 5 CFBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000565989554 290339185 /nfs/dbraw/zinc/33/91/85/290339185.db2.gz PAJFSDITHCPBAP-UHFFFAOYSA-N 1 1 298.412 2.608 20 5 CFBDMO CC[NH+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351145343 324326518 /nfs/dbraw/zinc/32/65/18/324326518.db2.gz JVQUDKXZHGVQLA-UHFFFAOYSA-N 1 1 290.323 2.795 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000583844876 325314181 /nfs/dbraw/zinc/31/41/81/325314181.db2.gz JRAUWGCJDFSKIT-NWDGAFQWSA-N 1 1 275.352 2.940 20 5 CFBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000070012476 500685391 /nfs/dbraw/zinc/68/53/91/500685391.db2.gz YMMQYRJNJVAWIU-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@@H](C[NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414876998 533772141 /nfs/dbraw/zinc/77/21/41/533772141.db2.gz MGBJVNLLRRVIHO-NSHDSACASA-N 1 1 289.335 2.539 20 5 CFBDMO Cc1c(C[N@@H+]2CCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000172587828 533846260 /nfs/dbraw/zinc/84/62/60/533846260.db2.gz KUAVPIWKDIGPNA-SNVBAGLBSA-N 1 1 266.366 2.841 20 5 CFBDMO Cc1c([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423221841 533955355 /nfs/dbraw/zinc/95/53/55/533955355.db2.gz YJRCWXQZIJTSAT-RDBSUJKOSA-N 1 1 291.395 2.942 20 5 CFBDMO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000414449598 534053790 /nfs/dbraw/zinc/05/37/90/534053790.db2.gz CMOZGYYKNGWHMA-UHFFFAOYSA-N 1 1 286.335 2.718 20 5 CFBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361545139 518974660 /nfs/dbraw/zinc/97/46/60/518974660.db2.gz ZPIGJGXZFLWRMS-LBPRGKRZSA-N 1 1 280.372 2.549 20 5 CFBDMO CCCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208291 520410559 /nfs/dbraw/zinc/41/05/59/520410559.db2.gz QFFDCMPMELWWSB-UHFFFAOYSA-N 1 1 252.314 2.706 20 5 CFBDMO CC1(C)[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172970624 520643825 /nfs/dbraw/zinc/64/38/25/520643825.db2.gz AKXJVVBIRDQYKY-OKILXGFUSA-N 1 1 276.336 2.561 20 5 CFBDMO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300658 521641004 /nfs/dbraw/zinc/64/10/04/521641004.db2.gz VFWBSNOHTSHATJ-IUODEOHRSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300658 521641008 /nfs/dbraw/zinc/64/10/08/521641008.db2.gz VFWBSNOHTSHATJ-IUODEOHRSA-N 1 1 277.368 2.730 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713113 /nfs/dbraw/zinc/71/31/13/521713113.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 1 1 291.395 2.757 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714100 /nfs/dbraw/zinc/71/41/00/521714100.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714109 /nfs/dbraw/zinc/71/41/09/521714109.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 1 1 291.395 2.757 20 5 CFBDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714112 /nfs/dbraw/zinc/71/41/12/521714112.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 1 1 291.395 2.757 20 5 CFBDMO C[N@H+](CCOC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000195178062 522888091 /nfs/dbraw/zinc/88/80/91/522888091.db2.gz HMLUTDPMKYMVCB-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000195178062 522888095 /nfs/dbraw/zinc/88/80/95/522888095.db2.gz HMLUTDPMKYMVCB-UHFFFAOYSA-N 1 1 266.341 2.842 20 5 CFBDMO CC[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340673262 523265647 /nfs/dbraw/zinc/26/56/47/523265647.db2.gz FWTHBCYBYQHSQR-GFCCVEGCSA-N 1 1 264.325 2.848 20 5 CFBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072259 523445328 /nfs/dbraw/zinc/44/53/28/523445328.db2.gz DNPJZYIHTVJSNT-CQSZACIVSA-N 1 1 280.393 2.965 20 5 CFBDMO C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065208264 524091605 /nfs/dbraw/zinc/09/16/05/524091605.db2.gz ZEMWXNKWBREAEE-LBPRGKRZSA-N 1 1 264.325 2.706 20 5 CFBDMO C[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156164626 524812135 /nfs/dbraw/zinc/81/21/35/524812135.db2.gz DXMRZNYNFLWFHH-UWVGGRQHSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@H](NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049574766 525350032 /nfs/dbraw/zinc/35/00/32/525350032.db2.gz LIKSDTDTFLEVIQ-ZDUSSCGKSA-N 1 1 277.368 2.731 20 5 CFBDMO C[C@@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156164259 525447620 /nfs/dbraw/zinc/44/76/20/525447620.db2.gz DXMRZNYNFLWFHH-NXEZZACHSA-N 1 1 267.304 2.629 20 5 CFBDMO C[C@@H]1[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361158036 525683016 /nfs/dbraw/zinc/68/30/16/525683016.db2.gz YVLYHKRQZHFTMU-APMKWMSLSA-N 1 1 289.379 2.632 20 5 CFBDMO Cc1ccc([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000166246865 525727590 /nfs/dbraw/zinc/72/75/90/525727590.db2.gz ZNEQDSOBUSWKJC-WBMJQRKESA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000162720359 526059442 /nfs/dbraw/zinc/05/94/42/526059442.db2.gz LFOPIEFYRROYCU-YHWZYXNKSA-N 1 1 290.367 2.583 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000067446456 526077827 /nfs/dbraw/zinc/07/78/27/526077827.db2.gz FSGRXURXMOBMDD-FZMZJTMJSA-N 1 1 264.325 2.767 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCOCC1 ZINC000361744533 526090486 /nfs/dbraw/zinc/09/04/86/526090486.db2.gz NGJKLSFWCLNHQU-LBPRGKRZSA-N 1 1 264.325 2.687 20 5 CFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475135 /nfs/dbraw/zinc/47/51/35/536475135.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 1 1 289.379 2.511 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156183688 527358263 /nfs/dbraw/zinc/35/82/63/527358263.db2.gz CBBPOVQINLTOIP-NWDGAFQWSA-N 1 1 279.315 2.773 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000314767656 527367922 /nfs/dbraw/zinc/36/79/22/527367922.db2.gz AAWRFXHUZQKAPB-LLVKDONJSA-N 1 1 298.346 2.792 20 5 CFBDMO CCC[C@@H](NC[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423255485 529011019 /nfs/dbraw/zinc/01/10/19/529011019.db2.gz AFUBCZGRNWKQKR-IUODEOHRSA-N 1 1 279.384 2.881 20 5 CFBDMO CC[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000727824115 574066574 /nfs/dbraw/zinc/06/65/74/574066574.db2.gz MCMZOAVKLJFEIN-LBPRGKRZSA-N 1 1 274.324 2.776 20 5 CFBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000728563354 574101266 /nfs/dbraw/zinc/10/12/66/574101266.db2.gz SDWTYYDFPPPFGP-CQSZACIVSA-N 1 1 286.335 2.776 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000740860572 574270364 /nfs/dbraw/zinc/27/03/64/574270364.db2.gz QTKSPDOYVIWOHH-WDEREUQCSA-N 1 1 274.324 2.632 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000725772630 574305970 /nfs/dbraw/zinc/30/59/70/574305970.db2.gz ZINIQAXJKSWDOD-UHFFFAOYSA-N 1 1 278.356 2.794 20 5 CFBDMO O=[N+]([O-])c1ccnn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000725772630 574305972 /nfs/dbraw/zinc/30/59/72/574305972.db2.gz ZINIQAXJKSWDOD-UHFFFAOYSA-N 1 1 278.356 2.794 20 5 CFBDMO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749939566 574316491 /nfs/dbraw/zinc/31/64/91/574316491.db2.gz ACNBJLQAWJCELA-NSHDSACASA-N 1 1 291.355 2.582 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954843 574318085 /nfs/dbraw/zinc/31/80/85/574318085.db2.gz ZRYQDHBQMPRXPK-JTQLQIEISA-N 1 1 291.355 2.583 20 5 CFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000750080119 574323401 /nfs/dbraw/zinc/32/34/01/574323401.db2.gz HXVDKRQVGFWPQJ-AWEZNQCLSA-N 1 1 264.325 2.503 20 5 CFBDMO CC(=O)c1ccc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742424965 574329770 /nfs/dbraw/zinc/32/97/70/574329770.db2.gz IBZBHKYURGDGEK-LLVKDONJSA-N 1 1 291.351 2.694 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)CCC(C)C)c1[N+](=O)[O-] ZINC000891601329 617681439 /nfs/dbraw/zinc/68/14/39/617681439.db2.gz FOTMUYKJHUFFMV-UHFFFAOYSA-N 1 1 282.340 2.787 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705731 617775726 /nfs/dbraw/zinc/77/57/26/617775726.db2.gz XBCKPNSNVHCWGE-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705731 617775732 /nfs/dbraw/zinc/77/57/32/617775732.db2.gz XBCKPNSNVHCWGE-GHMZBOCLSA-N 1 1 298.770 2.841 20 5 CFBDMO COc1c(O)ccc(C[N@@H+](C)CC2CCCC2)c1[N+](=O)[O-] ZINC000891845658 617782779 /nfs/dbraw/zinc/78/27/79/617782779.db2.gz BXSXMHXXYLSKBT-UHFFFAOYSA-N 1 1 294.351 2.931 20 5 CFBDMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000120820455 617824944 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CC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000895102468 618295039 /nfs/dbraw/zinc/29/50/39/618295039.db2.gz ZJSXALUZZHWGNA-AOOOYVTPSA-N 1 1 298.774 2.562 20 5 CFBDMO C[C@@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000925826417 619153684 /nfs/dbraw/zinc/15/36/84/619153684.db2.gz MKNFFIOTRSWFKC-SWHYSGLUSA-N 1 1 275.352 2.515 20 5 CFBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893679599 619154541 /nfs/dbraw/zinc/15/45/41/619154541.db2.gz UUGXIUDXPKZUBK-NSHDSACASA-N 1 1 294.351 2.931 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@H]3C3CC3)c2c1 ZINC000895544032 619551287 /nfs/dbraw/zinc/55/12/87/619551287.db2.gz ZYGVUNZNLWUXRZ-CVEARBPZSA-N 1 1 299.330 2.544 20 5 CFBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000895738451 619597917 /nfs/dbraw/zinc/59/79/17/619597917.db2.gz LQQVUILFJZHJJO-GXFFZTMASA-N 1 1 286.335 2.648 20 5 CFBDMO C[C@@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895738089 619598080 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CC1(C)CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000898035718 620327961 /nfs/dbraw/zinc/32/79/61/620327961.db2.gz XHZFITCTQVELSX-UHFFFAOYSA-N 1 1 295.358 2.555 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000923891734 620444477 /nfs/dbraw/zinc/44/44/77/620444477.db2.gz IOEBIGLQBWIVTC-AWEZNQCLSA-N 1 1 292.335 2.511 20 5 CFBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000899910552 620612003 /nfs/dbraw/zinc/61/20/03/620612003.db2.gz HLRKYGSFIDESCU-LBPRGKRZSA-N 1 1 291.351 2.715 20 5 CFBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000899910552 620612004 /nfs/dbraw/zinc/61/20/04/620612004.db2.gz HLRKYGSFIDESCU-LBPRGKRZSA-N 1 1 291.351 2.715 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)C2CCCC2)c1 ZINC000042503515 620932927 /nfs/dbraw/zinc/93/29/27/620932927.db2.gz SWLAIACPTZXOJQ-UHFFFAOYSA-N 1 1 298.770 2.985 20 5 CFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C[NH3+] ZINC000904411586 621592686 /nfs/dbraw/zinc/59/26/86/621592686.db2.gz NTKRBWHJMUWSJR-QWRGUYRKSA-N 1 1 297.786 2.665 20 5 CFBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116058 622997683 /nfs/dbraw/zinc/99/76/83/622997683.db2.gz NSWIAUXZTRSCDL-OUCADQQQSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116058 622997684 /nfs/dbraw/zinc/99/76/84/622997684.db2.gz NSWIAUXZTRSCDL-OUCADQQQSA-N 1 1 277.368 2.728 20 5 CFBDMO CCN(CC)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000045704823 623013650 /nfs/dbraw/zinc/01/36/50/623013650.db2.gz WXVYMSCTJKTSAH-LBPRGKRZSA-N 1 1 279.384 2.723 20 5 CFBDMO CCCC[N@@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171952679 623249697 /nfs/dbraw/zinc/24/96/97/623249697.db2.gz KWJIIMYWONYJLJ-UHFFFAOYSA-N 1 1 284.331 2.982 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350984 623265870 /nfs/dbraw/zinc/26/58/70/623265870.db2.gz QXBCFDONOOYGSB-HIFRSBDPSA-N 1 1 278.352 2.893 20 5 CFBDMO 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ZMAPNZVTCRTTOG-ZDUSSCGKSA-N 1 1 291.351 2.694 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368144 624073585 /nfs/dbraw/zinc/07/35/85/624073585.db2.gz RTCMUZOZMBRRIR-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO CCN1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368144 624073587 /nfs/dbraw/zinc/07/35/87/624073587.db2.gz RTCMUZOZMBRRIR-CYBMUJFWSA-N 1 1 297.786 2.822 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000829572229 624457002 /nfs/dbraw/zinc/45/70/02/624457002.db2.gz HLUXTTOAGWNRHG-LBPRGKRZSA-N 1 1 281.331 2.653 20 5 CFBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000175265665 624942471 /nfs/dbraw/zinc/94/24/71/624942471.db2.gz YKSYFVCBESCUFQ-TZMCWYRMSA-N 1 1 286.335 2.627 20 5 CFBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000830999831 624951052 /nfs/dbraw/zinc/95/10/52/624951052.db2.gz WNOAMXPMQHVMHL-UHFFFAOYSA-N 1 1 272.345 2.919 20 5 CFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000831971970 625198810 /nfs/dbraw/zinc/19/88/10/625198810.db2.gz YRPIVNHZBDOONY-ZDUSSCGKSA-N 1 1 295.358 2.650 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(O)(C(C)C)C1 ZINC000839132449 626527913 /nfs/dbraw/zinc/52/79/13/626527913.db2.gz ACJPVGLNDDIGQN-NTUHNPAUSA-N 1 1 290.363 2.701 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761050399 626794641 /nfs/dbraw/zinc/79/46/41/626794641.db2.gz JNWYJPALULIVEA-SNVBAGLBSA-N 1 1 274.242 2.979 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761050399 626794642 /nfs/dbraw/zinc/79/46/42/626794642.db2.gz JNWYJPALULIVEA-SNVBAGLBSA-N 1 1 274.242 2.979 20 5 CFBDMO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000762138807 626896224 /nfs/dbraw/zinc/89/62/24/626896224.db2.gz MRJWGKSWRKBYSF-SNVBAGLBSA-N 1 1 278.356 2.630 20 5 CFBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000762138807 626896225 /nfs/dbraw/zinc/89/62/25/626896225.db2.gz MRJWGKSWRKBYSF-SNVBAGLBSA-N 1 1 278.356 2.630 20 5 CFBDMO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272568 627189726 /nfs/dbraw/zinc/18/97/26/627189726.db2.gz YWAVGOKXJINYJS-QWHCGFSZSA-N 1 1 277.368 2.730 20 5 CFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272568 627189729 /nfs/dbraw/zinc/18/97/29/627189729.db2.gz YWAVGOKXJINYJS-QWHCGFSZSA-N 1 1 277.368 2.730 20 5 CFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000767458419 627253333 /nfs/dbraw/zinc/25/33/33/627253333.db2.gz HKOHWLXFUXKPRB-SNVBAGLBSA-N 1 1 292.364 2.774 20 5 CFBDMO CCCCC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000767763193 627283375 /nfs/dbraw/zinc/28/33/75/627283375.db2.gz RZAHMUVSUKOFKD-LBPRGKRZSA-N 1 1 266.345 2.794 20 5 CFBDMO C[N@@H+](CC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000768246478 627329111 /nfs/dbraw/zinc/32/91/11/627329111.db2.gz WUHJISCRSGGPDO-UHFFFAOYSA-N 1 1 278.355 2.910 20 5 CFBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290220 627590705 /nfs/dbraw/zinc/59/07/05/627590705.db2.gz SUTWQZOALRVRLT-UWVGGRQHSA-N 1 1 283.759 2.777 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000771290220 627590707 /nfs/dbraw/zinc/59/07/07/627590707.db2.gz SUTWQZOALRVRLT-UWVGGRQHSA-N 1 1 283.759 2.777 20 5 CFBDMO CO[C@@H]1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038765 634632809 /nfs/dbraw/zinc/63/28/09/634632809.db2.gz RHKUSQSVWLXGIA-UONOGXRCSA-N 1 1 278.352 2.637 20 5 CFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000776581898 628160227 /nfs/dbraw/zinc/16/02/27/628160227.db2.gz OMYRTFKQOSOZPC-CABCVRRESA-N 1 1 276.336 2.503 20 5 CFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579529 628160399 /nfs/dbraw/zinc/16/03/99/628160399.db2.gz MOAWOBQTATZVPG-RISCZKNCSA-N 1 1 290.319 2.914 20 5 CFBDMO CC[N@H+](Cc1ccoc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581317 628160799 /nfs/dbraw/zinc/16/07/99/628160799.db2.gz GUXDWUSQJOIAJK-OAHLLOKOSA-N 1 1 290.319 2.743 20 5 CFBDMO 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COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000866112526 638743248 /nfs/dbraw/zinc/74/32/48/638743248.db2.gz DXVPXGYMXJGDHU-UHFFFAOYSA-N 1 1 293.367 2.524 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000866195286 638767687 /nfs/dbraw/zinc/76/76/87/638767687.db2.gz QVMZFLVBBJCZJI-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866195286 638767689 /nfs/dbraw/zinc/76/76/89/638767689.db2.gz QVMZFLVBBJCZJI-OAHLLOKOSA-N 1 1 298.346 2.897 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207715 638770402 /nfs/dbraw/zinc/77/04/02/638770402.db2.gz JDYATYMFMBMXQR-CMPLNLGQSA-N 1 1 295.770 2.779 20 5 CFBDMO C[N@H+]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207950 638771076 /nfs/dbraw/zinc/77/10/76/638771076.db2.gz RYJRNHUYSPJNPO-CMPLNLGQSA-N 1 1 295.770 2.779 20 5 CFBDMO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209149 638771479 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CFBDMO COCC1([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000880184509 644568102 /nfs/dbraw/zinc/56/81/02/644568102.db2.gz JBYNNAIGXJWYIG-UHFFFAOYSA-N 1 1 282.315 2.735 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCOCC1 ZINC000094774854 650962933 /nfs/dbraw/zinc/96/29/33/650962933.db2.gz KFBZQYJITWIGMW-UHFFFAOYSA-N 1 1 282.315 2.592 20 5 CFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252213635 651000516 /nfs/dbraw/zinc/00/05/16/651000516.db2.gz XAZHCHIQDJYTEW-TYNCELHUSA-N 1 1 278.352 2.891 20 5 CFBDMO CC[N@H+]1CC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000882961161 645531931 /nfs/dbraw/zinc/53/19/31/645531931.db2.gz HGZXQDWKJBKKRW-CYBMUJFWSA-N 1 1 286.335 2.649 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000886038569 646834900 /nfs/dbraw/zinc/83/49/00/646834900.db2.gz YSHKZJSHYXQWHN-OAHLLOKOSA-N 1 1 283.331 2.807 20 5 CFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000886249642 646937199 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CCOc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000925739632 648305449 /nfs/dbraw/zinc/30/54/49/648305449.db2.gz BIWSNRVWNUQXHL-LLVKDONJSA-N 1 1 295.383 2.772 20 5 CFBDMO CCc1ccc(C2=CC[N@H+](CC[N+](=O)[O-])CC2)cc1 ZINC000930175446 649199107 /nfs/dbraw/zinc/19/91/07/649199107.db2.gz SWMBXALRRXQWTJ-UHFFFAOYSA-N 1 1 260.337 2.615 20 5 CFBDMO CCc1ccc(C2=CC[N@@H+](CC[N+](=O)[O-])CC2)cc1 ZINC000930175446 649199109 /nfs/dbraw/zinc/19/91/09/649199109.db2.gz SWMBXALRRXQWTJ-UHFFFAOYSA-N 1 1 260.337 2.615 20 5 CFBDMO COC/C(C)=C\C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930439488 649247867 /nfs/dbraw/zinc/24/78/67/649247867.db2.gz IMJOJUDYNIYJTC-JYRVWZFOSA-N 1 1 278.352 2.662 20 5 CFBDMO C[C@H](c1ncccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442881 649248424 /nfs/dbraw/zinc/24/84/24/649248424.db2.gz ZJNWRFDCHVLEHM-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@H](c1ncccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442881 649248427 /nfs/dbraw/zinc/24/84/27/649248427.db2.gz 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CFBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC001226293039 775770105 /nfs/dbraw/zinc/77/01/05/775770105.db2.gz RMPIEZYQXRVSSZ-CYBMUJFWSA-N 1 1 292.335 2.661 20 5 CFBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001226710003 775932320 /nfs/dbraw/zinc/93/23/20/775932320.db2.gz HULIBXZQHDGKMG-HNNXBMFYSA-N 1 1 299.330 2.643 20 5 CFBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915163 776016402 /nfs/dbraw/zinc/01/64/02/776016402.db2.gz FEGUDHCAGHTWEH-SNVBAGLBSA-N 1 1 299.758 2.895 20 5 CFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001167754374 776087297 /nfs/dbraw/zinc/08/72/97/776087297.db2.gz XCTNVQOUYDCKMU-LLVKDONJSA-N 1 1 296.346 2.805 20 5 CFBDMO CC[N@H+]1CCC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227235798 776149966 /nfs/dbraw/zinc/14/99/66/776149966.db2.gz KLFVBYUXGBAGPJ-JTQLQIEISA-N 1 1 291.307 2.599 20 5 CFBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523567 776218966 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Cc1cc(O[C@H]2CCC[N@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872627 778318035 /nfs/dbraw/zinc/31/80/35/778318035.db2.gz YSDGIPFYDRHFFF-ZDUSSCGKSA-N 1 1 278.352 2.993 20 5 CFBDMO Cc1c(C[NH2+]CC2(N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000160906743 778618458 /nfs/dbraw/zinc/61/84/58/778618458.db2.gz XGGFXJBTMAILFJ-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO C[C@H](OC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224817309 778705886 /nfs/dbraw/zinc/70/58/86/778705886.db2.gz MJNRWJHWAXXKRF-RYUDHWBXSA-N 1 1 264.325 2.767 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000700426672 780688683 /nfs/dbraw/zinc/68/86/83/780688683.db2.gz OATKVTSPEQDTFP-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000700426672 780688687 /nfs/dbraw/zinc/68/86/87/780688687.db2.gz OATKVTSPEQDTFP-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc1Cl ZINC000700636530 780711186 /nfs/dbraw/zinc/71/11/86/780711186.db2.gz WRCBAMHLMFVOPG-NWDGAFQWSA-N 1 1 296.754 2.717 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000710153479 781329049 /nfs/dbraw/zinc/32/90/49/781329049.db2.gz KKPGUAHCEMWCCD-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592565 349454016 /nfs/dbraw/zinc/45/40/16/349454016.db2.gz RSRKMJNYQMMBQN-UPJWGTAASA-N 1 1 293.367 2.504 20 5 CFBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592565 349454020 /nfs/dbraw/zinc/45/40/20/349454020.db2.gz RSRKMJNYQMMBQN-UPJWGTAASA-N 1 1 293.367 2.504 20 5 CFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594599423 349456819 /nfs/dbraw/zinc/45/68/19/349456819.db2.gz JSAGKPDFFGSYOA-KGLIPLIRSA-N 1 1 290.367 2.727 20 5 CFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594601969 349457771 /nfs/dbraw/zinc/45/77/71/349457771.db2.gz QDGDVNLDOMRGPO-OLZOCXBDSA-N 1 1 294.330 2.558 20 5 CFBDMO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594935474 349517628 /nfs/dbraw/zinc/51/76/28/349517628.db2.gz PUOPTAWTYOVUAB-LLVKDONJSA-N 1 1 286.335 2.588 20 5 CFBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083127050 178339665 /nfs/dbraw/zinc/33/96/65/178339665.db2.gz QHDFQLXNRFFMSW-SNVBAGLBSA-N 1 1 275.308 2.968 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595316890 349599856 /nfs/dbraw/zinc/59/98/56/349599856.db2.gz AORMVFRPXQPCCU-LLVKDONJSA-N 1 1 282.315 2.592 20 5 CFBDMO CCCCC[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313006 349600562 /nfs/dbraw/zinc/60/05/62/349600562.db2.gz OVBZJQPVZIGEEY-UHFFFAOYSA-N 1 1 284.331 2.718 20 5 CFBDMO Cc1noc(C[N@H+](C)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595287104 349591292 /nfs/dbraw/zinc/59/12/92/349591292.db2.gz LGQNWIGLQHLJII-UHFFFAOYSA-N 1 1 267.329 2.902 20 5 CFBDMO Cc1noc(C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595291295 349591923 /nfs/dbraw/zinc/59/19/23/349591923.db2.gz JFFHVVZZDBPGTI-UHFFFAOYSA-N 1 1 253.302 2.656 20 5 CFBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333342 349604507 /nfs/dbraw/zinc/60/45/07/349604507.db2.gz SDHLGGRPJWXGCO-WPRPVWTQSA-N 1 1 253.302 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000595297354 349594917 /nfs/dbraw/zinc/59/49/17/349594917.db2.gz RQPKIHUCBGIGAM-VIFPVBQESA-N 1 1 253.302 2.513 20 5 CFBDMO Cc1noc(C[N@H+](C)C(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595297716 349595857 /nfs/dbraw/zinc/59/58/57/349595857.db2.gz JOJRRRYGGKRPOA-UHFFFAOYSA-N 1 1 265.313 2.512 20 5 CFBDMO Cc1noc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595339964 349605446 /nfs/dbraw/zinc/60/54/46/349605446.db2.gz SEELDXDBEOWSJL-CMPLNLGQSA-N 1 1 297.380 2.751 20 5 CFBDMO Cc1noc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595339964 349605451 /nfs/dbraw/zinc/60/54/51/349605451.db2.gz SEELDXDBEOWSJL-CMPLNLGQSA-N 1 1 297.380 2.751 20 5 CFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000595394999 349616343 /nfs/dbraw/zinc/61/63/43/349616343.db2.gz TWICVIRYWWFGHN-UHFFFAOYSA-N 1 1 296.342 2.717 20 5 CFBDMO CCc1nocc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595417060 349618849 /nfs/dbraw/zinc/61/88/49/349618849.db2.gz XTNCPPUUPYZKFH-SNVBAGLBSA-N 1 1 275.308 2.996 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595403789 