smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000001387093 371669253 /nfs/dbraw/zinc/66/92/53/371669253.db2.gz IMVBYJRSYIKNJE-UHFFFAOYSA-N 1 2 268.070 2.543 50 5 CFBALO COc1cc[nH+]cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069569247 374075033 /nfs/dbraw/zinc/07/50/33/374075033.db2.gz DJCLGGZAVQCODE-UHFFFAOYSA-N 1 2 288.263 2.642 50 5 CFBALO Cc1ccc[nH+]c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000295689133 381018106 /nfs/dbraw/zinc/01/81/06/381018106.db2.gz ICJAYTPWNJOKGI-UHFFFAOYSA-N 1 2 272.308 2.656 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000298694187 381713602 /nfs/dbraw/zinc/71/36/02/381713602.db2.gz BZJOSDMHSSVIOF-HUUCEWRRSA-N 1 2 276.336 2.738 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000298694187 381713609 /nfs/dbraw/zinc/71/36/09/381713609.db2.gz BZJOSDMHSSVIOF-HUUCEWRRSA-N 1 2 276.336 2.738 50 5 CFBALO CN(CC1CC1)c1cc[nH+]c(N(C)CC2CC2)c1[N+](=O)[O-] ZINC000252500125 383414370 /nfs/dbraw/zinc/41/43/70/383414370.db2.gz SNJVGAKWFVXFCS-UHFFFAOYSA-N 1 2 290.367 2.682 50 5 CFBALO Nc1nc(NCc2ccccc2)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000009482461 170378254 /nfs/dbraw/zinc/37/82/54/170378254.db2.gz BXUQDUNJFNXLMQ-UHFFFAOYSA-N 1 2 295.302 2.732 50 5 CFBALO [NH2+]=C1c2ccccc2CN1c1cccc([N+](=O)[O-])c1 ZINC000001509832 371678950 /nfs/dbraw/zinc/67/89/50/371678950.db2.gz JWURKWTWKWKULR-UHFFFAOYSA-N 1 2 253.261 2.940 50 5 CFBALO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000052314671 373441987 /nfs/dbraw/zinc/44/19/87/373441987.db2.gz NCWQPXZRPMOBCC-UHFFFAOYSA-N 1 2 287.323 2.975 50 5 CFBALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000056867184 373571665 /nfs/dbraw/zinc/57/16/65/373571665.db2.gz RARGJMXGNVXCMW-UHFFFAOYSA-N 1 2 298.258 2.626 50 5 CFBALO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000058137882 373627505 /nfs/dbraw/zinc/62/75/05/373627505.db2.gz WGBNTHWNSHCPIJ-UHFFFAOYSA-N 1 2 287.275 2.559 50 5 CFBALO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000071899528 374229734 /nfs/dbraw/zinc/22/97/34/374229734.db2.gz BTYWIDBWRZKARV-UHFFFAOYSA-N 1 2 272.308 2.633 50 5 CFBALO Cc1c(CNc2nc[nH+]c(N)c2Cl)cccc1[N+](=O)[O-] ZINC000225491638 382817391 /nfs/dbraw/zinc/81/73/91/382817391.db2.gz QWKQDYARWWIBQE-UHFFFAOYSA-N 1 2 293.714 2.541 50 5 CFBALO Cc1c(CNc2[nH+]cnc(N)c2Cl)cccc1[N+](=O)[O-] ZINC000225491638 382817393 /nfs/dbraw/zinc/81/73/93/382817393.db2.gz QWKQDYARWWIBQE-UHFFFAOYSA-N 1 2 293.714 2.541 50 5 CFBALO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000091463475 180162489 /nfs/dbraw/zinc/16/24/89/180162489.db2.gz QARFJOOGQKVOCA-UHFFFAOYSA-N 1 2 295.302 2.788 50 5 CFBALO Cc1ccc(C[NH2+]Cc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000069901124 374110066 /nfs/dbraw/zinc/11/00/66/374110066.db2.gz ULFBJYFALGNLNG-UHFFFAOYSA-N 1 2 278.333 2.960 50 5 CFBALO COc1cc[nH+]cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000131394780 524866554 /nfs/dbraw/zinc/86/65/54/524866554.db2.gz HXKZUJPFTJCAER-UHFFFAOYSA-N 1 2 287.275 2.559 50 5 CFBALO Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000041306174 372831197 /nfs/dbraw/zinc/83/11/97/372831197.db2.gz BWJYGRHPQAKPIL-UHFFFAOYSA-N 1 2 296.286 2.803 50 5 CFBALO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCSCC2)c1 ZINC000055544033 373557717 /nfs/dbraw/zinc/55/77/17/373557717.db2.gz DWUPYGAIDWSHBO-UHFFFAOYSA-N 1 2 272.757 2.797 50 5 CFBALO Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CC(C)C ZINC000095429649 375444981 /nfs/dbraw/zinc/44/49/81/375444981.db2.gz SCUUCSREEUHDHC-UHFFFAOYSA-N 1 2 289.339 2.763 50 5 CFBALO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000095985978 185056766 /nfs/dbraw/zinc/05/67/66/185056766.db2.gz SFEAUONJOYSSTE-VIFPVBQESA-N 1 2 292.364 2.914 50 5 CFBALO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000075142933 374461912 /nfs/dbraw/zinc/46/19/12/374461912.db2.gz NPCZDMMPDUTRMB-UHFFFAOYSA-N 1 2 282.259 2.968 50 5 CFBALO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000095462532 184993268 /nfs/dbraw/zinc/99/32/68/184993268.db2.gz FIGJOYVMGVCUHJ-JTQLQIEISA-N 1 2 275.283 2.980 50 5 CFBALO Cc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000007047744 261376613 /nfs/dbraw/zinc/37/66/13/261376613.db2.gz