smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000004833196 181158704 /nfs/dbraw/zinc/15/87/04/181158704.db2.gz WLGAWAJQUXVXOJ-KRWDZBQOSA-N 0 3 300.358 2.803 50 5 DFBAHN C[C@@H]1CN(CCCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000016247525 182038892 /nfs/dbraw/zinc/03/88/92/182038892.db2.gz CUQDRTOJGDTTBS-OKILXGFUSA-N 0 3 308.378 2.863 50 5 DFBAHN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCCN=C2c1ccccc1 ZINC000004018202 285098563 /nfs/dbraw/zinc/09/85/63/285098563.db2.gz YDCUUSHKWPAOTM-UHFFFAOYSA-N 0 3 312.285 2.766 50 5 DFBAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000000240952 425548055 /nfs/dbraw/zinc/54/80/55/425548055.db2.gz NNQPFSVBYKDJPY-HNNXBMFYSA-N 0 3 319.405 2.675 50 5 DFBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1ccccn1 ZINC000004187999 425617488 /nfs/dbraw/zinc/61/74/88/425617488.db2.gz GSLQKMWETAUABR-UHFFFAOYSA-N 0 3 316.386 2.551 50 5 DFBAHN CC(=O)c1ccc(N[C@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000229727241 426639714 /nfs/dbraw/zinc/63/97/14/426639714.db2.gz IYLJZXLNWPPNOL-GJZGRUSLSA-N 0 3 303.362 2.836 50 5 DFBAHN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000026729879 425812775 /nfs/dbraw/zinc/81/27/75/425812775.db2.gz DHGDBKJWMWUBTC-ZDUSSCGKSA-N 0 3 312.373 2.849 50 5 DFBAHN CC(C)(C)N1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000069529342 425945394 /nfs/dbraw/zinc/94/53/94/425945394.db2.gz ACUUQULTPYROPU-UHFFFAOYSA-N 0 3 323.368 2.680 50 5 DFBAHN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000004059155 278801826 /nfs/dbraw/zinc/80/18/26/278801826.db2.gz NQZMBQDRJAFXPI-DTORHVGOSA-N 0 3 303.284 2.800 50 5 DFBAHN CN(C)CCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004986651 181184910 /nfs/dbraw/zinc/18/49/10/181184910.db2.gz AUWDWXTWSXZHEV-UHFFFAOYSA-N 0 3 303.362 2.848 50 5 DFBAHN O=[N+]([O-])c1ccc(NCCCN2CCc3ccccc3C2)nc1 ZINC000040083101 183032170 /nfs/dbraw/zinc/03/21/70/183032170.db2.gz BKTCMLIVQAWNBQ-UHFFFAOYSA-N 0 3 312.373 2.850 50 5 DFBAHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000097111383 426451184 /nfs/dbraw/zinc/45/11/84/426451184.db2.gz AVGHJEZOUSZEPG-LBPRGKRZSA-N 0 3 311.345 2.531 50 5 DFBAHN O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCNCC1 ZINC000004571284 275033746 /nfs/dbraw/zinc/03/37/46/275033746.db2.gz NMUJONASFBFSLI-UHFFFAOYSA-N 0 3 322.384 2.524 50 5 DFBAHN CSC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292568336 533806721 /nfs/dbraw/zinc/80/67/21/533806721.db2.gz ZTMIYZHKYVHXCQ-SWLSCSKDSA-N 0 3 310.419 2.703 50 5 DFBAHN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000005461784 181246273 /nfs/dbraw/zinc/24/62/73/181246273.db2.gz OJYBNIADKPXPMQ-UHFFFAOYSA-N 0 3 308.315 2.926 50 5 DFBAHN Cc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000188409530 200241535 /nfs/dbraw/zinc/24/15/35/200241535.db2.gz HHUDGMBAHPMDJM-HNNXBMFYSA-N 0 3 