349617150 /nfs/dbraw/zinc/61/71/50/349617150.db2.gz IJEUAHROGLFCOF-NEPJUHHUSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1noc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595427165 349622515 /nfs/dbraw/zinc/62/25/15/349622515.db2.gz ROPWWIGYHURDKF-VIFPVBQESA-N 1 1 267.329 2.759 20 5 CFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595441950 349627981 /nfs/dbraw/zinc/62/79/81/349627981.db2.gz OBRGGMRFKWJPGG-LBPRGKRZSA-N 1 1 296.342 2.982 20 5 CFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595452138 349630597 /nfs/dbraw/zinc/63/05/97/349630597.db2.gz YJDMYXISUPGIAT-LLVKDONJSA-N 1 1 267.329 2.759 20 5 CFBDMO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000595462436 349634713 /nfs/dbraw/zinc/63/47/13/349634713.db2.gz UBMKDBZHPHGKSX-JQWIXIFHSA-N 1 1 297.355 2.528 20 5 CFBDMO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000595462436 349634715 /nfs/dbraw/zinc/63/47/15/349634715.db2.gz UBMKDBZHPHGKSX-JQWIXIFHSA-N 1 1 297.355 2.528 20 5 CFBDMO Cc1noc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513391 349648655 /nfs/dbraw/zinc/64/86/55/349648655.db2.gz UYNILSIHXVSEAR-RYUDHWBXSA-N 1 1 297.355 2.573 20 5 CFBDMO Cc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595561988 349660619 /nfs/dbraw/zinc/66/06/19/349660619.db2.gz HLZKHEGPNPVXCC-QWRGUYRKSA-N 1 1 265.313 2.656 20 5 CFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670151 349694984 /nfs/dbraw/zinc/69/49/84/349694984.db2.gz AGDBEWCOWWZNSY-CJNGLKHVSA-N 1 1 292.379 2.620 20 5 CFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673032 349695566 /nfs/dbraw/zinc/69/55/66/349695566.db2.gz JHYMVQQLLGQXEK-FZMZJTMJSA-N 1 1 296.342 2.717 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008482 187210297 /nfs/dbraw/zinc/21/02/97/187210297.db2.gz FOIWZAUNJGAJOK-AWEZNQCLSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1O ZINC000595737444 349720755 /nfs/dbraw/zinc/72/07/55/349720755.db2.gz BXGHFFBRLPRFGZ-NXEZZACHSA-N 1 1 298.770 2.697 20 5 CFBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704782 349711168 /nfs/dbraw/zinc/71/11/68/349711168.db2.gz VJTDFGRZERUMKZ-WFASDCNBSA-N 1 1 278.352 2.578 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595876263 349759776 /nfs/dbraw/zinc/75/97/76/349759776.db2.gz RHPBLEWXZYNQII-JMSVASOKSA-N 1 1 278.352 2.606 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1=CCSC1 ZINC000595890169 349763475 /nfs/dbraw/zinc/76/34/75/349763475.db2.gz YYWSFEUNMLWSLE-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1=CCSC1 ZINC000595890169 349763478 /nfs/dbraw/zinc/76/34/78/349763478.db2.gz YYWSFEUNMLWSLE-UHFFFAOYSA-N 1 1 294.376 2.708 20 5 CFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000595872550 349759105 /nfs/dbraw/zinc/75/91/05/349759105.db2.gz VGWRPYGLNISQQR-CQSZACIVSA-N 1 1 292.383 2.836 20 5 CFBDMO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596079632 349788900 /nfs/dbraw/zinc/78/89/00/349788900.db2.gz UYIWSAYLTXLPHR-JTQLQIEISA-N 1 1 281.381 2.861 20 5 CFBDMO CNC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105317 349795387 /nfs/dbraw/zinc/79/53/87/349795387.db2.gz KCDCBAGIJPPXPH-YDHLFZDLSA-N 1 1 291.395 2.504 20 5 CFBDMO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596105317 349795393 /nfs/dbraw/zinc/79/53/93/349795393.db2.gz KCDCBAGIJPPXPH-YDHLFZDLSA-N 1 1 291.395 2.504 20 5 CFBDMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596129151 349801397 /nfs/dbraw/zinc/80/13/97/349801397.db2.gz OFXWAJXLCGGWCN-LLVKDONJSA-N 1 1 283.397 2.743 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072869525 346945139 /nfs/dbraw/zinc/94/51/39/346945139.db2.gz KOKJWHUSPCHPNG-TUAOUCFPSA-N 1 1 291.351 2.510 20 5 CFBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295014841 199300970 /nfs/dbraw/zinc/30/09/70/199300970.db2.gz MNZDZIGJSYPDFS-AWEZNQCLSA-N 1 1 278.352 2.842 20 5 CFBDMO COc1cccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309867 349860084 /nfs/dbraw/zinc/86/00/84/349860084.db2.gz YVTZSKOAJXWJKD-NSHDSACASA-N 1 1 293.367 2.888 20 5 CFBDMO Cc1cc(OCCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596281063 349852104 /nfs/dbraw/zinc/85/21/04/349852104.db2.gz LRSJJTASFMCYMT-UHFFFAOYSA-N 1 1 295.726 2.912 20 5 CFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000596306565 349858074 /nfs/dbraw/zinc/85/80/74/349858074.db2.gz GFPZKDIUBKVSNP-VIFPVBQESA-N 1 1 269.370 2.941 20 5 CFBDMO Cc1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000219298858 539364061 /nfs/dbraw/zinc/36/40/61/539364061.db2.gz KDFLBEGQSNNZFR-KGLIPLIRSA-N 1 1 275.352 2.942 20 5 CFBDMO Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074740790 347029841 /nfs/dbraw/zinc/02/98/41/347029841.db2.gz ACPFCNYOYFOPDE-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO C[N@H+]1CCC[C@H](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000413441652 530061001 /nfs/dbraw/zinc/06/10/01/530061001.db2.gz PYOWBEIATGMBIH-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000295089338 199340556 /nfs/dbraw/zinc/34/05/56/199340556.db2.gz FDWJLYSLBSUBJN-LLVKDONJSA-N 1 1 296.367 2.585 20 5 CFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000016446287 232171869 /nfs/dbraw/zinc/17/18/69/232171869.db2.gz YYILLUDXOMWJBE-NEPJUHHUSA-N 1 1 291.351 2.654 20 5 CFBDMO CCC[N@H+]1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000596515998 349927500 /nfs/dbraw/zinc/92/75/00/349927500.db2.gz BKFQTFAFAAHAJF-LBPRGKRZSA-N 1 1 278.356 2.503 20 5 CFBDMO COCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000125874964 232202105 /nfs/dbraw/zinc/20/21/05/232202105.db2.gz UVJPCRZZXILXLC-UHFFFAOYSA-N 1 1 276.292 2.624 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596542633 349936385 /nfs/dbraw/zinc/93/63/85/349936385.db2.gz NEXQHTMAZKYBFR-UHFFFAOYSA-N 1 1 284.335 2.661 20 5 CFBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000596542180 349936602 /nfs/dbraw/zinc/93/66/02/349936602.db2.gz KAVMNHISLHHIHZ-UHFFFAOYSA-N 1 1 272.374 2.584 20 5 CFBDMO COC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618074 347088415 /nfs/dbraw/zinc/08/84/15/347088415.db2.gz FDJOONDHNWZTBY-LLVKDONJSA-N 1 1 292.335 2.541 20 5 CFBDMO Cc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000037649785 346332807 /nfs/dbraw/zinc/33/28/07/346332807.db2.gz WZLVLZURSRHFFD-LBPRGKRZSA-N 1 1 275.352 2.799 20 5 CFBDMO C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046055662 346418885 /nfs/dbraw/zinc/41/88/85/346418885.db2.gz LTPSZUNWOITFOD-LBPRGKRZSA-N 1 1 264.325 2.848 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000053582864 346549963 /nfs/dbraw/zinc/54/99/63/346549963.db2.gz YHGRNJYSWIFMIU-UHFFFAOYSA-N 1 1 286.335 2.534 20 5 CFBDMO COc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000075895277 347107375 /nfs/dbraw/zinc/10/73/75/347107375.db2.gz PCHOXWGBHSJKDZ-PHIMTYICSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000075895277 347107379 /nfs/dbraw/zinc/10/73/79/347107379.db2.gz PCHOXWGBHSJKDZ-PHIMTYICSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000076744721 347151161 /nfs/dbraw/zinc/15/11/61/347151161.db2.gz XIMMZWWQXUFPRE-RYUDHWBXSA-N 1 1 278.356 2.665 20 5 CFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000078246726 347234225 /nfs/dbraw/zinc/23/42/25/347234225.db2.gz BMRHFPGZPYBVTI-HNNXBMFYSA-N 1 1 298.346 2.676 20 5 CFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078563123 347261809 /nfs/dbraw/zinc/26/18/09/347261809.db2.gz VGIPOAQSWYWISK-GFCCVEGCSA-N 1 1 295.358 2.902 20 5 CFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078868186 347277041 /nfs/dbraw/zinc/27/70/41/347277041.db2.gz ZWKZKKSYWLMGBF-GFCCVEGCSA-N 1 1 293.367 2.678 20 5 CFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605452 347368651 /nfs/dbraw/zinc/36/86/51/347368651.db2.gz REONFIBQIWJMHQ-CYBMUJFWSA-N 1 1 292.383 2.975 20 5 CFBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605373 347368896 /nfs/dbraw/zinc/36/88/96/347368896.db2.gz CMBLDEKYPQADEU-LBPRGKRZSA-N 1 1 278.356 2.585 20 5 CFBDMO CC(C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169556 347448827 /nfs/dbraw/zinc/44/88/27/347448827.db2.gz HPZPJRQLVRRAHB-UHFFFAOYSA-N 1 1 263.297 2.824 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000088721473 347507747 /nfs/dbraw/zinc/50/77/47/347507747.db2.gz LSXJANJGEFNFDF-CYBMUJFWSA-N 1 1 275.352 2.799 20 5 CFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000091457565 347587762 /nfs/dbraw/zinc/58/77/62/347587762.db2.gz YPZJIBYQJJNMLC-GFCCVEGCSA-N 1 1 293.367 2.747 20 5 CFBDMO Cc1cc(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652098 347636386 /nfs/dbraw/zinc/63/63/86/347636386.db2.gz ISJVZSDGGAXTCP-CQSZACIVSA-N 1 1 275.352 2.799 20 5 CFBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000092649569 347636614 /nfs/dbraw/zinc/63/66/14/347636614.db2.gz ZHXNFFYEFDCWSH-VIFPVBQESA-N 1 1 297.330 2.637 20 5 CFBDMO Cc1c(C[N@H+]2CCCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000156962273 347997790 /nfs/dbraw/zinc/99/77/90/347997790.db2.gz YXCUVIKWPZSJLX-AWEZNQCLSA-N 1 1 278.352 2.640 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000173489081 348109112 /nfs/dbraw/zinc/10/91/12/348109112.db2.gz FERSNDAQURPROP-LLVKDONJSA-N 1 1 294.351 2.713 20 5 CFBDMO C[C@H]([NH2+]Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000404391267 348591197 /nfs/dbraw/zinc/59/11/97/348591197.db2.gz PPLGVDKHDAKFBF-VIFPVBQESA-N 1 1 263.322 2.902 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)C2CC2)c(Cl)c1 ZINC000404333842 348591552 /nfs/dbraw/zinc/59/15/52/348591552.db2.gz DTOSNCLBYDBBPD-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCO)C2CC2)c(Cl)c1 ZINC000404333842 348591553 /nfs/dbraw/zinc/59/15/53/348591553.db2.gz DTOSNCLBYDBBPD-UHFFFAOYSA-N 1 1 284.743 2.595 20 5 CFBDMO Cc1ccnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000586773240 348750357 /nfs/dbraw/zinc/75/03/57/348750357.db2.gz FTOOQHIYWCKADR-UHFFFAOYSA-N 1 1 285.347 2.973 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000589183630 348816837 /nfs/dbraw/zinc/81/68/37/348816837.db2.gz ASGOVHNJPFXRLV-UHFFFAOYSA-N 1 1 286.331 2.975 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000589494687 348835919 /nfs/dbraw/zinc/83/59/19/348835919.db2.gz YFJLJQFRHAQXOX-LLVKDONJSA-N 1 1 292.335 2.613 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496278 348836133 /nfs/dbraw/zinc/83/61/33/348836133.db2.gz FJXOXJLPKOJFPT-JTQLQIEISA-N 1 1 280.324 2.612 20 5 CFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000589501676 348836215 /nfs/dbraw/zinc/83/62/15/348836215.db2.gz AWKFDORQDZXAHN-GHMZBOCLSA-N 1 1 292.335 2.612 20 5 CFBDMO Cc1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584233 348839597 /nfs/dbraw/zinc/83/95/97/348839597.db2.gz LAWSBIQZFOANQY-NWDGAFQWSA-N 1 1 275.352 2.940 20 5 CFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589598951 348841049 /nfs/dbraw/zinc/84/10/49/348841049.db2.gz QFEIKFKTSDYAHK-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589609000 348842914 /nfs/dbraw/zinc/84/29/14/348842914.db2.gz DGHXSLSVRGMONO-LLVKDONJSA-N 1 1 266.345 2.522 20 5 CFBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000589689983 348850883 /nfs/dbraw/zinc/85/08/83/348850883.db2.gz QEMJUDCDZXHOIO-NSHDSACASA-N 1 1 281.331 2.573 20 5 CFBDMO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590723783 348937019 /nfs/dbraw/zinc/93/70/19/348937019.db2.gz PNXXQMRZCGNQJD-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590723783 348937023 /nfs/dbraw/zinc/93/70/23/348937023.db2.gz PNXXQMRZCGNQJD-SNVBAGLBSA-N 1 1 298.774 2.564 20 5 CFBDMO C[N@@H+](CCCCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000591166356 