DTYWGAYJUSVTTC-UHFFFAOYSA-N 1 2 276.321 2.568 50 5 CFBALO Cc1noc(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346562 372317355 /nfs/dbraw/zinc/31/73/55/372317355.db2.gz NBAFVDVTJNZKAF-UHFFFAOYSA-N 1 2 275.308 2.832 50 5 CFBALO Cc1noc(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346562 372317364 /nfs/dbraw/zinc/31/73/64/372317364.db2.gz NBAFVDVTJNZKAF-UHFFFAOYSA-N 1 2 275.308 2.832 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1ccsc1 ZINC000069559311 374075286 /nfs/dbraw/zinc/07/52/86/374075286.db2.gz CGDIPSIGZTTXBX-UHFFFAOYSA-N 1 2 292.360 2.651 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1ccsc1 ZINC000069559311 374075291 /nfs/dbraw/zinc/07/52/91/374075291.db2.gz CGDIPSIGZTTXBX-UHFFFAOYSA-N 1 2 292.360 2.651 50 5 CFBALO Cc1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000088727619 302348975 /nfs/dbraw/zinc/34/89/75/302348975.db2.gz OTITXZCFNCLDHF-LLVKDONJSA-N 1 2 287.323 2.753 50 5 CFBALO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000075091867 347054602 /nfs/dbraw/zinc/05/46/02/347054602.db2.gz JGFYTAWUHOHGPM-UHFFFAOYSA-N 1 2 297.318 2.601 50 5 CFBALO COC(=O)c1cc(-c2c[nH+]cn2C(C)C)cc([N+](=O)[O-])c1 ZINC000725246024 539560366 /nfs/dbraw/zinc/56/03/66/539560366.db2.gz PDEBRYIVHWXOEW-UHFFFAOYSA-N 1 2 289.291 2.826 50 5 CFBALO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016662764 372115651 /nfs/dbraw/zinc/11/56/51/372115651.db2.gz KUPZNMSOLPZTTB-ZVYZJRAXSA-N 1 2 276.336 2.717 50 5 CFBALO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016662764 372115657 /nfs/dbraw/zinc/11/56/57/372115657.db2.gz KUPZNMSOLPZTTB-ZVYZJRAXSA-N 1 2 276.336 2.717 50 5 CFBALO CN1CCC[NH2+][C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000019324414 372156677 /nfs/dbraw/zinc/15/66/77/372156677.db2.gz IUCJHOOQKNIHBO-OAHLLOKOSA-N 1 2 287.319 2.779 50 5 CFBALO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccccn1)CC2 ZINC000095410358 375434417 /nfs/dbraw/zinc/43/44/17/375434417.db2.gz HRUPRTKDODCGDJ-UHFFFAOYSA-N 1 2 269.304 2.548 50 5 CFBALO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccccn1)CC2 ZINC000095410358 375434420 /nfs/dbraw/zinc/43/44/20/375434420.db2.gz HRUPRTKDODCGDJ-UHFFFAOYSA-N 1 2 269.304 2.548 50 5 CFBALO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000357441324 382172383 /nfs/dbraw/zinc/17/23/83/382172383.db2.gz MLSJSJUROMOJRC-UHFFFAOYSA-N 1 2 296.286 2.803 50 5 CFBALO O=[N+]([O-])c1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000225477375 382816693 /nfs/dbraw/zinc/81/66/93/382816693.db2.gz PUIVEWFJKQLKDT-UHFFFAOYSA-N 1 2 299.334 2.597 50 5 CFBALO O=[N+]([O-])c1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000225477375 382816695 /nfs/dbraw/zinc/81/66/95/382816695.db2.gz PUIVEWFJKQLKDT-UHFFFAOYSA-N 1 2 299.334 2.597 50 5 CFBALO Cc1ccc([N+](=O)[O-])c(OCCCn2cc[nH+]c2)c1 ZINC000004810557 170020989 /nfs/dbraw/zinc/02/09/89/170020989.db2.gz MQGKGPFRPRRHOV-UHFFFAOYSA-N 1 2 261.281 2.569 50 5 CFBALO O=[N+]([O-])c1cccnc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000006649260 170222024 /nfs/dbraw/zinc/22/20/24/170222024.db2.gz IVFOIXNDRNZNHN-UHFFFAOYSA-N 1 2 282.259 2.968 50 5 CFBALO C[N@H+](CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737061 346266421 /nfs/dbraw/zinc/26/64/21/346266421.db2.gz DDRCPDBKULXDAF-UHFFFAOYSA-N 1 2 299.330 2.665 50 5 CFBALO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000026737061 346266426 /nfs/dbraw/zinc/26/64/26/346266426.db2.gz DDRCPDBKULXDAF-UHFFFAOYSA-N 1 2 299.330 2.665 50 5 CFBALO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000019537355 372173785 /nfs/dbraw/zinc/17/37/85/372173785.db2.gz GOUKYIOTIAGEJM-UHFFFAOYSA-N 1 2 258.277 2.746 50 5 CFBALO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000019537355 372173792 /nfs/dbraw/zinc/17/37/92/372173792.db2.gz GOUKYIOTIAGEJM-UHFFFAOYSA-N 1 2 258.277 2.746 50 5 CFBALO O=[N+]([O-])c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000024528263 372276194 /nfs/dbraw/zinc/27/61/94/372276194.db2.gz LDXMGWDMCVCGET-UHFFFAOYSA-N 1 2 297.318 2.911 50 5 CFBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000000292053 371580018 /nfs/dbraw/zinc/58/00/18/371580018.db2.gz RMOBFPPQLYXBGZ-UHFFFAOYSA-N 1 2 287.319 