300.362 2.764 50 5 DFBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1 ZINC000004344180 425619546 /nfs/dbraw/zinc/61/95/46/425619546.db2.gz CBTLBNSQWKCFPH-UHFFFAOYSA-N 0 3 312.373 2.617 50 5 DFBAHN O=[N+]([O-])c1ccc(CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000036062138 425844759 /nfs/dbraw/zinc/84/47/59/425844759.db2.gz ZVFMCHZKQINZFX-CQSZACIVSA-N 0 3 300.314 2.524 50 5 DFBAHN COc1cccc(OC)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000097021072 185398290 /nfs/dbraw/zinc/39/82/90/185398290.db2.gz MPWIURVMBIOCMQ-UHFFFAOYSA-N 0 3 316.357 2.944 50 5 DFBAHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CCC(N)=O)C1 ZINC000097233696 398665668 /nfs/dbraw/zinc/66/56/68/398665668.db2.gz QSEVNJDWCBMFIJ-ZIAGYGMSSA-N 0 3 319.405 2.942 50 5 DFBAHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccccc1)OCO2 ZINC000019720810 182138774 /nfs/dbraw/zinc/13/87/74/182138774.db2.gz YKARHSLPTXGTHZ-UHFFFAOYSA-N 0 3 300.314 2.656 50 5 DFBAHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000025371205 425804114 /nfs/dbraw/zinc/80/41/14/425804114.db2.gz NSEJIQXXVPEWBY-AWEZNQCLSA-N 0 3 304.325 2.844 50 5 DFBAHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000036093461 278357713 /nfs/dbraw/zinc/35/77/13/278357713.db2.gz AVLGWDQMJOYJQR-SJKOYZFVSA-N 0 3 314.341 2.913 50 5 DFBAHN CS[C@@H]1CCC[C@H]1N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000221949463 542882860 /nfs/dbraw/zinc/88/28/60/542882860.db2.gz VIGZCXGIFZTHTL-RBSFLKMASA-N 0 3 310.419 2.844 50 5 DFBAHN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000004059157 274362965 /nfs/dbraw/zinc/36/29/65/274362965.db2.gz NQZMBQDRJAFXPI-RKDXNWHRSA-N 0 3 303.284 2.800 50 5 DFBAHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000102095942 274711195 /nfs/dbraw/zinc/71/11/95/274711195.db2.gz CJGCHVLJWAHYAT-HNNXBMFYSA-N 0 3 324.384 2.902 50 5 DFBAHN CN(C)CCN(Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000095429739 185362637 /nfs/dbraw/zinc/36/26/37/185362637.db2.gz BVPWFNBWEIDFOK-UHFFFAOYSA-N 0 3 300.362 2.558 50 5 DFBAHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCCCC1 ZINC000006637036 181362895 /nfs/dbraw/zinc/36/28/95/181362895.db2.gz OSZPXSKFMKWYLS-UHFFFAOYSA-N 0 3 321.377 2.806 50 5 DFBAHN CCCN1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000017056175 182073301 /nfs/dbraw/zinc/07/33/01/182073301.db2.gz FLDAKXDZYKREAO-UHFFFAOYSA-N 0 3 322.434 2.756 50 5 DFBAHN NC(=O)c1ccc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000064809044 425902124 /nfs/dbraw/zinc/90/21/24/425902124.db2.gz ZQXGZOLLKYHMOV-UHFFFAOYSA-N 0 3 303.362 2.601 50 5 DFBAHN Cc1cc(NCCc2nccn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000096008430 426387428 /nfs/dbraw/zinc/38/74/28/426387428.db2.gz UFWZDGOYJWPQST-UHFFFAOYSA-N 0 3 311.345 2.840 50 5 DFBAHN CSC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292568327 533732709 /nfs/dbraw/zinc/73/27/09/533732709.db2.gz ZTMIYZHKYVHXCQ-DOMZBBRYSA-N 0 3 310.419 2.703 50 5 DFBAHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CCC(N)=O)C1 ZINC000097233698 398665852 /nfs/dbraw/zinc/66/58/52/398665852.db2.gz QSEVNJDWCBMFIJ-UONOGXRCSA-N 0 3 319.405 2.942 50 5 DFBAHN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCCCC1 ZINC000006639388 181363721 /nfs/dbraw/zinc/36/37/21/181363721.db2.gz QFVNGDREAVRWBF-UHFFFAOYSA-N 0 3 321.377 2.806 50 5 DFBAHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000012765521 181795117 /nfs/dbraw/zinc/79/51/17/181795117.db2.gz PTBHUGFYDHSZQC-HNNXBMFYSA-N 0 3 316.361 2.713 50 5 DFBAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000055543276 425893916 /nfs/dbraw/zinc/89/39/16/425893916.db2.gz MAEYICWRXFDJBR-HNNXBMFYSA-N 0 3 319.405 2.675 50 5 DFBAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000055543457 425894093 /nfs/dbraw/zinc/89/40/93/425894093.db2.gz JZPGKOUDIBJEAH-HNNXBMFYSA-N 0 3 319.405 2.675 50 5 DFBAHN CCCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-] ZINC000001903915 425588638 /nfs/dbraw/zinc/58/86/38/425588638.db2.gz JZEBGWMCJWOXJX-UHFFFAOYSA-N 0 3 309.391 2.966 50 5 DFBAHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000097111385 426451089 /nfs/dbraw/zinc/45/10/89/426451089.db2.gz AVGHJEZOUSZEPG-GFCCVEGCSA-N 0 3 311.345 2.531 50 5 DFBAHN Cc1c([C@@H](C)NCCNC(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000095423445 185361254 /nfs/dbraw/zinc/36/12/54/185361254.db2.gz IJNOAYVDWBQHQT-GFCCVEGCSA-N 0 3 307.394 2.716 50 5 DFBAHN CN1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000004986566 181184837 /nfs/dbraw/zinc/18/48/37/181184837.db2.gz OHHUQMRSGSMDBG-UHFFFAOYSA-N 0 3 315.373 2.992 50 5 DFBAHN CNc1ccc(CN2CCC[C@H](c3cn[nH]c3)C2)cc1[N+](=O)[O-] ZINC000092809758 542550468 /nfs/dbraw/zinc/55/04/68/542550468.db2.gz MSACGRBGMPGRLE-ZDUSSCGKSA-N 0 3 315.377 2.739 50 5 DFBAHN Cc1noc(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053639353 425888241 /nfs/dbraw/zinc/88/82/41/425888241.db2.gz UTKZKZKOHUZULN-UHFFFAOYSA-N 0 3 316.361 2.708 50 5 DFBAHN CN1C[C@H]2CN(c3ccc4oc5ccccc5c(=O)c4c3)C[C@@H]2C1 ZINC000043132688 425854444 /nfs/dbraw/zinc/85/44/44/425854444.db2.gz WUJHMDPPANTBTQ-KBPBESRZSA-N 0 3 320.392 2.944 50 5 in-vitro DFBAHN Cc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128415843 426115449 /nfs/dbraw/zinc/11/54/49/426115449.db2.gz QMPMETSOPJWCKG-CQSZACIVSA-N 0 3 300.362 2.626 50 5 DFBAHN CC(=O)N1CC[C@@H](CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000097233691 323209103 /nfs/dbraw/zinc/20/91/03/323209103.db2.gz YITRCDXXCWDSGP-HIFRSBDPSA-N 0 3 319.405 2.764 50 5 DFBAHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701518 183217864 /nfs/dbraw/zinc/21/78/64/183217864.db2.gz AZTQXYFVNZSXNM-CYBMUJFWSA-N 0 3 321.377 2.694 50 5 DFBAHN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000032841244 