348996152 /nfs/dbraw/zinc/99/61/52/348996152.db2.gz ATPZSLMOUIXXOO-UHFFFAOYSA-N 1 1 269.370 2.943 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000592141852 349090118 /nfs/dbraw/zinc/09/01/18/349090118.db2.gz PWTWKGMNGOZYLC-HIFRSBDPSA-N 1 1 276.336 2.514 20 5 CFBDMO C[N@@H+](CCC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592145526 349090274 /nfs/dbraw/zinc/09/02/74/349090274.db2.gz XHBIQFAWNPAQDE-UHFFFAOYSA-N 1 1 293.367 2.562 20 5 CFBDMO C[C@@H]1CC2(C[N@H+]1Cc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182436 349095794 /nfs/dbraw/zinc/09/57/94/349095794.db2.gz AESZUROGLBBNMQ-CYBMUJFWSA-N 1 1 290.363 2.986 20 5 CFBDMO Nc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000592430810 349118688 /nfs/dbraw/zinc/11/86/88/349118688.db2.gz GPINJMBIRUFXOW-UHFFFAOYSA-N 1 1 298.346 2.567 20 5 CFBDMO Nc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000592430810 349118692 /nfs/dbraw/zinc/11/86/92/349118692.db2.gz GPINJMBIRUFXOW-UHFFFAOYSA-N 1 1 298.346 2.567 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cs1 ZINC000593115418 349212125 /nfs/dbraw/zinc/21/21/25/349212125.db2.gz JESWCSWHVKINEL-SNVBAGLBSA-N 1 1 274.292 2.887 20 5 CFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cs1 ZINC000593115418 349212129 /nfs/dbraw/zinc/21/21/29/349212129.db2.gz JESWCSWHVKINEL-SNVBAGLBSA-N 1 1 274.292 2.887 20 5 CFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000593068827 349201618 /nfs/dbraw/zinc/20/16/18/349201618.db2.gz PMEKOWBZVXAEAJ-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO Cc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317797 349246679 /nfs/dbraw/zinc/24/66/79/349246679.db2.gz YOYINBVHOVRYFV-DOMZBBRYSA-N 1 1 291.395 2.853 20 5 CFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593665428 349307080 /nfs/dbraw/zinc/30/70/80/349307080.db2.gz CIDUEMVIZHUWOV-IUODEOHRSA-N 1 1 278.352 2.903 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593665428 349307084 /nfs/dbraw/zinc/30/70/84/349307084.db2.gz CIDUEMVIZHUWOV-IUODEOHRSA-N 1 1 278.352 2.903 20 5 CFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694751 349311186 /nfs/dbraw/zinc/31/11/86/349311186.db2.gz RJPJFHKSEJGMLV-LBPRGKRZSA-N 1 1 280.368 2.921 20 5 CFBDMO C[C@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000597249657 350072511 /nfs/dbraw/zinc/07/25/11/350072511.db2.gz XKOKYXVTAJARMP-LRDDRELGSA-N 1 1 286.331 2.807 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414473603 233263242 /nfs/dbraw/zinc/26/32/42/233263242.db2.gz BELQRSWOBFHLMG-BOTMBNHJSA-N 1 1 294.326 2.668 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCO[C@H](CF)C1 ZINC000414473603 233263243 /nfs/dbraw/zinc/26/32/43/233263243.db2.gz BELQRSWOBFHLMG-BOTMBNHJSA-N 1 1 294.326 2.668 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC2(COC2)C1 ZINC000597228191 350064127 /nfs/dbraw/zinc/06/41/27/350064127.db2.gz AWLZEDUSANXVNG-QPEQYQDCSA-N 1 1 288.347 2.720 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597231701 350065436 /nfs/dbraw/zinc/06/54/36/350065436.db2.gz PSAJTAOHMFFBJY-OGCZOTBESA-N 1 1 288.347 2.576 20 5 CFBDMO Cc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104666140 186012657 /nfs/dbraw/zinc/01/26/57/186012657.db2.gz MXPIPRYRVXLIPY-UHFFFAOYSA-N 1 1 275.308 2.935 20 5 CFBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000271309173 191064794 /nfs/dbraw/zinc/06/47/94/191064794.db2.gz LYIJZQHYKFYEJH-GXTWGEPZSA-N 1 1 277.368 2.822 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1cnccn1 ZINC000271324413 191074355 /nfs/dbraw/zinc/07/43/55/191074355.db2.gz KMJMYTNNFZEIFP-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO C[C@@H]([NH3+])c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000414809358 233360729 /nfs/dbraw/zinc/36/07/29/233360729.db2.gz MHUZFFSPYYVLTH-GFCCVEGCSA-N 1 1 285.347 2.904 20 5 CFBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598648327 350301672 /nfs/dbraw/zinc/30/16/72/350301672.db2.gz GEEBVHIFKVWFBG-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598648327 350301676 /nfs/dbraw/zinc/30/16/76/350301676.db2.gz GEEBVHIFKVWFBG-PWSUYJOCSA-N 1 1 298.770 2.699 20 5 CFBDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959919 180292182 /nfs/dbraw/zinc/29/21/82/180292182.db2.gz QTEYNMBNUPVINV-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959919 180292183 /nfs/dbraw/zinc/29/21/83/180292183.db2.gz QTEYNMBNUPVINV-OBJOEFQTSA-N 1 1 277.368 2.728 20 5 CFBDMO C[N@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599041869 350363427 /nfs/dbraw/zinc/36/34/27/350363427.db2.gz XJDGFWXDBCQCOM-NSHDSACASA-N 1 1 286.335 2.507 20 5 CFBDMO C[N@H+]1CCCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599140691 350382895 /nfs/dbraw/zinc/38/28/95/350382895.db2.gz XNXNNPUXFPQWNR-LLVKDONJSA-N 1 1 281.331 2.878 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000599139849 350383038 /nfs/dbraw/zinc/38/30/38/350383038.db2.gz RCLUUEFECZLCLG-CYBMUJFWSA-N 1 1 292.383 2.750 20 5 CFBDMO COCCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599507229 350447754 /nfs/dbraw/zinc/44/77/54/350447754.db2.gz SVDCXMIZOKZWSG-UHFFFAOYSA-N 1 1 296.342 2.982 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(Cl)c1 ZINC000599685439 350482263 /nfs/dbraw/zinc/48/22/63/350482263.db2.gz WWLRUKNYLGVYBJ-CUOATXAZSA-N 1 1 296.754 2.593 20 5 CFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107695854 186186854 /nfs/dbraw/zinc/18/68/54/186186854.db2.gz WBORLQPUGPKPKW-SNVBAGLBSA-N 1 1 270.354 2.515 20 5 CFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107692500 186187525 /nfs/dbraw/zinc/18/75/25/186187525.db2.gz BPNCOFBMKOHOEY-CYBMUJFWSA-N 1 1 278.352 2.762 20 5 CFBDMO COc1cc(Cn2cc[nH+]c2C2CC2)ccc1[N+](=O)[O-] ZINC000600612267 350580198 /nfs/dbraw/zinc/58/01/98/350580198.db2.gz ZZYNUXIIIQAIMQ-UHFFFAOYSA-N 1 1 273.292 2.726 20 5 CFBDMO C[C@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601136316 350679220 /nfs/dbraw/zinc/67/92/20/350679220.db2.gz CPJWGXSVOVJAMY-WDEREUQCSA-N 1 1 287.319 2.544 20 5 CFBDMO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000601189718 350692299 /nfs/dbraw/zinc/69/22/99/350692299.db2.gz MFDVNIXRQKQUES-NWDGAFQWSA-N 1 1 294.330 2.558 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602027462 350835173 /nfs/dbraw/zinc/83/51/73/350835173.db2.gz SRGDRGVPSZCXQR-CQSZACIVSA-N 1 1 289.335 2.550 20 5 CFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000602027462 350835175 /nfs/dbraw/zinc/83/51/75/350835175.db2.gz SRGDRGVPSZCXQR-CQSZACIVSA-N 1 1 289.335 2.550 20 5 CFBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111275665 186387548 /nfs/dbraw/zinc/38/75/48/186387548.db2.gz GPSPAFHQLGLIAV-WFASDCNBSA-N 1 1 278.352 2.637 20 5 CFBDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602482030 350901292 /nfs/dbraw/zinc/90/12/92/350901292.db2.gz FGFOFNFIEXVNNB-ZDUSSCGKSA-N 1 1 280.372 2.729 20 5 CFBDMO CC1CCC([N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)CC1 ZINC000602441561 350885404 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Cc1ccc(C)c(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602634842 350955024 /nfs/dbraw/zinc/95/50/24/350955024.db2.gz BLTFMQDYCPOWAO-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO Cc1ccc(C)c(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602634842 350955026 /nfs/dbraw/zinc/95/50/26/350955026.db2.gz BLTFMQDYCPOWAO-UHFFFAOYSA-N 1 1 288.351 2.577 20 5 CFBDMO CCN(C#N)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602764224 351016786 /nfs/dbraw/zinc/01/67/86/351016786.db2.gz NOOJSYSTLRPJTD-UHFFFAOYSA-N 1 1 290.367 2.608 20 5 CFBDMO CCN(C#N)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602764224 351016787 /nfs/dbraw/zinc/01/67/87/351016787.db2.gz NOOJSYSTLRPJTD-UHFFFAOYSA-N 1 1 290.367 2.608 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000602770692 351019443 /nfs/dbraw/zinc/01/94/43/351019443.db2.gz XXCZWSNWVUPTMR-ZDUSSCGKSA-N 1 1 280.372 2.610 20 5 CFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000602787023 351024892 /nfs/dbraw/zinc/02/48/92/351024892.db2.gz 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CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611271600 351661115 /nfs/dbraw/zinc/66/11/15/351661115.db2.gz KHFPFSWAAJZPMI-UHFFFAOYSA-N 1 1 292.335 2.598 20 5 CFBDMO CC[N@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611516709 351702617 /nfs/dbraw/zinc/70/26/17/351702617.db2.gz DENTZBZECLWCBZ-UONOGXRCSA-N 1 1 291.395 2.990 20 5 CFBDMO CC[N@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611516707 351702659 /nfs/dbraw/zinc/70/26/59/351702659.db2.gz DENTZBZECLWCBZ-KBPBESRZSA-N 1 1 291.395 2.990 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611578776 351711660 /nfs/dbraw/zinc/71/16/60/351711660.db2.gz RZPITYZQNPNICW-LBPRGKRZSA-N 1 1 286.278 2.798 20 5 CFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611578776 351711663 /nfs/dbraw/zinc/71/16/63/351711663.db2.gz RZPITYZQNPNICW-LBPRGKRZSA-N 1 1 286.278 2.798 20 5 CFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295159213 199378729 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CFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532703 191195497 /nfs/dbraw/zinc/19/54/97/191195497.db2.gz MNKNKEATFJUTRV-KYOSRNDESA-N 1 1 278.352 2.891 20 5 CFBDMO CCOc1cc(C[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000617219543 352519840 /nfs/dbraw/zinc/51/98/40/352519840.db2.gz OZUKKSQJTAGWMT-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO CCOc1cc(C[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000617219543 352519843 /nfs/dbraw/zinc/51/98/43/352519843.db2.gz OZUKKSQJTAGWMT-UHFFFAOYSA-N 1 1 262.309 2.755 20 5 CFBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000271575218 191221735 /nfs/dbraw/zinc/22/17/35/191221735.db2.gz WGNOPGGBERIGLY-LBPRGKRZSA-N 1 1 286.335 2.852 20 5 CFBDMO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ncn1 ZINC000618572322 352814703 /nfs/dbraw/zinc/81/47/03/352814703.db2.gz TYINSGSZPBPMAG-INIZCTEOSA-N 1 1 298.346 2.860 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H](C)CO ZINC000292164070 198187057 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CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301567195 201071600 /nfs/dbraw/zinc/07/16/00/201071600.db2.gz WPZUSQWHROSIIO-CYBMUJFWSA-N 1 1 293.367 2.890 20 5 CFBDMO Cc1nc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653868 201119607 /nfs/dbraw/zinc/11/96/07/201119607.db2.gz RIZWVSLFJZDNPQ-NWDGAFQWSA-N 1 1 292.383 2.831 20 5 CFBDMO COc1cc(C[N@@H+](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000184223694 189380288 /nfs/dbraw/zinc/38/02/88/189380288.db2.gz AMRJBWAYYRGQFE-UHFFFAOYSA-N 1 1 268.288 2.727 20 5 CFBDMO O=[N+]([O-])c1ccc(NCCNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000301871623 201242101 /nfs/dbraw/zinc/24/21/01/201242101.db2.gz IWUSTPRYKQVMEA-UHFFFAOYSA-N 1 1 297.318 2.995 20 5 CFBDMO CC[N@H+]1CCCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000301930751 201266583 /nfs/dbraw/zinc/26/65/83/201266583.db2.gz KVYZPHCUVQPDAB-SNVBAGLBSA-N 1 1 269.370 2.943 20 5 CFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275859755 193149609 /nfs/dbraw/zinc/14/96/09/193149609.db2.gz MKJNPMUVXXNQLE-JOCQHMNTSA-N 1 1 298.770 2.984 20 5 CFBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588157 241149526 /nfs/dbraw/zinc/14/95/26/241149526.db2.gz DKTSIELMMOBGDJ-JTQLQIEISA-N 1 1 276.340 2.947 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000444681838 241165816 /nfs/dbraw/zinc/16/58/16/241165816.db2.gz XEDWRSDGBDAABV-IINYFYTJSA-N 1 1 286.335 2.846 20 5 CFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000444681837 241167893 /nfs/dbraw/zinc/16/78/93/241167893.db2.gz XEDWRSDGBDAABV-HZMBPMFUSA-N 1 1 286.335 2.846 20 5 CFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC23CCC3)cc1 ZINC000444773152 241190456 /nfs/dbraw/zinc/19/04/56/241190456.db2.gz CPFGLRIYEMGFSU-UHFFFAOYSA-N 1 1 276.336 2.992 20 5 CFBDMO CC(C)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000446730394 241320303 /nfs/dbraw/zinc/32/03/03/241320303.db2.gz VNYMXKURUZNUNN-ZDUSSCGKSA-N 1 1 278.352 2.952 20 5 CFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000447801428 241411561 /nfs/dbraw/zinc/41/15/61/241411561.db2.gz CERCIRMXPFOECL-LBPRGKRZSA-N 1 1 278.356 2.522 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000449592849 242056218 /nfs/dbraw/zinc/05/62/18/242056218.db2.gz ZBSNVQUIXDEDFP-CQSZACIVSA-N 1 1 280.368 2.824 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000449549841 242020215 /nfs/dbraw/zinc/02/02/15/242020215.db2.gz AWHPMKPPOQEPAX-IIAWOOMASA-N 1 1 290.363 2.578 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449687447 242109975 /nfs/dbraw/zinc/10/99/75/242109975.db2.gz PNYLXUORBLBCEE-OAHLLOKOSA-N 1 1 276.336 2.597 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c(Cl)c1 ZINC000449793860 242169953 /nfs/dbraw/zinc/16/99/53/242169953.db2.gz YLSNBCTXLIHINZ-LLVKDONJSA-N 1 1 298.770 2.843 20 5 CFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275897033 193158534 /nfs/dbraw/zinc/15/85/34/193158534.db2.gz CNVRESRGGSNOLH-JDCQKFBDSA-N 1 1 290.363 2.843 20 5 CFBDMO C[C@@H](CO)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276418192 193322706 /nfs/dbraw/zinc/32/27/06/193322706.db2.gz HZTHDPRFPGZLHV-LBPRGKRZSA-N 1 1 278.352 2.720 20 5 CFBDMO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956039 245374474 /nfs/dbraw/zinc/37/44/74/245374474.db2.gz GNQYMFAUVXTJPU-YGRLFVJLSA-N 1 1 293.342 2.937 20 5 CFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991743 372269578 /nfs/dbraw/zinc/26/95/78/372269578.db2.gz WJTRQCNAYVHFJE-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO Cc1n[nH]cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000038011333 372762709 /nfs/dbraw/zinc/76/27/09/372762709.db2.gz GEHDVDIWHAJJJX-UHFFFAOYSA-N 1 1 280.715 2.570 20 5 CFBDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049442737 373297424 /nfs/dbraw/zinc/29/74/24/373297424.db2.gz PCOPEIPQSOMJKZ-NSHDSACASA-N 1 1 279.340 2.510 20 5 CFBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051149553 373388968 /nfs/dbraw/zinc/38/89/68/373388968.db2.gz CWQPDUILJMBOMS-LLVKDONJSA-N 1 1 264.325 2.835 20 5 CFBDMO COCCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051455066 373396598 /nfs/dbraw/zinc/39/65/98/373396598.db2.gz CHUWOPFGUYFHGP-NSHDSACASA-N 1 1 252.314 2.624 20 5 CFBDMO Cc1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000054128483 373499428 /nfs/dbraw/zinc/49/94/28/373499428.db2.gz VHAIGUQYMVFQHW-UHFFFAOYSA-N 1 1 251.330 2.655 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068449929 374029721 /nfs/dbraw/zinc/02/97/21/374029721.db2.gz RBXXKRUPEVEXMO-VIFPVBQESA-N 1 1 299.758 2.917 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000068451178 374030810 /nfs/dbraw/zinc/03/08/10/374030810.db2.gz MZAXNDZNIDCLTH-JTQLQIEISA-N 1 1 290.323 2.875 20 5 CFBDMO CC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072601538 374268852 /nfs/dbraw/zinc/26/88/52/374268852.db2.gz KCMUEFPINNAPAD-JTQLQIEISA-N 1 1 290.323 2.875 20 5 CFBDMO C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072876056 374297770 /nfs/dbraw/zinc/29/77/70/374297770.db2.gz OITSMSHJSNGUJV-JTQLQIEISA-N 1 1 288.307 2.629 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975529 374310347 /nfs/dbraw/zinc/31/03/47/374310347.db2.gz IHSNKFVWADXDHC-OAHLLOKOSA-N 1 1 292.379 2.886 20 5 CFBDMO CCOC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000072975878 374310358 /nfs/dbraw/zinc/31/03/58/374310358.db2.gz DJZMPCWCYANMMC-LLVKDONJSA-N 1 1 284.381 2.905 20 5 CFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000072975878 374310360 /nfs/dbraw/zinc/31/03/60/374310360.db2.gz DJZMPCWCYANMMC-LLVKDONJSA-N 1 1 284.381 2.905 20 5 CFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081571647 374705599 /nfs/dbraw/zinc/70/55/99/374705599.db2.gz PMAIUZUCEPUJGG-HNNXBMFYSA-N 1 1 291.395 2.759 20 5 CFBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000090529871 375019828 /nfs/dbraw/zinc/01/98/28/375019828.db2.gz RNJKZTJRXFOWBK-JQWIXIFHSA-N 1 1 288.351 2.908 20 5 CFBDMO CSCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093509426 375260225 /nfs/dbraw/zinc/26/02/25/375260225.db2.gz NPXOOAKFHPORBE-FNORWQNLSA-N 1 1 266.366 2.903 20 5 CFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCCO1 ZINC000094774501 375377608 /nfs/dbraw/zinc/37/76/08/375377608.db2.gz BAJODGFFAYFUBR-LBPRGKRZSA-N 1 1 282.315 2.735 20 5 CFBDMO CCC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112408610 375917660 /nfs/dbraw/zinc/91/76/60/375917660.db2.gz MYLNBTIFQXZVPJ-UHFFFAOYSA-N 1 1 277.368 2.513 20 5 CFBDMO Cc1c(C[N@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000119026997 376338313 /nfs/dbraw/zinc/33/83/13/376338313.db2.gz CSKGVIUDAIZIQA-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO Cc1c(C[N@@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000119026997 376338316 /nfs/dbraw/zinc/33/83/16/376338316.db2.gz CSKGVIUDAIZIQA-UHFFFAOYSA-N 1 1 271.320 2.930 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118415431 376295063 /nfs/dbraw/zinc/29/50/63/376295063.db2.gz XHVNYGDVJSNQFP-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118415431 376295067 /nfs/dbraw/zinc/29/50/67/376295067.db2.gz XHVNYGDVJSNQFP-QWRGUYRKSA-N 1 1 296.392 2.929 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119905946 376502001 /nfs/dbraw/zinc/50/20/01/376502001.db2.gz RQXHBKKLNDVJNO-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119905946 376502005 /nfs/dbraw/zinc/50/20/05/376502005.db2.gz RQXHBKKLNDVJNO-CQSZACIVSA-N 1 1 296.342 2.981 20 5 CFBDMO C[C@@H]1C[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000121738420 376896065 /nfs/dbraw/zinc/89/60/65/376896065.db2.gz PXXWBEJQFBSEAQ-NXEZZACHSA-N 1 1 299.321 2.792 20 5 CFBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000125580537 377172490 /nfs/dbraw/zinc/17/24/90/377172490.db2.gz AXYPPLPHMFKANL-JTQLQIEISA-N 1 1 252.289 2.966 20 5 CFBDMO CC(C)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130080370 377507824 /nfs/dbraw/zinc/50/78/24/377507824.db2.gz NLOOCKVTGCJIEO-UHFFFAOYSA-N 1 1 278.352 2.984 20 5 CFBDMO CC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130898538 377627038 /nfs/dbraw/zinc/62/70/38/377627038.db2.gz QYKCKGNPKRRXAD-UHFFFAOYSA-N 1 1 262.309 2.538 20 5 CFBDMO CCC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131577585 377731729 /nfs/dbraw/zinc/73/17/29/377731729.db2.gz PMHYEHVJLOKCPN-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO CCC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131577585 377731735 /nfs/dbraw/zinc/73/17/35/377731735.db2.gz PMHYEHVJLOKCPN-OAHLLOKOSA-N 1 1 278.352 2.638 20 5 CFBDMO CCOc1cccc(NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000134902800 378060471 /nfs/dbraw/zinc/06/04/71/378060471.db2.gz PYKNNXCTXYNGGT-GFCCVEGCSA-N 1 1 293.367 2.890 20 5 CFBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336911 378120624 /nfs/dbraw/zinc/12/06/24/378120624.db2.gz TVLKDGYZLFLEQT-STQMWFEESA-N 1 1 280.372 2.692 20 5 CFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000135277193 378108392 /nfs/dbraw/zinc/10/83/92/378108392.db2.gz YVLVTZRNCUXYJX-UHFFFAOYSA-N 1 1 264.325 2.706 20 5 CFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000136297367 378194535 /nfs/dbraw/zinc/19/45/35/378194535.db2.gz UWXFBHZOYZRTGY-UHFFFAOYSA-N 1 1 288.351 2.622 20 5 CFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153971788 378527412 /nfs/dbraw/zinc/52/74/12/378527412.db2.gz FNNQXUORARWWQK-AWEZNQCLSA-N 1 1 296.754 2.861 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332297606 378744325 /nfs/dbraw/zinc/74/43/25/378744325.db2.gz URWJKGTYWIZFGH-NWDGAFQWSA-N 1 1 264.325 2.624 20 5 CFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045626 378720451 /nfs/dbraw/zinc/72/04/51/378720451.db2.gz LPABCJZBNQPZGV-GHMZBOCLSA-N 1 1 292.335 2.692 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC000159786203 378730583 /nfs/dbraw/zinc/73/05/83/378730583.db2.gz WJKDOGIHTFTAMD-TXEJJXNPSA-N 1 1 264.300 2.966 20 5 CFBDMO O=C1CCC(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332525232 378773099 /nfs/dbraw/zinc/77/30/99/378773099.db2.gz RQXISKYIUISYID-UHFFFAOYSA-N 1 1 288.347 2.712 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160754412 378796958 /nfs/dbraw/zinc/79/69/58/378796958.db2.gz WEQJSGLLYOPVIN-GDBMZVCRSA-N 1 1 290.363 2.722 20 5 CFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnccc1C ZINC000162750413 378930893 /nfs/dbraw/zinc/93/08/93/378930893.db2.gz KYOROFLZYOFMAB-UHFFFAOYSA-N 1 1 287.319 2.597 20 5 CFBDMO C[C@H]([NH2+]Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000163889248 378995221 /nfs/dbraw/zinc/99/52/21/378995221.db2.gz SQGWGCXHNBCGOW-VIFPVBQESA-N 1 1 263.322 2.902 20 5 CFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000571861374 383733904 /nfs/dbraw/zinc/73/39/04/383733904.db2.gz TYSAIISPUMUPAC-WDEREUQCSA-N 1 1 296.346 2.661 20 5 CFBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171690673 379373673 /nfs/dbraw/zinc/37/36/73/379373673.db2.gz HRTCGKYNISSLDC-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171690673 379373678 /nfs/dbraw/zinc/37/36/78/379373678.db2.gz HRTCGKYNISSLDC-SNVBAGLBSA-N 1 1 252.339 2.532 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000171948822 379447327 /nfs/dbraw/zinc/44/73/27/379447327.db2.gz AAJXZSKHEKSKGY-NSHDSACASA-N 1 1 293.367 2.820 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171949792 379448388 /nfs/dbraw/zinc/44/83/88/379448388.db2.gz JCBAEEVXBQPQHN-LBPRGKRZSA-N 1 1 293.367 2.901 20 5 CFBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000173947684 379803720 /nfs/dbraw/zinc/80/37/20/379803720.db2.gz PUZZXOQBPNIEGM-OAHLLOKOSA-N 1 1 291.395 2.901 20 5 CFBDMO CCC[C@@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882175 379955258 /nfs/dbraw/zinc/95/52/58/379955258.db2.gz VHUBQDZJHVISKI-AWEZNQCLSA-N 1 1 280.372 2.694 20 5 CFBDMO CC[C@H](C)[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231793 380199757 /nfs/dbraw/zinc/19/97/57/380199757.db2.gz NVMANCPEWMNFGP-NWDGAFQWSA-N 1 1 280.372 2.690 20 5 CFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000452112257 383745742 /nfs/dbraw/zinc/74/57/42/383745742.db2.gz FOYFYIKDKVSPKD-LBPRGKRZSA-N 1 1 295.358 2.648 20 5 CFBDMO Cc1c([C@@H](C)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178309487 380433753 /nfs/dbraw/zinc/43/37/53/380433753.db2.gz NKCNNUZXOYKIBF-CYBMUJFWSA-N 1 1 277.368 2.650 20 5 CFBDMO Nc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000287827643 380949132 /nfs/dbraw/zinc/94/91/32/380949132.db2.gz QQKZFVSUUSMWRZ-CYBMUJFWSA-N 1 1 290.367 2.606 20 5 CFBDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000341347147 380955393 /nfs/dbraw/zinc/95/53/93/380955393.db2.gz KAFDGBHFETZLMW-LBPRGKRZSA-N 1 1 288.351 2.796 20 5 CFBDMO CCCC[N@@H+](CCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000182153282 381003246 /nfs/dbraw/zinc/00/32/46/381003246.db2.gz DSISEYJWARRREK-UHFFFAOYSA-N 1 1 280.368 2.888 20 5 CFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279335798 194389723 /nfs/dbraw/zinc/38/97/23/194389723.db2.gz PFYNQCLKXURFIT-WBMJQRKESA-N 1 1 290.363 2.637 20 5 CFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCC1 ZINC000347365442 381100317 /nfs/dbraw/zinc/10/03/17/381100317.db2.gz CYMGAVNLJOCMJL-LCYFTJDESA-N 1 1 290.363 2.845 20 5 CFBDMO Cc1ccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368667511 381104310 /nfs/dbraw/zinc/10/43/10/381104310.db2.gz SBJAQSMTMMMGAE-INIZCTEOSA-N 1 1 292.379 2.744 20 5 CFBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347375975 381108975 /nfs/dbraw/zinc/10/89/75/381108975.db2.gz SPVDGYWFENMQRB-LDCOFTPGSA-N 1 1 276.336 2.719 20 5 CFBDMO CCn1ccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000295854003 381118932 /nfs/dbraw/zinc/11/89/32/381118932.db2.gz BCTJRHOXQMOBBP-LBPRGKRZSA-N 1 1 288.351 2.970 20 5 CFBDMO CC[N@@H+](CCOC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000347330210 381076237 /nfs/dbraw/zinc/07/62/37/381076237.db2.gz FJZQOJBXUAQTNO-GFCCVEGCSA-N 1 1 266.341 2.933 20 5 CFBDMO COCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289889798 381204128 /nfs/dbraw/zinc/20/41/28/381204128.db2.gz MHWNZKGIKYPZBU-UHFFFAOYSA-N 1 1 293.150 2.980 20 5 CFBDMO COCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289889798 381204137 /nfs/dbraw/zinc/20/41/37/381204137.db2.gz MHWNZKGIKYPZBU-UHFFFAOYSA-N 1 1 293.150 2.980 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000359085854 381256684 /nfs/dbraw/zinc/25/66/84/381256684.db2.gz UGKNXQVSNBULQF-STQMWFEESA-N 1 1 290.367 2.645 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000359086607 381257447 /nfs/dbraw/zinc/25/74/47/381257447.db2.gz VXRFMZDNKOHADZ-OLZOCXBDSA-N 1 1 290.367 2.645 20 5 CFBDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617266 381259788 /nfs/dbraw/zinc/25/97/88/381259788.db2.gz NSXBVTJJXBQJSJ-VXGBXAGGSA-N 1 1 294.399 2.975 20 5 CFBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296191320 381295215 /nfs/dbraw/zinc/29/52/15/381295215.db2.gz YMNOUGDPNNPPBP-LLVKDONJSA-N 1 1 295.408 2.572 20 5 CFBDMO CC[N@@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347702603 381304220 /nfs/dbraw/zinc/30/42/20/381304220.db2.gz JBCZGYDRTOWOCN-OKILXGFUSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347702603 381304226 /nfs/dbraw/zinc/30/42/26/381304226.db2.gz JBCZGYDRTOWOCN-OKILXGFUSA-N 1 1 291.395 2.552 20 5 CFBDMO CCN1C[C@@H](C)[NH+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000347702604 381304471 /nfs/dbraw/zinc/30/44/71/381304471.db2.gz JBCZGYDRTOWOCN-ZIAGYGMSSA-N 1 1 291.395 2.552 20 5 CFBDMO Cc1cc[nH+]c(N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000347746599 381328801 /nfs/dbraw/zinc/32/88/01/381328801.db2.gz XJQPKQVRSYOUOV-UHFFFAOYSA-N 1 1 269.304 2.861 20 5 CFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183697062 381307449 /nfs/dbraw/zinc/30/74/49/381307449.db2.gz IPGMZQAOIOVUFI-GFCCVEGCSA-N 1 1 294.351 2.677 20 5 CFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000296226603 381309679 /nfs/dbraw/zinc/30/96/79/381309679.db2.gz DRGKOGJLLBLAGF-CYBMUJFWSA-N 1 1 291.351 2.694 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000369676483 381312510 /nfs/dbraw/zinc/31/25/10/381312510.db2.gz PWTWKGMNGOZYLC-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](CO)C1 ZINC000370071539 381378060 /nfs/dbraw/zinc/37/80/60/381378060.db2.gz TXHYFHOXIUZQRX-OLZOCXBDSA-N 1 1 278.352 2.750 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000370044961 381372168 /nfs/dbraw/zinc/37/21/68/381372168.db2.gz ITCGOYAZZOGWBH-CYBMUJFWSA-N 1 1 292.383 2.873 20 5 CFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](CO)C1 ZINC000370071540 381377852 /nfs/dbraw/zinc/37/78/52/381377852.db2.gz TXHYFHOXIUZQRX-QWHCGFSZSA-N 1 1 278.352 2.750 20 5 CFBDMO COc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342611415 381434386 /nfs/dbraw/zinc/43/43/86/381434386.db2.gz XRAQFBAICXCGLV-ZDUSSCGKSA-N 1 1 294.351 2.604 20 5 CFBDMO Cc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000290484678 381449017 /nfs/dbraw/zinc/44/90/17/381449017.db2.gz OFMVEKZINAYEMO-UHFFFAOYSA-N 1 1 292.379 2.886 20 5 CFBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000342590800 381418665 /nfs/dbraw/zinc/41/86/65/381418665.db2.gz NKSVNRBUQLWHFI-CQSZACIVSA-N 1 1 264.325 2.596 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663380 381484964 /nfs/dbraw/zinc/48/49/64/381484964.db2.gz UNCOYSRZYDWVBX-GWCFXTLKSA-N 1 1 286.335 2.526 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290775675 381546571 /nfs/dbraw/zinc/54/65/71/381546571.db2.gz MOIKLXFNQSXMSD-LLVKDONJSA-N 1 1 280.372 2.709 20 5 CFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290978008 381616806 /nfs/dbraw/zinc/61/68/06/381616806.db2.gz PCGIYTMXCSUDRQ-SNVBAGLBSA-N 1 1 299.396 2.507 20 5 CFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355120292 381625525 /nfs/dbraw/zinc/62/55/25/381625525.db2.gz YFTZUSBREIKNPS-HUUCEWRRSA-N 1 1 290.363 2.904 20 5 CFBDMO C[C@@H](CN)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414941030 381631411 /nfs/dbraw/zinc/63/14/11/381631411.db2.gz HZMDLYKJPTYLPB-JTQLQIEISA-N 1 1 291.376 2.760 20 5 CFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000355193809 381668732 /nfs/dbraw/zinc/66/87/32/381668732.db2.gz FIQMGLSOIOLJMF-CZUORRHYSA-N 1 1 292.379 2.921 20 5 CFBDMO CO[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000343440800 381712357 /nfs/dbraw/zinc/71/23/57/381712357.db2.gz JJEQBNOEEFYVQL-VWEWAFOGSA-N 1 1 290.363 2.965 20 5 CFBDMO Cc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458131 381727319 /nfs/dbraw/zinc/72/73/19/381727319.db2.gz BQDXYHKXBOSBRX-CQSZACIVSA-N 1 1 278.352 2.904 20 5 CFBDMO C[C@@H]1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343481465 381743109 /nfs/dbraw/zinc/74/31/09/381743109.db2.gz SSBYRXVMDSLUSS-PELKAZGASA-N 1 1 285.294 2.768 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[NH2+]C1 ZINC000415069411 381753172 /nfs/dbraw/zinc/75/31/72/381753172.db2.gz GDHHYVQTWFGPJL-ZFWWWQNUSA-N 1 1 291.395 2.648 20 5 CFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1 ZINC000415069411 381753175 /nfs/dbraw/zinc/75/31/75/381753175.db2.gz GDHHYVQTWFGPJL-ZFWWWQNUSA-N 1 1 291.395 2.648 20 5 CFBDMO CCC[C@H](C)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271863 381782841 /nfs/dbraw/zinc/78/28/41/381782841.db2.gz DWYRRWRUIDXUAL-STQMWFEESA-N 1 1 280.372 2.864 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000372283804 381784850 /nfs/dbraw/zinc/78/48/50/381784850.db2.gz UZKSEPYPCJYPKZ-OLZOCXBDSA-N 1 1 276.340 2.537 20 5 CFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372337847 381793674 /nfs/dbraw/zinc/79/36/74/381793674.db2.gz GAWHELMVDYOODA-LLVKDONJSA-N 1 1 264.300 2.966 20 5 CFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000372155481 381764838 /nfs/dbraw/zinc/76/48/38/381764838.db2.gz KQVSQNNYOQUTKW-GJZGRUSLSA-N 1 1 276.336 2.503 20 5 CFBDMO COCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185880342 381765669 /nfs/dbraw/zinc/76/56/69/381765669.db2.gz YGDGBFLIYFFSKI-UHFFFAOYSA-N 1 1 276.336 2.682 20 5 CFBDMO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343598594 381827530 /nfs/dbraw/zinc/82/75/30/381827530.db2.gz DHMWEWAKSWDGFJ-JTQLQIEISA-N 1 1 298.314 2.507 20 5 CFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343598594 381827540 /nfs/dbraw/zinc/82/75/40/381827540.db2.gz DHMWEWAKSWDGFJ-JTQLQIEISA-N 1 1 298.314 2.507 20 5 CFBDMO Cc1nocc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000293133989 382001783 /nfs/dbraw/zinc/00/17/83/382001783.db2.gz CFXQMQKKZBLUFQ-SNVBAGLBSA-N 1 1 261.281 2.742 20 5 CFBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299623177 382007728 /nfs/dbraw/zinc/00/77/28/382007728.db2.gz JTUXSLDNUCFKFF-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299623177 382007732 /nfs/dbraw/zinc/00/77/32/382007732.db2.gz JTUXSLDNUCFKFF-VIFPVBQESA-N 1 1 297.742 2.529 20 5 CFBDMO CCOc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000293160070 382013480 /nfs/dbraw/zinc/01/34/80/382013480.db2.gz VNWYKPPEJABUBZ-QWRGUYRKSA-N 1 1 264.325 2.834 20 5 CFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000299678615 382024539 /nfs/dbraw/zinc/02/45/39/382024539.db2.gz UUNOIRSAWUPSSP-NSHDSACASA-N 1 1 291.351 2.574 20 5 CFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H](C)CO ZINC000293396185 382107041 /nfs/dbraw/zinc/10/70/41/382107041.db2.gz LEQKUPHEYISVEA-LBPRGKRZSA-N 1 1 296.367 2.585 20 5 CFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293317083 382076860 /nfs/dbraw/zinc/07/68/60/382076860.db2.gz XIFVQHPWZOUBLZ-OAHLLOKOSA-N 1 1 278.352 2.842 20 5 CFBDMO COc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351938521 382079633 /nfs/dbraw/zinc/07/96/33/382079633.db2.gz WLTOXWYLBCEFON-GHMZBOCLSA-N 1 1 296.392 2.929 20 5 CFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(C)C ZINC000357256781 382079946 /nfs/dbraw/zinc/07/99/46/382079946.db2.gz APQCAEYITSXTQQ-UHFFFAOYSA-N 1 1 293.367 2.940 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000357464763 382182624 /nfs/dbraw/zinc/18/26/24/382182624.db2.gz ARYNOMBKQHWMFL-SNVBAGLBSA-N 1 1 275.283 2.980 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000301309771 382145821 /nfs/dbraw/zinc/14/58/21/382145821.db2.gz YBZIYIGWCDIPSA-ZDUSSCGKSA-N 1 1 292.383 2.975 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000301327720 382149549 /nfs/dbraw/zinc/14/95/49/382149549.db2.gz BZHKYFMVCLZRPD-ZDUSSCGKSA-N 1 1 277.368 2.681 20 5 CFBDMO COc1cc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301352125 382156172 /nfs/dbraw/zinc/15/61/72/382156172.db2.gz JBZCQYAJZWCPSJ-LBPRGKRZSA-N 1 1 293.367 2.890 20 5 CFBDMO CC(C)[N@H+](C)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357569534 382230531 /nfs/dbraw/zinc/23/05/31/382230531.db2.gz OWOKXZMLEHKPFY-NSHDSACASA-N 1 1 292.383 2.703 20 5 CFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000377236529 382239471 /nfs/dbraw/zinc/23/94/71/382239471.db2.gz FTTBRMCDXRBOIH-LHRNQBEKSA-N 1 1 290.363 2.702 20 5 CFBDMO CCOC1CC(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000352363748 382290904 /nfs/dbraw/zinc/29/09/04/382290904.db2.gz UHNLIPNFJZHCFA-UHFFFAOYSA-N 1 1 292.379 2.884 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000364251552 382291059 /nfs/dbraw/zinc/29/10/59/382291059.db2.gz KJSUBCFNNTZSJY-ZDUSSCGKSA-N 1 1 292.383 2.731 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000357781220 382319737 /nfs/dbraw/zinc/31/97/37/382319737.db2.gz KOZYAPMZYGNORX-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364532188 382325409 /nfs/dbraw/zinc/32/54/09/382325409.db2.gz WLKLXZYAMPMNOR-HNNXBMFYSA-N 1 1 276.336 2.514 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364532188 382325415 /nfs/dbraw/zinc/32/54/15/382325415.db2.gz WLKLXZYAMPMNOR-HNNXBMFYSA-N 1 1 276.336 2.514 20 5 CFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000357802656 382330037 /nfs/dbraw/zinc/33/00/37/382330037.db2.gz KCKFAINYCFAXLU-LBPRGKRZSA-N 1 1 280.372 2.831 20 5 CFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364274704 382295834 /nfs/dbraw/zinc/29/58/34/382295834.db2.gz UUQAUNAERBGHLF-CQSZACIVSA-N 1 1 278.352 2.843 20 5 CFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(N)c1 ZINC000420374544 382390431 /nfs/dbraw/zinc/39/04/31/382390431.db2.gz OAWFORPQRZUAEO-UHFFFAOYSA-N 1 1 285.347 2.852 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305206664 382433561 /nfs/dbraw/zinc/43/35/61/382433561.db2.gz YGGYHDCKKNMKEM-CQSZACIVSA-N 1 1 278.352 2.639 20 5 CFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352659570 382437111 /nfs/dbraw/zinc/43/71/11/382437111.db2.gz OALJUEYTPUGROS-YPMHNXCESA-N 1 1 284.743 2.593 20 5 CFBDMO CCOc1cc(N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420637464 382437791 /nfs/dbraw/zinc/43/77/91/382437791.db2.gz OPLVEVWJGMNYEI-CYBMUJFWSA-N 1 1 293.367 2.524 20 5 