2.510 50 5 CFBALO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])cn3)[nH+]c2c1 ZINC000058145710 373626906 /nfs/dbraw/zinc/62/69/06/373626906.db2.gz ZPTYPFQIUDKCPX-UHFFFAOYSA-N 1 2 283.291 2.558 50 5 CFBALO O=[N+]([O-])c1cnc(NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000095460554 375456639 /nfs/dbraw/zinc/45/66/39/375456639.db2.gz AJVOPMVVGVKXCX-UHFFFAOYSA-N 1 2 295.730 2.732 50 5 CFBALO COc1cc(C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1O ZINC000004977818 393458928 /nfs/dbraw/zinc/45/89/28/393458928.db2.gz WKRUPHVDOOPIGY-UHFFFAOYSA-N 1 2 280.324 2.685 50 5 CFBALO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3c2OCO3)cs1 ZINC000040667260 174367076 /nfs/dbraw/zinc/36/70/76/174367076.db2.gz IUEIQFMYYNZCCE-UHFFFAOYSA-N 1 2 292.316 2.675 50 5 CFBALO O=[N+]([O-])c1ccc(SCc2c[nH+]c3ccccn23)nc1 ZINC000095990932 185058190 /nfs/dbraw/zinc/05/81/90/185058190.db2.gz DKIHDZBBXIIAJX-UHFFFAOYSA-N 1 2 286.316 2.930 50 5 CFBALO CN1CCC[NH2+][C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000019324411 372155732 /nfs/dbraw/zinc/15/57/32/372155732.db2.gz IUCJHOOQKNIHBO-HNNXBMFYSA-N 1 2 287.319 2.779 50 5 CFBALO CCc1cc(-n2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000059984876 373685253 /nfs/dbraw/zinc/68/52/53/373685253.db2.gz XGZWNQGSCIESQA-UHFFFAOYSA-N 1 2 295.302 2.800 50 5 CFBALO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004989211 393459005 /nfs/dbraw/zinc/45/90/05/393459005.db2.gz GZNWIDZNPDLZHS-PHIMTYICSA-N 1 2 294.351 2.787 50 5 CFBALO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004989211 393459008 /nfs/dbraw/zinc/45/90/08/393459008.db2.gz GZNWIDZNPDLZHS-PHIMTYICSA-N 1 2 294.351 2.787 50 5 CFBALO Cc1ccc([N+](=O)[O-])c(OCCCCn2cc[nH+]c2)c1 ZINC000004841127 170027609 /nfs/dbraw/zinc/02/76/09/170027609.db2.gz FIKBJRLSNOMTPY-UHFFFAOYSA-N 1 2 275.308 2.959 50 5 CFBALO O=[N+]([O-])c1ccc(Sc2[nH+]cc3ccccn32)nc1 ZINC000000167005 371547012 /nfs/dbraw/zinc/54/70/12/371547012.db2.gz DYZRTFXVHVWESY-UHFFFAOYSA-N 1 2 272.289 2.789 50 5 CFBALO COc1cccc2c1oc(=O)c1c(N)[nH+]c3c(c21)CCCC3 ZINC000019904819 372206816 /nfs/dbraw/zinc/20/68/16/372206816.db2.gz KMHAJEWOJQHZIL-UHFFFAOYSA-N 1 2 296.326 2.811 50 5 CFBALO COc1cc(C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004988782 170049492 /nfs/dbraw/zinc/04/94/92/170049492.db2.gz YNJCROCXSWJEJP-JTQLQIEISA-N 1 2 280.324 2.541 50 5 CFBALO COc1cc(C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004988782 170049493 /nfs/dbraw/zinc/04/94/93/170049493.db2.gz YNJCROCXSWJEJP-JTQLQIEISA-N 1 2 280.324 2.541 50 5 CFBALO Cc1cnc(OCc2c[nH+]c3ccccn23)c([N+](=O)[O-])c1 ZINC000095990880 185058601 /nfs/dbraw/zinc/05/86/01/185058601.db2.gz MELORFBLIIPYCU-UHFFFAOYSA-N 1 2 284.275 2.525 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051994546 346509216 /nfs/dbraw/zinc/50/92/16/346509216.db2.gz BZJOSDMHSSVIOF-GJZGRUSLSA-N 1 2 276.336 2.738 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051994546 346509220 /nfs/dbraw/zinc/50/92/20/346509220.db2.gz BZJOSDMHSSVIOF-GJZGRUSLSA-N 1 2 276.336 2.738 50 5 CFBALO Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000092349425 180367146 /nfs/dbraw/zinc/36/71/46/180367146.db2.gz KMMVBMYCRNTFIR-UHFFFAOYSA-N 1 2 293.229 2.829 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994549 346509467 /nfs/dbraw/zinc/50/94/67/346509467.db2.gz BZJOSDMHSSVIOF-LSDHHAIUSA-N 1 2 276.336 2.738 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994549 346509471 /nfs/dbraw/zinc/50/94/71/346509471.db2.gz BZJOSDMHSSVIOF-LSDHHAIUSA-N 1 2 276.336 2.738 50 5 CFBALO O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000032779264 372462851 /nfs/dbraw/zinc/46/28/51/372462851.db2.gz DYAWAMIKCGMGKF-UHFFFAOYSA-N 1 2 299.334 2.597 50 5 CFBALO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000032779265 372463201 /nfs/dbraw/zinc/46/32/01/372463201.db2.gz XLVNMAUJGDDXOS-UHFFFAOYSA-N 1 2 299.334 2.597 50 5 CFBALO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000057877374 373616172 /nfs/dbraw/zinc/61/61/72/373616172.db2.gz MECGXYYGPWRBEW-UHFFFAOYSA-N 1 2 283.291 2.521 50 5 CFBALO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000001431598 285108437 /nfs/dbraw/zinc/10/84/37/285108437.db2.gz