425840116 /nfs/dbraw/zinc/84/01/16/425840116.db2.gz AVVQCANXIXRVCK-UHFFFAOYSA-N 0 3 320.393 2.981 50 5 DFBAHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000036093459 425844860 /nfs/dbraw/zinc/84/48/60/425844860.db2.gz AVLGWDQMJOYJQR-PXAZEXFGSA-N 0 3 314.341 2.913 50 5 DFBAHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cc2ccccc2o1 ZINC000097111327 426450278 /nfs/dbraw/zinc/45/02/78/426450278.db2.gz HDELWMTWONWOOS-LLVKDONJSA-N 0 3 300.318 2.888 50 5 DFBAHN C[C@H](O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000225728042 426610570 /nfs/dbraw/zinc/61/05/70/426610570.db2.gz KQTJIJUTSSGTBU-UONOGXRCSA-N 0 3 308.378 2.599 50 5 DFBAHN C[C@@H](O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000225728064 426610975 /nfs/dbraw/zinc/61/09/75/426610975.db2.gz KQTJIJUTSSGTBU-ZIAGYGMSSA-N 0 3 308.378 2.599 50 5 DFBAHN CCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000005062951 181198905 /nfs/dbraw/zinc/19/89/05/181198905.db2.gz UKUZPQWZOQLNOY-UHFFFAOYSA-N 0 3 322.434 2.756 50 5 DFBAHN CC(C)C[C@@H](CN(C)C)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032934679 182683522 /nfs/dbraw/zinc/68/35/22/182683522.db2.gz LZRCNEDYCXNUSQ-LBPRGKRZSA-N 0 3 308.382 2.693 50 5 DFBAHN Cc1nn([C@@H]2CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000408525336 257254962 /nfs/dbraw/zinc/25/49/62/257254962.db2.gz XBAWQEVVMDNBPX-OAHLLOKOSA-N 0 3 300.362 2.855 50 5 DFBAHN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000004981121 425620442 /nfs/dbraw/zinc/62/04/42/425620442.db2.gz HIAJFTBTNVXHGH-UHFFFAOYSA-N 0 3 311.385 2.960 50 5 DFBAHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000012765516 425737222 /nfs/dbraw/zinc/73/72/22/425737222.db2.gz PTBHUGFYDHSZQC-OAHLLOKOSA-N 0 3 316.361 2.713 50 5 DFBAHN Cc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128415606 426115510 /nfs/dbraw/zinc/11/55/10/426115510.db2.gz QMPMETSOPJWCKG-AWEZNQCLSA-N 0 3 300.362 2.626 50 5 DFBAHN C[C@H](O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000225727986 426609757 /nfs/dbraw/zinc/60/97/57/426609757.db2.gz KQTJIJUTSSGTBU-KBPBESRZSA-N 0 3 308.378 2.599 50 5 DFBAHN C[C@@H](O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000225728015 426610195 /nfs/dbraw/zinc/61/01/95/426610195.db2.gz KQTJIJUTSSGTBU-KGLIPLIRSA-N 0 3 308.378 2.599 50 5 DFBAHN COc1ccc(CCNCc2ccccc2[N+](=O)[O-])cc1OC ZINC000019841324 182155962 /nfs/dbraw/zinc/15/59/62/182155962.db2.gz QHVXUDZTWFULDI-UHFFFAOYSA-N 0 3 316.357 2.944 50 5 DFBAHN COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])N(C)C)cc1 ZINC000021363912 182273228 /nfs/dbraw/zinc/27/32/28/182273228.db2.gz UYIOCALDCVGACH-HNNXBMFYSA-N 0 3 316.361 2.713 50 5 DFBAHN CNc1ccc(CN2CCC[C@@H](c3cn[nH]c3)C2)cc1[N+](=O)[O-] ZINC000092809759 542550772 /nfs/dbraw/zinc/55/07/72/542550772.db2.gz MSACGRBGMPGRLE-CYBMUJFWSA-N 0 3 315.377 2.739 50 5 DFBAHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 ZINC000055425600 425893657 /nfs/dbraw/zinc/89/36/57/425893657.db2.gz WTVGZZNFMMZVQM-SJKOYZFVSA-N 0 3 314.341 2.913 50 5 DFBAHN COc1cccc([C@H](CNc2ncccc2[N+](=O)[O-])N(C)C)c1 ZINC000007979758 425656118 /nfs/dbraw/zinc/65/61/18/425656118.db2.gz NCCZWWSQALYEPH-HNNXBMFYSA-N 0 3 316.361 2.713 50 5 DFBAHN CN(CCN(CCOc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000225571932 426608340 /nfs/dbraw/zinc/60/83/40/426608340.db2.gz ZFFXZSJRAHHWAG-UHFFFAOYSA-N 0 3 319.405 2.532 50 5 DFBAHN COc1ccc(NC(=O)CN(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000006637032 181363249 /nfs/dbraw/zinc/36/32/49/181363249.db2.gz BTKOMUIOSUYDMM-UHFFFAOYSA-N 0 3 321.377 2.806 50 5 DFBAHN COc1ccc(OC)c(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000019721020 182138124 /nfs/dbraw/zinc/13/81/24/182138124.db2.gz QDBNHZZZUSIPNF-UHFFFAOYSA-N 0 3 316.357 2.944 50 5 DFBAHN COc1cc(NC(=O)CNC2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC000008344430 425667995 /nfs/dbraw/zinc/66/79/95/425667995.db2.gz IRIXVCMUOZKOHR-UHFFFAOYSA-N 0 3 321.377 2.773 50 5 DFBAHN CC(=O)c1ccc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000048343303 278246941 /nfs/dbraw/zinc/24/69/41/278246941.db2.gz ORSWSRVJLMPWBP-OAHLLOKOSA-N 0 3 317.389 2.862 50 5 DFBAHN CN(CCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000004833197 181158848 /nfs/dbraw/zinc/15/88/48/181158848.db2.gz WLGAWAJQUXVXOJ-QGZVFWFLSA-N 0 3 300.358 2.803 50 5 DFBAHN Cc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000069812358 425959352 /nfs/dbraw/zinc/95/93/52/425959352.db2.gz NDXDYNLTRWVNFA-CQSZACIVSA-N 0 3 317.389 2.604 50 5 DFBAHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cc2ccccc2o1 ZINC000097111324 426450707 /nfs/dbraw/zinc/45/07/07/426450707.db2.gz HDELWMTWONWOOS-NSHDSACASA-N 0 3 300.318 2.888 50 5 DFBAHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CN1C1CC1 ZINC000097162527 426456847 /nfs/dbraw/zinc/45/68/47/426456847.db2.gz GUOQVSMJYZRFNC-ONGXEEELSA-N 0 3 323.780 2.603 50 5 DFBAHN CSC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292568332 533733562 /nfs/dbraw/zinc/73/35/62/533733562.db2.gz ZTMIYZHKYVHXCQ-IUODEOHRSA-N 0 3 310.419 2.703 50 5 DFBAHN Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000188409505 200241326 /nfs/dbraw/zinc/24/13/26/200241326.db2.gz HHUDGMBAHPMDJM-OAHLLOKOSA-N 0 3 300.362 2.764 50 5 DFBAHN CC(=O)c1ccc(N[C@@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000047272569 425868685 /nfs/dbraw/zinc/86/86/85/425868685.db2.gz IYLJZXLNWPPNOL-HUUCEWRRSA-N 0 3 303.362 2.836 50 5 DFBAHN Cc1c(NC(=O)N(CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000075105213 426063065 /nfs/dbraw/zinc/06/30/65/426063065.db2.gz UYRATYMXTKDFSG-UHFFFAOYSA-N 0 3 322.409 2.955 50 5 DFBAHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 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