CFBDMO CC[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000305737008 382443165 /nfs/dbraw/zinc/44/31/65/382443165.db2.gz UHXPIXJNNREXIV-UHFFFAOYSA-N 1 1 266.341 2.532 20 5 CFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000378131553 382404188 /nfs/dbraw/zinc/40/41/88/382404188.db2.gz PNMNOPDMGXJCLV-MRXNPFEDSA-N 1 1 292.379 2.744 20 5 CFBDMO O=[N+]([O-])c1cc(C[NH+]2CC([C@H]3CCOC3)C2)ccc1Cl ZINC000365558287 382414340 /nfs/dbraw/zinc/41/43/40/382414340.db2.gz COKGXIRNQJZAHU-NSHDSACASA-N 1 1 296.754 2.717 20 5 CFBDMO Cc1c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649740 382538771 /nfs/dbraw/zinc/53/87/71/382538771.db2.gz DAIWJSRCJYKJBB-LSDHHAIUSA-N 1 1 290.363 2.762 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC2(CC2)C1 ZINC000366651649 382539393 /nfs/dbraw/zinc/53/93/93/382539393.db2.gz VSGPAZOGLRJLKZ-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC2(C1)CCCCCC2 ZINC000366648289 382537945 /nfs/dbraw/zinc/53/79/45/382537945.db2.gz ZTLNXJYJBGNPNZ-UHFFFAOYSA-N 1 1 292.383 2.875 20 5 CFBDMO CO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000189350650 382596706 /nfs/dbraw/zinc/59/67/06/382596706.db2.gz VUMGHFMAASKFAK-XHDPSFHLSA-N 1 1 278.352 2.760 20 5 CFBDMO COc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000189545752 382622533 /nfs/dbraw/zinc/62/25/33/382622533.db2.gz LFDBCZSRNOTKMD-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000353743223 382622581 /nfs/dbraw/zinc/62/25/81/382622581.db2.gz BPOFHFOQXUYDQP-UKRRQHHQSA-N 1 1 291.395 2.899 20 5 CFBDMO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000189545771 382622656 /nfs/dbraw/zinc/62/26/56/382622656.db2.gz LFDBCZSRNOTKMD-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353755931 382627500 /nfs/dbraw/zinc/62/75/00/382627500.db2.gz TUSBMWHUSFRPDJ-WCQYABFASA-N 1 1 297.424 2.961 20 5 CFBDMO Cc1c(C[N@@H+](CC(C)(C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000189903973 382644432 /nfs/dbraw/zinc/64/44/32/382644432.db2.gz PLSCFFNYDUPYSQ-UHFFFAOYSA-N 1 1 278.352 2.639 20 5 CFBDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193429591 382719760 /nfs/dbraw/zinc/71/97/60/382719760.db2.gz ZWXYMJNYDSDBMJ-ZDUSSCGKSA-N 1 1 292.383 2.853 20 5 CFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000193646534 382722049 /nfs/dbraw/zinc/72/20/49/382722049.db2.gz ALGURDPFWHVAFV-UHFFFAOYSA-N 1 1 279.296 2.877 20 5 CFBDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn(C)n1 ZINC000575072396 382726246 /nfs/dbraw/zinc/72/62/46/382726246.db2.gz ZSQIEWOCYHCABK-HZMBPMFUSA-N 1 1 286.335 2.666 20 5 CFBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000337263100 382788791 /nfs/dbraw/zinc/78/87/91/382788791.db2.gz ZLVLDWVTLGJNIA-UHFFFAOYSA-N 1 1 291.351 2.798 20 5 CFBDMO C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000230142696 382855963 /nfs/dbraw/zinc/85/59/63/382855963.db2.gz STRXPERSXJVHOJ-SNVBAGLBSA-N 1 1 297.786 2.821 20 5 CFBDMO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000230142696 382855964 /nfs/dbraw/zinc/85/59/64/382855964.db2.gz STRXPERSXJVHOJ-SNVBAGLBSA-N 1 1 297.786 2.821 20 5 CFBDMO COc1cc(C[NH+]2C3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000534331301 382926438 /nfs/dbraw/zinc/92/64/38/382926438.db2.gz IDKHMQSZSVMFSH-UHFFFAOYSA-N 1 1 292.335 2.739 20 5 CFBDMO [NH3+][C@@H]1C[C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017758 383014316 /nfs/dbraw/zinc/01/43/16/383014316.db2.gz XAVCHFYMDYZJRM-IAGOWNOFSA-N 1 1 297.358 2.872 20 5 CFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191632 382968521 /nfs/dbraw/zinc/96/85/21/382968521.db2.gz HKYAYVOYJZKMHB-GXFFZTMASA-N 1 1 284.381 2.639 20 5 CFBDMO CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211756 382971319 /nfs/dbraw/zinc/97/13/19/382971319.db2.gz OYPFLYCQUKMKHQ-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211756 382971324 /nfs/dbraw/zinc/97/13/24/382971324.db2.gz OYPFLYCQUKMKHQ-CYBMUJFWSA-N 1 1 284.743 2.595 20 5 CFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145920 383147076 /nfs/dbraw/zinc/14/70/76/383147076.db2.gz WQLGFISXHFGVSD-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145920 383147081 /nfs/dbraw/zinc/14/70/81/383147081.db2.gz WQLGFISXHFGVSD-QWHCGFSZSA-N 1 1 279.384 2.976 20 5 CFBDMO CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000338907587 383081952 /nfs/dbraw/zinc/08/19/52/383081952.db2.gz ZMMUTDYZTHNFBR-UHFFFAOYSA-N 1 1 252.314 2.778 20 5 CFBDMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423433434 383095331 /nfs/dbraw/zinc/09/53/31/383095331.db2.gz CJIATJDVNQFWAC-XPCVCDNBSA-N 1 1 291.395 2.631 20 5 CFBDMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812981 383107317 /nfs/dbraw/zinc/10/73/17/383107317.db2.gz ARXMLUBFGDQHPT-DVOMOZLQSA-N 1 1 291.395 2.974 20 5 CFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812981 383107320 /nfs/dbraw/zinc/10/73/20/383107320.db2.gz ARXMLUBFGDQHPT-DVOMOZLQSA-N 1 1 291.395 2.974 20 5 CFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492088 383330849 /nfs/dbraw/zinc/33/08/49/383330849.db2.gz BFCLWBCHFMXSDO-IUODEOHRSA-N 1 1 278.352 2.760 20 5 CFBDMO CCO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449494443 383332396 /nfs/dbraw/zinc/33/23/96/383332396.db2.gz NBCBGCYHGRLHFT-JQWIXIFHSA-N 1 1 284.381 2.903 20 5 CFBDMO CCO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449494443 383332399 /nfs/dbraw/zinc/33/23/99/383332399.db2.gz NBCBGCYHGRLHFT-JQWIXIFHSA-N 1 1 284.381 2.903 20 5 CFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449504619 383341456 /nfs/dbraw/zinc/34/14/56/383341456.db2.gz QUCSNAMZISBGAC-IAQYHMDHSA-N 1 1 296.342 2.981 20 5 CFBDMO COc1cc(C[N@@H+]2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449428541 383288022 /nfs/dbraw/zinc/28/80/22/383288022.db2.gz VBEREVZGAVZSBJ-GFCCVEGCSA-N 1 1 292.335 2.596 20 5 CFBDMO COc1cc(C[N@H+]2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449428541 383288026 /nfs/dbraw/zinc/28/80/26/383288026.db2.gz VBEREVZGAVZSBJ-GFCCVEGCSA-N 1 1 292.335 2.596 20 5 CFBDMO COc1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449431094 383290365 /nfs/dbraw/zinc/29/03/65/383290365.db2.gz ZMZVNHTVLHMGPJ-GFCCVEGCSA-N 1 1 262.309 2.588 20 5 CFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725132 383306877 /nfs/dbraw/zinc/30/68/77/383306877.db2.gz WAOYBJASBUWJFX-NSHDSACASA-N 1 1 297.786 2.774 20 5 CFBDMO CO[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000251988158 383402012 /nfs/dbraw/zinc/40/20/12/383402012.db2.gz VUMGHFMAASKFAK-NHYWBVRUSA-N 1 1 278.352 2.760 20 5 CFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000524619684 383376547 /nfs/dbraw/zinc/37/65/47/383376547.db2.gz DCWGEOYAMKSWQB-NWDGAFQWSA-N 1 1 264.325 2.704 20 5 CFBDMO Cc1c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882373 383382372 /nfs/dbraw/zinc/38/23/72/383382372.db2.gz CBWVAYOWGNJQNL-CABCVRRESA-N 1 1 289.379 2.620 20 5 CFBDMO Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674152 383426109 /nfs/dbraw/zinc/42/61/09/383426109.db2.gz PIUJFWSRZSJOKF-CABCVRRESA-N 1 1 289.379 2.620 20 5 CFBDMO COC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255389690 383481095 /nfs/dbraw/zinc/48/10/95/383481095.db2.gz DUDZVICRIQAUST-BMWLXYDHSA-N 1 1 290.363 2.966 20 5 CFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000252799247 383435660 /nfs/dbraw/zinc/43/56/60/383435660.db2.gz AHOZCJJWIADQKT-VXGBXAGGSA-N 1 1 291.351 2.511 20 5 CFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000252799247 383435665 /nfs/dbraw/zinc/43/56/65/383435665.db2.gz AHOZCJJWIADQKT-VXGBXAGGSA-N 1 1 291.351 2.511 20 5 CFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000483437275 383448788 /nfs/dbraw/zinc/44/87/88/383448788.db2.gz FWCQJPQFRUHSOI-OZOQIHSDSA-N 1 1 290.363 2.558 20 5 CFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450827707 383508050 /nfs/dbraw/zinc/50/80/50/383508050.db2.gz KWIPIFQXWHHZMW-YHWZYXNKSA-N 1 1 290.367 2.644 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC2(C)C)n1 ZINC000450953522 383565859 /nfs/dbraw/zinc/56/58/59/383565859.db2.gz YSZFRICVQPSZKF-UHFFFAOYSA-N 1 1 278.356 2.585 20 5 CFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000570844812 383641563 /nfs/dbraw/zinc/64/15/63/383641563.db2.gz COSSYPXFXMTNBP-HIFRSBDPSA-N 1 1 276.336 2.514 20 5 CFBDMO C[C@@H](O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548471 383642419 /nfs/dbraw/zinc/64/24/19/383642419.db2.gz NMMRYFZUOBHWOP-OCCSQVGLSA-N 1 1 278.352 2.545 20 5 CFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCCO)C2)cc1 ZINC000451550799 383643478 /nfs/dbraw/zinc/64/34/78/383643478.db2.gz RYROWXCBEBJEHV-AWEZNQCLSA-N 1 1 278.352 2.547 20 5 CFBDMO CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000453141828 383781999 /nfs/dbraw/zinc/78/19/99/383781999.db2.gz UBLIOECQMYPXHT-KBPBESRZSA-N 1 1 286.335 2.977 20 5 CFBDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984323 383853952 /nfs/dbraw/zinc/85/39/52/383853952.db2.gz AACBSSRXJKMNJC-RISCZKNCSA-N 1 1 277.368 2.512 20 5 CFBDMO COc1ccc(OCC[N@@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000173727448 533014926 /nfs/dbraw/zinc/01/49/26/533014926.db2.gz UOWSWFHQKOJLGV-UHFFFAOYSA-N 1 1 294.351 2.714 20 5 CFBDMO Cc1nnsc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573815338 383996476 /nfs/dbraw/zinc/99/64/76/383996476.db2.gz OULISOLKHNIQAZ-NSHDSACASA-N 1 1 290.348 2.532 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532239408 383998702 /nfs/dbraw/zinc/99/87/02/383998702.db2.gz LJZJMSFHXUSAJS-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532239408 383998711 /nfs/dbraw/zinc/99/87/11/383998711.db2.gz LJZJMSFHXUSAJS-GXTWGEPZSA-N 1 1 291.395 2.896 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000531962928 383948041 /nfs/dbraw/zinc/94/80/41/383948041.db2.gz JJFFEGVGUAQAIC-CHWSQXEVSA-N 1 1 279.384 2.894 20 5 CFBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600338 383955326 /nfs/dbraw/zinc/95/53/26/383955326.db2.gz ZMUPNIRXVNOPRN-JTQLQIEISA-N 1 1 298.774 2.787 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000574284665 384072420 /nfs/dbraw/zinc/07/24/20/384072420.db2.gz GXZITHAFGHJKOE-DZGCQCFKSA-N 1 1 288.347 2.596 20 5 CFBDMO Cc1[nH+]ccn1CCCCNc1ccccc1[N+](=O)[O-] ZINC000266276475 384133001 /nfs/dbraw/zinc/13/30/01/384133001.db2.gz SJEBZNXVNCGXCR-UHFFFAOYSA-N 1 1 274.324 2.992 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277126816 384208289 /nfs/dbraw/zinc/20/82/89/384208289.db2.gz RWKSAUYAPOKFES-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277126816 384208293 /nfs/dbraw/zinc/20/82/93/384208293.db2.gz RWKSAUYAPOKFES-DDFAGTSDSA-N 1 1 298.770 2.982 20 5 CFBDMO Cc1ccnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277483811 384316570 /nfs/dbraw/zinc/31/65/70/384316570.db2.gz RFLSCCILZDREMW-ZDUSSCGKSA-N 1 1 290.367 2.727 20 5 CFBDMO C[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267032575 384281718 /nfs/dbraw/zinc/28/17/18/384281718.db2.gz BNDCKHKYYSTRLG-CYBMUJFWSA-N 1 1 288.351 2.527 20 5 CFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063486 384291421 /nfs/dbraw/zinc/29/14/21/384291421.db2.gz UGERMZIOVZDIHQ-HUUCEWRRSA-N 1 1 296.342 2.859 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000355141881 285112942 /nfs/dbraw/zinc/11/29/42/285112942.db2.gz YSRRSTIFYQPXCK-ZFWWWQNUSA-N 1 1 276.336 2.596 20 5 CFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267799756 384467056 /nfs/dbraw/zinc/46/70/56/384467056.db2.gz KOKJWHUSPCHPNG-GRYCIOLGSA-N 1 1 291.351 2.510 20 5 CFBDMO CC[N@@H+](CCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000268012186 384509708 /nfs/dbraw/zinc/50/97/08/384509708.db2.gz PSTAHUQSBCHZMN-UHFFFAOYSA-N 1 1 297.354 