AMBCTHJMQPHRGP-UHFFFAOYSA-N 1 2 257.171 2.799 50 5 CFBALO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000269407949 132166323 /nfs/dbraw/zinc/16/63/23/132166323.db2.gz WIVRVEDCFQELDS-SECBINFHSA-N 1 2 295.730 2.588 50 5 CFBALO Cc1cc[nH+]c([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000585092451 395099852 /nfs/dbraw/zinc/09/98/52/395099852.db2.gz XMGFYFZBCYLODQ-LBPRGKRZSA-N 1 2 284.319 2.687 50 5 CFBALO Cc1cc[nH+]c([C@@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000585092472 395099895 /nfs/dbraw/zinc/09/98/95/395099895.db2.gz YVNLAWDUBZYVCC-CYBMUJFWSA-N 1 2 298.346 2.996 50 5 CFBALO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000095985977 185055812 /nfs/dbraw/zinc/05/58/12/185055812.db2.gz SFEAUONJOYSSTE-SECBINFHSA-N 1 2 292.364 2.914 50 5 CFBALO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2ccccc2)cs1 ZINC000069349384 374056308 /nfs/dbraw/zinc/05/63/08/374056308.db2.gz SNBVFNAPUCBSQU-UHFFFAOYSA-N 1 2 292.360 2.651 50 5 CFBALO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2ccccc2)cs1 ZINC000069349384 374056313 /nfs/dbraw/zinc/05/63/13/374056313.db2.gz SNBVFNAPUCBSQU-UHFFFAOYSA-N 1 2 292.360 2.651 50 5 CFBALO Cc1ccc(OCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008310998 170330162 /nfs/dbraw/zinc/33/01/62/170330162.db2.gz ITOYBUOIOCHELP-UHFFFAOYSA-N 1 2 261.281 2.569 50 5 CFBALO Cc1cc(NC2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000076426267 177024263 /nfs/dbraw/zinc/02/42/63/177024263.db2.gz UMUSHFHPDYOBTB-UHFFFAOYSA-N 1 2 270.292 2.935 50 5 CFBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000000139635 280356497 /nfs/dbraw/zinc/35/64/97/280356497.db2.gz JSZWGVPOLFJCQQ-UHFFFAOYSA-N 1 2 257.171 2.799 50 5 CFBALO C[C@@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000019633108 372178991 /nfs/dbraw/zinc/17/89/91/372178991.db2.gz KUPZNMSOLPZTTB-MVTQWGDUSA-N 1 2 276.336 2.717 50 5 CFBALO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000031596683 393508531 /nfs/dbraw/zinc/50/85/31/393508531.db2.gz PWQNAUQOWNUXPM-UHFFFAOYSA-N 1 2 257.249 2.551 50 5 CFBALO [NH3+]C1=Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1 ZINC000103257905 279618283 /nfs/dbraw/zinc/61/82/83/279618283.db2.gz UHASXIOPIKXBBF-UHFFFAOYSA-N 1 2 267.288 2.872 50 5 CFBALO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccccc1 ZINC000096492680 230382992 /nfs/dbraw/zinc/38/29/92/230382992.db2.gz ZJNJYLFSCVEKCC-CQSZACIVSA-N 1 2 290.294 2.557 50 5 CFBALO COC(=O)c1ccc(-c2c[nH+]cn2C(C)C)c([N+](=O)[O-])c1 ZINC000725246016 539560463 /nfs/dbraw/zinc/56/04/63/539560463.db2.gz OXVCZUOGKFGBOS-UHFFFAOYSA-N 1 2 289.291 2.826 50 5 CFBALO Cn1c[nH+]cc1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000097094800 347706699 /nfs/dbraw/zinc/70/66/99/347706699.db2.gz RWKYPJAHEOAKCW-UHFFFAOYSA-N 1 2 289.320 2.550 50 5 CFBALO O=[N+]([O-])c1ccccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000058167913 373628640 /nfs/dbraw/zinc/62/86/40/373628640.db2.gz WHRMWZNEVQPZOP-UHFFFAOYSA-N 1 2 272.308 2.633 50 5 CFBALO COc1cc(CNc2c[nH+]cc(C)c2)c([N+](=O)[O-])cc1O ZINC000095430908 375445367 /nfs/dbraw/zinc/44/53/67/375445367.db2.gz XVZJWSXSAMFPJE-UHFFFAOYSA-N 1 2 289.291 2.625 50 5 CFBALO Cc1cnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000220923289 382796676 /nfs/dbraw/zinc/79/66/76/382796676.db2.gz DBXUTNKBPGWRAO-JTQLQIEISA-N 1 2 261.281 2.742 50 5 CFBALO O=[N+]([O-])c1ccc(C2=CSC3=[NH+]CCCN23)cc1 ZINC000100817715 296503267 /nfs/dbraw/zinc/50/32/67/296503267.db2.gz JYZUBKIRRLELEH-UHFFFAOYSA-N 1 2 261.306 2.702 50 5 CFBALO Cc1cc(OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000013153828 372018560 /nfs/dbraw/zinc/01/85/60/372018560.db2.gz JMTCLPAEXQRITQ-UHFFFAOYSA-N 1 2 261.281 2.569 50 5 CFBALO Cc1[nH+]c2ccccc2n1CCNc1ncccc1[N+](=O)[O-] ZINC000026760462 372328048 /nfs/dbraw/zinc/32/80/48/372328048.db2.gz BPDATYFWUUFGNL-UHFFFAOYSA-N 1 2 297.318 2.760 50 5 CFBALO O=[N+]([O-])c1cc(C[NH+]2CCSCC2)ccc1Cl ZINC000055542964 373555741 /nfs/dbraw/zinc/55/57/41/373555741.db2.gz SECYBXXBYONUKK-UHFFFAOYSA-N 1 2 272.757 2.797 50 5 CFBALO CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000097095755 375516004 /nfs/dbraw/zinc/51/60/04/375516004.db2.gz RVFPQUPYVBSTCQ-SECBINFHSA-N 1 2 291.267 2.789 50 5 CFBALO COC1(c2ccccc2)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328595124 382552167 /nfs/dbraw/zinc/55/21/67/382552167.db2.gz LMDHXTZEPLGIGX-UHFFFAOYSA-N 1 2 298.342 2.952 50 5 CFBALO Cc1cnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000220923222 382796788 /nfs/dbraw/zinc/79/67/88/382796788.db2.gz DBXUTNKBPGWRAO-SNVBAGLBSA-N 1 2 261.281 2.742 50 5 CFBALO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)nc1-c1ccccc1 ZINC000090067620 285108517 /nfs/dbraw/zinc/10/85/17/285108517.db2.gz INDZIDOKVLGWDR-UHFFFAOYSA-N 1 2 266.260 2.843 50 5 CFBALO C[NH+](C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 ZINC000004706628 170002703 /nfs/dbraw/zinc/00/27/03/170002703.db2.gz PHNKKLDMLMQQKH-PKNBQFBNSA-N 1 2 257.293 2.791 50 5 CFBALO Nc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000006025529 170169829 /nfs/dbraw/zinc/16/98/29/170169829.db2.gz CUMAIOKVIJOHQX-UHFFFAOYSA-N 1 2 254.249 2.720 50 5 CFBALO Cc1cccn2cc(COc3cccnc3[N+](=O)[O-])[nH+]c12 ZINC000009378181 170375201 /nfs/dbraw/zinc/37/52/01/170375201.db2.gz QBRNVWLNAUWEID-UHFFFAOYSA-N 1 2 284.275 2.525 50 5 CFBALO Cc1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000088727620 302348605 /nfs/dbraw/zinc/34/86/05/302348605.db2.gz OTITXZCFNCLDHF-NSHDSACASA-N 1 2 287.323 2.753 50 5 CFBALO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000092612562 347634971 /nfs/dbraw/zinc/63/49/71/347634971.db2.gz IZJRATDANBKTEC-NSHDSACASA-N 1 2 274.324 2.848 50 5 CFBALO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCCCCC1 ZINC000000212215 371559302 /nfs/dbraw/zinc/55/93/02/371559302.db2.gz DQQYLYJVMRIYEK-UHFFFAOYSA-N 1 2 250.298 2.676 50 5 CFBALO O=[N+]([O-])c1cc(C[NH+]2CCCCCC2)ccc1O ZINC000000182661 371551901 /nfs/dbraw/zinc/55/19/01/371551901.db2.gz ZQCUNZDYCNGTEP-UHFFFAOYSA-N 1 2 250.298 2.676 50 5 CFBALO Cn1c(NC(=N)c2ccc([N+](=O)[O-])cc2)[nH+]c2ccccc21 ZINC000000351139 371592953 /nfs/dbraw/zinc/59/29/53/371592953.db2.gz PYOOYWRPVASCLE-UHFFFAOYSA-N 1 2 295.302 2.919 50 5 CFBALO COc1cc[nH+]cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058177839 373629310 /nfs/dbraw/zinc/62/93/10/373629310.db2.gz LYMWQUWNEWFYOR-UHFFFAOYSA-N 1 2 288.263 2.642 50 5 CFBALO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)cc1 ZINC000253417627 383457838 /nfs/dbraw/zinc/45/78/38/383457838.db2.gz NZCSZCGQFWCYPX-UHFFFAOYSA-N 1 2 268.276 2.855 50 5 CFBALO COc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004989214 170049906 /nfs/dbraw/zinc/04/99/06/170049906.db2.gz GZNWIDZNPDLZHS-GHMZBOCLSA-N 1 2 294.351 2.787 50 5 CFBALO O=C(C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004313621 326811194 /nfs/dbraw/zinc/81/11/94/326811194.db2.gz MLPXKPDPFGCEFN-UHFFFAOYSA-N 1 2 297.742 2.673 50 5 CFBALO C[C@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000019633117 372178689 /nfs/dbraw/zinc/17/86/89/372178689.db2.gz KUPZNMSOLPZTTB-YTDWTQRBSA-N 1 2 276.336 2.717 50 5 CFBALO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2ccsc2)cs1 ZINC000069570266 374073997 /nfs/dbraw/zinc/07/39/97/374073997.db2.gz CWTDHEUVBXILJX-UHFFFAOYSA-N 1 2 298.389 2.712 50 5 CFBALO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2ccsc2)cs1 ZINC000069570266 374074006 /nfs/dbraw/zinc/07/40/06/374074006.db2.gz CWTDHEUVBXILJX-UHFFFAOYSA-N 1 2 298.389 2.712 50 5 CFBALO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000089575542 374925268 /nfs/dbraw/zinc/92/52/68/374925268.db2.gz PCUFQMOYTFOVEJ-UHFFFAOYSA-N 1 2 285.303 2.788 50 5 CFBALO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000071772742 280910904 /nfs/dbraw/zinc/91/09/04/280910904.db2.gz BAPPJGGUEQSRQB-UHFFFAOYSA-N 1 2 271.276 2.859 50 5 CFBALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032819877 372466827 /nfs/dbraw/zinc/46/68/27/372466827.db2.gz HIRKUHWIARPYAD-AWEZNQCLSA-N 1 2 292.335 2.512 50 5 CFBALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032819877 372466833 /nfs/dbraw/zinc/46/68/33/372466833.db2.gz HIRKUHWIARPYAD-AWEZNQCLSA-N 1 2 292.335 2.512 50 5 CFBALO O=[N+]([O-])c1cccnc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000051123128 373388550 /nfs/dbraw/zinc/38/85/50/373388550.db2.gz DMPXAHYHTOKVDR-UHFFFAOYSA-N 1 2 283.291 2.521 50 5 CFBALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070980690 374210861 /nfs/dbraw/zinc/21/08/61/374210861.db2.gz MVKJFVIGDDHTBK-AWEZNQCLSA-N 1 2 292.335 2.512 50 5 CFBALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070980690 374210867 /nfs/dbraw/zinc/21/08/67/374210867.db2.gz MVKJFVIGDDHTBK-AWEZNQCLSA-N 1 2 292.335 2.512 50 5 CFBALO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000000084598 285108425 /nfs/dbraw/zinc/10/84/25/285108425.db2.gz ZXISXARVSGCUHU-UHFFFAOYSA-N 1 2 254.249 2.571 50 5 CFBALO O=[N+]([O-])c1cccc(OCCCCn2cc[nH+]c2)c1 ZINC000004842996 170028976 /nfs/dbraw/zinc/02/89/76/170028976.db2.gz NZDJKZXCNUGJDV-UHFFFAOYSA-N 1 2 261.281 2.651 50 5 CFBALO Cc1cc(N)nc(SCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000009378815 170375100 /nfs/dbraw/zinc/37/51/00/170375100.db2.gz JTQFRLUWMJEGDV-UHFFFAOYSA-N 1 2 276.321 2.568 50 5 CFBALO [NH2+]=C1c2ccccc2CN1c1ccc([N+](=O)[O-])cc1 ZINC000003899370 283271123 /nfs/dbraw/zinc/27/11/23/283271123.db2.gz KAXPDKKGSXBIGM-UHFFFAOYSA-N 1 2 253.261 2.940 50 5 CFBALO C[NH+](C)c1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1 ZINC000002546529 371734838 /nfs/dbraw/zinc/73/48/38/371734838.db2.gz UUUAGBWTXOQAJF-UHFFFAOYSA-N 1 2 282.303 3.000 50 5 CFBALO CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000097095754 375515964 /nfs/dbraw/zinc/51/59/64/375515964.db2.gz RVFPQUPYVBSTCQ-VIFPVBQESA-N 1 2 291.267 2.789 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000298694183 381714426 /nfs/dbraw/zinc/71/44/26/381714426.db2.gz BZJOSDMHSSVIOF-CABCVRRESA-N 1 2 276.336 2.738 50 5 CFBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000298694183 381714430 /nfs/dbraw/zinc/71/44/30/381714430.db2.gz BZJOSDMHSSVIOF-CABCVRRESA-N 1 2 276.336 2.738 50 5 CFBALO Cc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000096492255 534554987 /nfs/dbraw/zinc/55/49/87/534554987.db2.gz VSCAZOYEIPOZLJ-UHFFFAOYSA-N 1 2 275.308 2.916 50 5 CFBALO COc1ccc(CNc2c[nH+]cc(C)c2)cc1[N+](=O)[O-] ZINC000096483187 230380442 /nfs/dbraw/zinc/38/04/42/230380442.db2.gz MBKJPIUWQWDHMT-UHFFFAOYSA-N 1 2 273.292 2.919 50 5 CFBALO Cc1cc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000092254240 180353537 /nfs/dbraw/zinc/35/35/37/180353537.db2.gz QIHVPCPSXXELNI-UHFFFAOYSA-N 1 2 275.308 2.832 50 5 CFBALO Cc1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000092254240 180353539 /nfs/dbraw/zinc/35/35/39/180353539.db2.gz QIHVPCPSXXELNI-UHFFFAOYSA-N 1 2 275.308 2.832 50 5 CFBALO CCCOc1ccc(Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000013154587 372018772 /nfs/dbraw/zinc/01/87/72/372018772.db2.gz POEMIFBVEVQSEZ-UHFFFAOYSA-N 1 2 261.281 2.628 50 5 CFBALO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nc1 ZINC000025058280 372289190 /nfs/dbraw/zinc/28/91/90/372289190.db2.gz JJQQCCZZILVOIW-UHFFFAOYSA-N 1 2 299.334 2.597 50 5 CFBALO O=[N+]([O-])c1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000025347533 372296593 /nfs/dbraw/zinc/29/65/93/372296593.db2.gz BRINMXOBTMXZEE-UHFFFAOYSA-N 1 2 268.276 2.855 50 5 CFBALO COc1cccc(C[NH2+]Cc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000069901218 374109034 /nfs/dbraw/zinc/10/90/34/374109034.db2.gz CQTCBAPOVRVBFP-UHFFFAOYSA-N 1 2 288.303 2.599 50 5 CFBALO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000269407950 132166367 /nfs/dbraw/zinc/16/63/67/132166367.db2.gz WIVRVEDCFQELDS-VIFPVBQESA-N 1 2 295.730 2.588 50 5 CFBALO C[NH+](C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000004739848 170008142 /nfs/dbraw/zinc/00/81/42/170008142.db2.gz AGZODCUWCYNXLW-UHFFFAOYSA-N 1 2 258.281 2.799 50 5 CFBALO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1C ZINC000069664735 374083494 /nfs/dbraw/zinc/08/34/94/374083494.db2.gz IKJGQAFDZVKEKD-UHFFFAOYSA-N 1 2 286.291 2.592 50 5 CFBALO COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004989213 170050134 /nfs/dbraw/zinc/05/01/34/170050134.db2.gz GZNWIDZNPDLZHS-QWRGUYRKSA-N 1 2 294.351 2.787 50 5 CFBALO C[N@@H+]1CCC/C1=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000019911486 277035448 /nfs/dbraw/zinc/03/54/48/277035448.db2.gz JZOYMNQQWMAWMO-JXMROGBWSA-N 1 2 263.253 2.570 50 5 CFBALO C[N@H+]1CCC/C1=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000019911486 