2.760 20 5 CFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCSC1 ZINC000278464853 384584810 /nfs/dbraw/zinc/58/48/10/384584810.db2.gz POVJHOIDCONWHR-LLVKDONJSA-N 1 1 266.366 2.780 20 5 CFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278789580 384597537 /nfs/dbraw/zinc/59/75/37/384597537.db2.gz QHGLYHNVUMKPHY-QWRGUYRKSA-N 1 1 274.324 2.740 20 5 CFBDMO CC[C@H](C)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660857 384825145 /nfs/dbraw/zinc/82/51/45/384825145.db2.gz QJDZLZBOOYANKG-SMDDNHRTSA-N 1 1 266.341 2.606 20 5 CFBDMO CC(C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269664897 384826849 /nfs/dbraw/zinc/82/68/49/384826849.db2.gz ROCNPTQNPUCVGQ-OAHLLOKOSA-N 1 1 278.352 2.749 20 5 CFBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000269676456 384831847 /nfs/dbraw/zinc/83/18/47/384831847.db2.gz WRNPSAFEDDZRCE-FZMZJTMJSA-N 1 1 278.352 2.749 20 5 CFBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270815681 385235104 /nfs/dbraw/zinc/23/51/04/385235104.db2.gz XMELAOFMIIORIT-NSHDSACASA-N 1 1 279.340 2.654 20 5 CFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncc(F)c1 ZINC000282412476 385305192 /nfs/dbraw/zinc/30/51/92/385305192.db2.gz IOPGWXVUSMVNCB-UHFFFAOYSA-N 1 1 289.310 2.803 20 5 CFBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282464246 385317680 /nfs/dbraw/zinc/31/76/80/385317680.db2.gz UEVHFBOYTKEDHV-DGCLKSJQSA-N 1 1 294.351 2.603 20 5 CFBDMO CCSCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282328436 385284238 /nfs/dbraw/zinc/28/42/38/385284238.db2.gz ARTMAQDZUJLUCQ-UHFFFAOYSA-N 1 1 268.382 2.822 20 5 CFBDMO CC(C)OCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282535313 385337253 /nfs/dbraw/zinc/33/72/53/385337253.db2.gz VKCJBMWFIJFNPP-UHFFFAOYSA-N 1 1 280.368 2.884 20 5 CFBDMO 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O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367065975 156275155 /nfs/dbraw/zinc/27/51/55/156275155.db2.gz HQEROKHYJGYWKN-MRXNPFEDSA-N 1 1 290.363 2.640 20 5 CFBDMO Cc1c(C[N@H+]2CCC[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000367106855 156283007 /nfs/dbraw/zinc/28/30/07/156283007.db2.gz KTSVPHPGRBLWCQ-DZGCQCFKSA-N 1 1 276.336 2.514 20 5 CFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CC3CCCC3)C2)c1 ZINC000373586212 157009864 /nfs/dbraw/zinc/00/98/64/157009864.db2.gz RAGXCXGJAVLOAK-ZDUSSCGKSA-N 1 1 278.356 2.618 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375019418 157185253 /nfs/dbraw/zinc/18/52/53/157185253.db2.gz MBERLBODXUDGOR-WWGRRREGSA-N 1 1 289.379 2.682 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376478069 157360967 /nfs/dbraw/zinc/36/09/67/157360967.db2.gz NMWQUTMZRXEMJG-OSAQELSMSA-N 1 1 276.336 2.767 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000408217095 157387630 /nfs/dbraw/zinc/38/76/30/157387630.db2.gz XPCHRIZCHYKAMR-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000408217095 157387632 /nfs/dbraw/zinc/38/76/32/157387632.db2.gz XPCHRIZCHYKAMR-UHFFFAOYSA-N 1 1 294.326 2.736 20 5 CFBDMO CC[N@H+]1C[C@H](C)N(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345154536 162189368 /nfs/dbraw/zinc/18/93/68/162189368.db2.gz XJXVDHPWNLRQFE-RYUDHWBXSA-N 1 1 263.341 2.514 20 5 CFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000350278458 163069859 /nfs/dbraw/zinc/06/98/59/163069859.db2.gz MFGSUICDBMJJEV-UHFFFAOYSA-N 1 1 286.335 2.534 20 5 CFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352676051 163221306 /nfs/dbraw/zinc/22/13/06/163221306.db2.gz SQVMZDUXYWMQQW-SWHYSGLUSA-N 1 1 264.325 2.501 20 5 CFBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352685295 163223706 /nfs/dbraw/zinc/22/37/06/163223706.db2.gz TULOIMVNEHYPMF-ZDUSSCGKSA-N 1 1 252.289 2.964 20 5 CFBDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352685295 163223710 /nfs/dbraw/zinc/22/37/10/163223710.db2.gz TULOIMVNEHYPMF-ZDUSSCGKSA-N 1 1 252.289 2.964 20 5 CFBDMO Cc1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353138001 163313335 /nfs/dbraw/zinc/31/33/35/163313335.db2.gz XRSFYLVDADCXIP-ZDUSSCGKSA-N 1 1 279.384 2.722 20 5 CFBDMO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000353138001 163313337 /nfs/dbraw/zinc/31/33/37/163313337.db2.gz XRSFYLVDADCXIP-ZDUSSCGKSA-N 1 1 279.384 2.722 20 5 CFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353447328 163368256 /nfs/dbraw/zinc/36/82/56/163368256.db2.gz JPMDCPDMAHBKKK-DGCLKSJQSA-N 1 1 293.367 2.636 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000007384257 170281832 /nfs/dbraw/zinc/28/18/32/170281832.db2.gz MSRUMTVZHYJLEN-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000007384257 170281833 /nfs/dbraw/zinc/28/18/33/170281833.db2.gz MSRUMTVZHYJLEN-RYUDHWBXSA-N 1 1 291.351 2.654 20 5 CFBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000020123812 171005492 /nfs/dbraw/zinc/00/54/92/171005492.db2.gz IUTCQFVPHJMGNU-LLVKDONJSA-N 1 1 257.293 2.841 20 5 CFBDMO Cc1ccc([C@@H](C)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000020126005 171009474 /nfs/dbraw/zinc/00/94/74/171009474.db2.gz VZRRWNUCKLVSGW-GFCCVEGCSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc([C@H](C)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000020126006 171009996 /nfs/dbraw/zinc/00/99/96/171009996.db2.gz VZRRWNUCKLVSGW-LBPRGKRZSA-N 1 1 279.384 2.894 20 5 CFBDMO Cc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000035258547 172089918 /nfs/dbraw/zinc/08/99/18/172089918.db2.gz JSGZPYCFAAQNBC-OAHLLOKOSA-N 1 1 293.411 2.969 20 5 CFBDMO C[C@H](c1cnccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285177020 196214491 /nfs/dbraw/zinc/21/44/91/196214491.db2.gz BMPUFFMMBJXJGZ-GFCCVEGCSA-N 1 1 286.335 2.620 20 5 CFBDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340332 196254146 /nfs/dbraw/zinc/25/41/46/196254146.db2.gz UTNGSQOQNUVVGK-NEPJUHHUSA-N 1 1 294.399 2.558 20 5 CFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000035694775 172363827 /nfs/dbraw/zinc/36/38/27/172363827.db2.gz NOCZWYLHMOIGAD-NSHDSACASA-N 1 1 287.319 2.849 20 5 CFBDMO C[N@@H+](CCCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000285360049 196260838 /nfs/dbraw/zinc/26/08/38/196260838.db2.gz QOOICUHLQIWVAD-UHFFFAOYSA-N 1 1 254.305 2.819 20 5 CFBDMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])oc1C ZINC000285429813 196282817 /nfs/dbraw/zinc/28/28/17/196282817.db2.gz WOESDMJASIENEB-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])oc1C ZINC000285429813 196282819 /nfs/dbraw/zinc/28/28/19/196282819.db2.gz WOESDMJASIENEB-UHFFFAOYSA-N 1 1 289.335 2.874 20 5 CFBDMO COc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037650292 173601783 /nfs/dbraw/zinc/60/17/83/173601783.db2.gz GMJOXKAGKBTOES-LLVKDONJSA-N 1 1 287.319 2.849 20 5 CFBDMO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCCCC2)cc1 ZINC000040433277 174260654 /nfs/dbraw/zinc/26/06/54/174260654.db2.gz OOCUDHWXTHZTND-UHFFFAOYSA-N 1 1 277.368 2.560 20 5 CFBDMO Cc1ccc(CNCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000071376935 176141683 /nfs/dbraw/zinc/14/16/83/176141683.db2.gz FEIXHUVVHVQEHA-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO Cc1ccc(C[NH2+]CCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000071376935 176141685 /nfs/dbraw/zinc/14/16/85/176141685.db2.gz FEIXHUVVHVQEHA-UHFFFAOYSA-N 1 1 291.395 2.867 20 5 CFBDMO COc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000083415155 260349822 /nfs/dbraw/zinc/34/98/22/260349822.db2.gz UYBPNMDJLGCDQH-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000083415155 260349824 /nfs/dbraw/zinc/34/98/24/260349824.db2.gz UYBPNMDJLGCDQH-UHFFFAOYSA-N 1 1 296.392 2.931 20 5 CFBDMO COc1ccc(C[NH+]2CC3(C2)CCCC3)cc1[N+](=O)[O-] ZINC000459555108 270339213 /nfs/dbraw/zinc/33/92/13/270339213.db2.gz BFBWMSKQDLCROA-UHFFFAOYSA-N 1 1 276.336 2.979 20 5 CFBDMO CCC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432338592 273614200 /nfs/dbraw/zinc/61/42/00/273614200.db2.gz FRGRNRIGHDKDCR-UHFFFAOYSA-N 1 1 283.759 2.780 20 5 CFBDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177228008 274234057 /nfs/dbraw/zinc/23/40/57/274234057.db2.gz BZLHIXHBBGKPAI-LLVKDONJSA-N 1 1 291.351 2.654 20 5 CFBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000227888311 275033732 /nfs/dbraw/zinc/03/37/32/275033732.db2.gz OEEQGUNESUQUEK-OLZOCXBDSA-N 1 1 297.305 2.912 20 5 CFBDMO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000266231256 275036765 /nfs/dbraw/zinc/03/67/65/275036765.db2.gz JMVKKJIDFSJZDI-LBPRGKRZSA-N 1 1 293.754 2.699 20 5 CFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423216085 275038296 /nfs/dbraw/zinc/03/82/96/275038296.db2.gz RKMLPDPEDSTABE-MLGOLLRUSA-N 1 1 289.379 2.561 20 5 CFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366841512 275039816 /nfs/dbraw/zinc/03/98/16/275039816.db2.gz AVMBPTHEHWRGGK-CQSZACIVSA-N 1 1 290.363 2.843 20 5 CFBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000301992511 275040621 /nfs/dbraw/zinc/04/06/21/275040621.db2.gz NWAKTDFYDRSMIH-VHSXEESVSA-N 1 1 267.354 2.695 20 5 CFBDMO C[N@H+]1CCCC12CCN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000364134963 277042222 /nfs/dbraw/zinc/04/22/22/277042222.db2.gz XYFYJLDXMJNRTO-UHFFFAOYSA-N 1 1 293.342 2.799 20 5 CFBDMO C[C@@H](NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000040771799 278346762 /nfs/dbraw/zinc/34/67/62/278346762.db2.gz MIEWZGJDQWACIC-CQSZACIVSA-N 1 1 291.395 2.977 20 5 CFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000134824058 278361756 /nfs/dbraw/zinc/36/17/56/278361756.db2.gz GTZOIMVGTYOPLJ-MNOVXSKESA-N 1 1 293.367 2.549 20 5 CFBDMO C[C@@H]1[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000492193087 279104225 /nfs/dbraw/zinc/10/42/25/279104225.db2.gz MFZFQBAQWOADNH-MNOVXSKESA-N 1 1 297.786 2.773 20 5 CFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211577 280111877 /nfs/dbraw/zinc/11/18/77/280111877.db2.gz FJKLXHVNKGWAMW-QWRGUYRKSA-N 1 1 297.786 2.773 20 5 CFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292915357 281014294 /nfs/dbraw/zinc/01/42/94/281014294.db2.gz XWPLPXFUDRZPOD-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292635307 281260335 /nfs/dbraw/zinc/26/03/35/281260335.db2.gz AJXUQVVJCJITEE-MRXNPFEDSA-N 1 1 289.379 2.825 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000559295978 282004633 /nfs/dbraw/zinc/00/46/33/282004633.db2.gz VJRSZEAKKZGLJN-PHIMTYICSA-N 1 1 296.392 2.929 20 5 CFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000559295978 282004634 /nfs/dbraw/zinc/00/46/34/282004634.db2.gz VJRSZEAKKZGLJN-PHIMTYICSA-N 1 1 296.392 2.929 20 5 CFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C(C)(C)C1 ZINC000565636682 290314099 /nfs/dbraw/zinc/31/40/99/290314099.db2.gz NBJBBHBCUAAAND-LBPRGKRZSA-N 1 1 277.368 2.682 20 5 CFBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360082416 301338376 /nfs/dbraw/zinc/33/83/76/301338376.db2.gz LGWFFXVHVXFWCI-OAHLLOKOSA-N 1 1 295.358 2.819 20 5 CFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000166261763 322386999 /nfs/dbraw/zinc/38/69/99/322386999.db2.gz ZQFFMRFGHYXOFA-BLLLJJGKSA-N 1 1 291.395 2.894 20 5 CFBDMO Cc1[nH+]cn(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000172194382 322421200 /nfs/dbraw/zinc/42/12/00/322421200.db2.gz NQSWSBFCGRQHNF-UHFFFAOYSA-N 1 1 299.290 2.506 20 5 CFBDMO C=Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000194420155 324088992 /nfs/dbraw/zinc/08/89/92/324088992.db2.gz BDYVQVAHWASXTB-UHFFFAOYSA-N 1 1 292.726 2.835 20 5 CFBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])s3)ccc2n1C ZINC000584270915 325342462 /nfs/dbraw/zinc/34/24/62/325342462.db2.gz NFOSKAFCOBINEA-UHFFFAOYSA-N 1 1 289.320 2.990 20 5 CFBDMO