277035449 /nfs/dbraw/zinc/03/54/49/277035449.db2.gz JZOYMNQQWMAWMO-JXMROGBWSA-N 1 2 263.253 2.570 50 5 CFBALO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccccc1 ZINC000096492681 230383059 /nfs/dbraw/zinc/38/30/59/230383059.db2.gz ZJNJYLFSCVEKCC-AWEZNQCLSA-N 1 2 290.294 2.557 50 5 CFBALO O=[N+]([O-])c1cccc([C@H](O)Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000012556782 371976358 /nfs/dbraw/zinc/97/63/58/371976358.db2.gz IPWHQASIXPCNOF-CQSZACIVSA-N 1 2 283.287 2.747 50 5 CFBALO Nc1[nH+]c2c(c3c4ccccc4oc(=O)c13)CCCC2 ZINC000019335700 372157155 /nfs/dbraw/zinc/15/71/55/372157155.db2.gz OHHWGLFXYZXNJO-UHFFFAOYSA-N 1 2 266.300 2.802 50 5 CFBALO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000009378397 170375130 /nfs/dbraw/zinc/37/51/30/170375130.db2.gz XCEXCGHUTQGETD-UHFFFAOYSA-N 1 2 280.715 2.947 50 5 CFBALO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000095462533 375457174 /nfs/dbraw/zinc/45/71/74/375457174.db2.gz FIGJOYVMGVCUHJ-SNVBAGLBSA-N 1 2 275.283 2.980 50 5 CFBALO C/C(=C/c1oc2ccc(O)cc2c1[N+](=O)[O-])[NH+](C)C ZINC000096179315 375475978 /nfs/dbraw/zinc/47/59/78/375475978.db2.gz MCMIIAYTZSTANM-VURMDHGXSA-N 1 2 262.265 2.969 50 5 CFBALO Cc1cc[nH+]c([C@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000585092473 395100496 /nfs/dbraw/zinc/10/04/96/395100496.db2.gz YVNLAWDUBZYVCC-ZDUSSCGKSA-N 1 2 298.346 2.996 50 5 CFBALO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004988780 170049568 /nfs/dbraw/zinc/04/95/68/170049568.db2.gz YNJCROCXSWJEJP-SNVBAGLBSA-N 1 2 280.324 2.541 50 5 CFBALO COc1cc(C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1O ZINC000004988780 170049569 /nfs/dbraw/zinc/04/95/69/170049569.db2.gz YNJCROCXSWJEJP-SNVBAGLBSA-N 1 2 280.324 2.541 50 5 CFBALO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000095940883 185036519 /nfs/dbraw/zinc/03/65/19/185036519.db2.gz MBOBPIIDYUNIKB-AWEZNQCLSA-N 1 2 286.335 2.963 50 5 CFBALO Cc1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000095940883 185036520 /nfs/dbraw/zinc/03/65/20/185036520.db2.gz MBOBPIIDYUNIKB-AWEZNQCLSA-N 1 2 286.335 2.963 50 5 CFBALO O=c1cc(C[NH+]2CCOCC2)c2c(ccc3ccccc32)o1 ZINC000020358144 372237608 /nfs/dbraw/zinc/23/76/08/372237608.db2.gz MHWXCDHHISXDKG-UHFFFAOYSA-N 1 2 295.338 2.778 50 5 CFBALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070980692 374211270 /nfs/dbraw/zinc/21/12/70/374211270.db2.gz MVKJFVIGDDHTBK-CQSZACIVSA-N 1 2 292.335 2.512 50 5 CFBALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070980692 374211274 /nfs/dbraw/zinc/21/12/74/374211274.db2.gz MVKJFVIGDDHTBK-CQSZACIVSA-N 1 2 292.335 2.512 50 5 CFBALO COc1cc(NCCc2ccc(C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000080981868 374679126 /nfs/dbraw/zinc/67/91/26/374679126.db2.gz NDPVCWZWIJFVOU-UHFFFAOYSA-N 1 2 287.319 2.961 50 5 CFBALO Cc1cccn2cc(CCNc3ncccc3[N+](=O)[O-])[nH+]c12 ZINC000080675739 177689263 /nfs/dbraw/zinc/68/92/63/177689263.db2.gz UORALKGNPMUQCX-UHFFFAOYSA-N 1 2 297.318 2.601 50 5 CFBALO CC(C)c1nn(C)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])o1 ZINC000093867112 375323063 /nfs/dbraw/zinc/32/30/63/375323063.db2.gz QLAGQODKAAFKTO-UHFFFAOYSA-N 1 2 292.339 2.677 50 5 CFBALO CC(C)c1nn(C)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])o1 ZINC000093867112 375323066 /nfs/dbraw/zinc/32/30/66/375323066.db2.gz QLAGQODKAAFKTO-UHFFFAOYSA-N 1 2 292.339 2.677 50 5 CFBALO CCCCn1c2nc[nH+]c(N)c2c2nc3ccccc3nc21 ZINC000001772795 275986539 /nfs/dbraw/zinc/98/65/39/275986539.db2.gz FNSAMOVFKSELJH-UHFFFAOYSA-N 1 2 292.346 2.910 50 5 CFBALO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000091506319 180176163 /nfs/dbraw/zinc/17/61/63/180176163.db2.gz MYKYRALSYCSDIJ-UHFFFAOYSA-N 1 2 295.302 2.788 50 5 CFBALO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000183739705 189366940 /nfs/dbraw/zinc/36/69/40/189366940.db2.gz ARZJBGZKDDPIID-UHFFFAOYSA-N 1 2 263.322 2.683 50 5 CFBALO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000183739705 189366941 /nfs/dbraw/zinc/36/69/41/189366941.db2.gz ARZJBGZKDDPIID-UHFFFAOYSA-N 1 2 263.322 2.683 50 5 CFBALO O=[N+]([O-])c1c(F)cccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000071899529 374230098 /nfs/dbraw/zinc/23/00/98/374230098.db2.gz QKRXEWWASAKDAT-UHFFFAOYSA-N 1 2 290.298 2.772 50 5 CFBALO C[N@@H+]1CCC/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100269709 375616829 /nfs/dbraw/zinc/61/68/29/375616829.db2.gz JZOYMNQQWMAWMO-YFHOEESVSA-N 1 2 263.253 2.570 50 5 CFBALO C[N@H+]1CCC/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100269709 375616839 /nfs/dbraw/zinc/61/68/39/375616839.db2.gz JZOYMNQQWMAWMO-YFHOEESVSA-N 1 2 263.253 2.570 50 5 CFBALO O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000012509841 393472735 /nfs/dbraw/zinc/47/27/35/393472735.db2.gz UWMACPUJVRGWAU-UHFFFAOYSA-N 1 2 285.307 2.729 50 5 CFBALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032819878 393515684 /nfs/dbraw/zinc/51/56/84/393515684.db2.gz HIRKUHWIARPYAD-CQSZACIVSA-N 1 2 292.335 2.512 50 5 CFBALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032819878 393515691 /nfs/dbraw/zinc/51/56/91/393515691.db2.gz HIRKUHWIARPYAD-CQSZACIVSA-N 1 2 292.335 2.512 50 5 CFBALO Cc1cc2nc(C(F)(F)F)n3c4ccccc4[nH+]c3n2n1 ZINC000012602652 292022767 /nfs/dbraw/zinc/02/27/67/292022767.db2.gz CBADCYNFCYXPTA-UHFFFAOYSA-N 1 2 291.236 2.857 50 5 CFBALO Cc1ncccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000095982609 185054074 /nfs/dbraw/zinc/05/40/74/185054074.db2.gz AYJOUPCPNHJNEY-UHFFFAOYSA-N 1 2 271.320 2.930 50 5 CFBALO Cc1ncccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000095982609 185054076 /nfs/dbraw/zinc/05/40/76/185054076.db2.gz AYJOUPCPNHJNEY-UHFFFAOYSA-N 1 2 271.320 2.930 50 5 CFBALO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCOCC2)o1 ZINC000023280994 372255874 /nfs/dbraw/zinc/25/58/74/372255874.db2.gz YDERQNWDJFMGNQ-UHFFFAOYSA-N 1 2 288.303 2.687 50 5 CFBALO Nc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000170610800 379129320 /nfs/dbraw/zinc/12/93/20/379129320.db2.gz QEDFLYJFYWJGFS-UHFFFAOYSA-N 1 2 278.699 2.838 50 5 CFBALO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000095940882 393814708 /nfs/dbraw/zinc/81/47/08/393814708.db2.gz MBOBPIIDYUNIKB-CQSZACIVSA-N 1 2 286.335 2.963 50 5 CFBALO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000095940882 393814710 /nfs/dbraw/zinc/81/47/10/393814710.db2.gz MBOBPIIDYUNIKB-CQSZACIVSA-N 1 2 286.335 2.963 50 5 CFBALO Cc1cc[nH+]c([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000585092450 395100442 /nfs/dbraw/zinc/10/04/42/395100442.db2.gz XMGFYFZBCYLODQ-GFCCVEGCSA-N 1 2 284.319 2.687 50 5 CFBALO Cc1ccc(OCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000006404475 170199267 /nfs/dbraw/zinc/19/92/67/170199267.db2.gz LHVHOJILFZETBG-UHFFFAOYSA-N 1 2 275.308 2.959 50 5 CFBALO Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])n1 ZINC000007154156 170269106 /nfs/dbraw/zinc/26/91/06/170269106.db2.gz YRHOARGFCJMTMU-UHFFFAOYSA-N 1 2 298.302 2.833 50 5 CFBALO O=[N+]([O-])c1cc(C[NH+]2CCCCC2)c2cccnc2c1O ZINC000022310575 171384317 /nfs/dbraw/zinc/38/43/17/171384317.db2.gz JWKGACBKSADRLS-UHFFFAOYSA-N 1 2 287.319 2.835 50 5 CFBALO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096004594 185063440 /nfs/dbraw/zinc/06/34/40/185063440.db2.gz IULNNIMVJGCMKC-UHFFFAOYSA-N 1 2 293.666 2.601 50 5 CFBALO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000092612561 347635174 /nfs/dbraw/zinc/63/51/74/347635174.db2.gz IZJRATDANBKTEC-LLVKDONJSA-N 1 2 274.324 2.848 50 5 CFBALO O=[N+]([O-])c1cc(F)c(NCCCn2cc[nH+]c2)c(F)c1 ZINC000091424641 180152122 /nfs/dbraw/zinc/15/21/22/180152122.db2.gz KMUBHUSXKIWKPG-UHFFFAOYSA-N 1 2 282.250 2.572 50 5 CFBALO O=[N+]([O-])c1cccc([C@@H](O)Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000012556781 371976754 /nfs/dbraw/zinc/97/67/54/371976754.db2.gz IPWHQASIXPCNOF-AWEZNQCLSA-N 1 2 283.287 2.747 50 5 CFBALO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCOCC3)o2)c1 ZINC000019608646 372178384 /nfs/dbraw/zinc/17/83/84/372178384.db2.gz SDFGZLDNNITJDC-UHFFFAOYSA-N 1 2 288.303 2.687 50 5 CFBALO C/C(=C\c1oc2ccc(O)cc2c1[N+](=O)[O-])[NH+](C)C ZINC000055125213 373541680 /nfs/dbraw/zinc/54/16/80/373541680.db2.gz MCMIIAYTZSTANM-SOFGYWHQSA-N 1 2 262.265 2.969 50 5 CFBALO Cc1ccc2[nH+]c(COc3ccc(C)nc3[N+](=O)[O-])cn2c1 ZINC000005267878 170081186 /nfs/dbraw/zinc/08/11/86/170081186.db2.gz OOLMBUBIELLHNO-UHFFFAOYSA-N 1 2 298.302 2.833 50 5 CFBALO