smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521497 /nfs/dbraw/zinc/52/14/97/402521497.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 2 1 319.405 2.044 10 5 DEBEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521499 /nfs/dbraw/zinc/52/14/99/402521499.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521502 /nfs/dbraw/zinc/52/15/02/402521502.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521504 /nfs/dbraw/zinc/52/15/04/402521504.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 2 1 319.405 2.044 10 5 DEBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401646 280376053 /nfs/dbraw/zinc/37/60/53/280376053.db2.gz PMEAXDLHPBNDAQ-LSDHHAIUSA-N 2 1 319.405 2.438 10 5 DEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124015751 402159490 /nfs/dbraw/zinc/15/94/90/402159490.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124015751 402159493 /nfs/dbraw/zinc/15/94/93/402159493.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124015751 402159494 /nfs/dbraw/zinc/15/94/94/402159494.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124015751 402159496 /nfs/dbraw/zinc/15/94/96/402159496.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124015751 402159497 /nfs/dbraw/zinc/15/94/97/402159497.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124015751 402159499 /nfs/dbraw/zinc/15/94/99/402159499.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124015751 402159500 /nfs/dbraw/zinc/15/95/00/402159500.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105862151 194149215 /nfs/dbraw/zinc/14/92/15/194149215.db2.gz LMRWBLCUZOWBFL-CQSZACIVSA-N 2 1 321.421 2.119 10 5 DEBEMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262001408 145252289 /nfs/dbraw/zinc/25/22/89/145252289.db2.gz VDJRUPQNZIHOIL-PBWFPOADSA-N 2 1 305.378 2.318 10 5 DEBEMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262001408 145252290 /nfs/dbraw/zinc/25/22/90/145252290.db2.gz VDJRUPQNZIHOIL-PBWFPOADSA-N 2 1 305.378 2.318 10 5 DEBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124016222 402159576 /nfs/dbraw/zinc/15/95/76/402159576.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124016222 402159578 /nfs/dbraw/zinc/15/95/78/402159578.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124016222 402159581 /nfs/dbraw/zinc/15/95/81/402159581.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124016222 402159582 /nfs/dbraw/zinc/15/95/82/402159582.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124016222 402159584 /nfs/dbraw/zinc/15/95/84/402159584.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124016222 402159587 /nfs/dbraw/zinc/15/95/87/402159587.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124016222 402159590 /nfs/dbraw/zinc/15/95/90/402159590.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105862147 194148691 /nfs/dbraw/zinc/14/86/91/194148691.db2.gz LMRWBLCUZOWBFL-AWEZNQCLSA-N 2 1 321.421 2.119 10 5 DEBEMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259894 402521663 /nfs/dbraw/zinc/52/16/63/402521663.db2.gz KYHRKISXQIUPCL-OIISXLGYSA-N 2 1 319.405 2.044 10 5 DEBEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259894 402521665 /nfs/dbraw/zinc/52/16/65/402521665.db2.gz KYHRKISXQIUPCL-OIISXLGYSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259894 402521668 /nfs/dbraw/zinc/52/16/68/402521668.db2.gz KYHRKISXQIUPCL-OIISXLGYSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259894 402521669 /nfs/dbraw/zinc/52/16/69/402521669.db2.gz KYHRKISXQIUPCL-OIISXLGYSA-N 2 1 319.405 2.044 10 5 DEBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105862177 194149193 /nfs/dbraw/zinc/14/91/93/194149193.db2.gz JZAUYNRULUXNAJ-AWEZNQCLSA-N 2 1 321.421 2.119 10 5 DEBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105862259 194149928 /nfs/dbraw/zinc/14/99/28/194149928.db2.gz NNRHWKQGVCWOGW-AWEZNQCLSA-N 2 1 321.421 2.119 10 5 DEBEMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123878785 402151837 /nfs/dbraw/zinc/15/18/37/402151837.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123878785 402151840 /nfs/dbraw/zinc/15/18/40/402151840.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878785 402151842 /nfs/dbraw/zinc/15/18/42/402151842.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878785 402151845 /nfs/dbraw/zinc/15/18/45/402151845.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 2 1 307.394 2.388 10 5 DEBEMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000246259876 402521677 /nfs/dbraw/zinc/52/16/77/402521677.db2.gz KYHRKISXQIUPCL-HYVNUMGLSA-N 2 1 319.405 2.044 10 5 DEBEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000246259876 402521679 /nfs/dbraw/zinc/52/16/79/402521679.db2.gz KYHRKISXQIUPCL-HYVNUMGLSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000246259876 402521681 /nfs/dbraw/zinc/52/16/81/402521681.db2.gz KYHRKISXQIUPCL-HYVNUMGLSA-N 2 1 319.405 2.044 10 5 DEBEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000246259876 402521682 /nfs/dbraw/zinc/52/16/82/402521682.db2.gz KYHRKISXQIUPCL-HYVNUMGLSA-N 2 1 319.405 2.044 10 5 DEBEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000522059558 406388326 /nfs/dbraw/zinc/38/83/26/406388326.db2.gz QZQLTMSYROFPKB-ILXRZTDVSA-N 2 1 321.425 2.206 10 5 DEBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105862261 194149594 /nfs/dbraw/zinc/14/95/94/194149594.db2.gz NNRHWKQGVCWOGW-CQSZACIVSA-N 2 1 321.421 2.119 10 5 DEBEMP CC[NH+](CC)CC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000738070970 637387175 /nfs/dbraw/zinc/38/71/75/637387175.db2.gz NHQVKCHTRMQSPC-UHFFFAOYSA-N 2 1 323.441 2.419 10 5 DEBEMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123878575 402151552 /nfs/dbraw/zinc/15/15/52/402151552.db2.gz UHIJASXSQHNIKP-ZIAGYGMSSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123878575 402151553 /nfs/dbraw/zinc/15/15/53/402151553.db2.gz UHIJASXSQHNIKP-ZIAGYGMSSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878575 402151555 /nfs/dbraw/zinc/15/15/55/402151555.db2.gz UHIJASXSQHNIKP-ZIAGYGMSSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878575 402151557 /nfs/dbraw/zinc/15/15/57/402151557.db2.gz UHIJASXSQHNIKP-ZIAGYGMSSA-N 2 1 307.394 2.388 10 5 DEBEMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549000 /nfs/dbraw/zinc/54/90/00/402549000.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 2 1 321.421 2.290 10 5 DEBEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549002 /nfs/dbraw/zinc/54/90/02/402549002.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 2 1 321.421 2.290 10 5 DEBEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549005 /nfs/dbraw/zinc/54/90/05/402549005.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 2 1 321.421 2.290 10 5 DEBEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402549006 /nfs/dbraw/zinc/54/90/06/402549006.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 2 1 321.421 2.290 10 5 DEBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105862178 194148683 /nfs/dbraw/zinc/14/86/83/194148683.db2.gz JZAUYNRULUXNAJ-CQSZACIVSA-N 2 1 321.421 2.119 10 5 DEBEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000522059560 406388151 /nfs/dbraw/zinc/38/81/51/406388151.db2.gz QZQLTMSYROFPKB-QLFBSQMISA-N 2 1 321.425 2.206 10 5 DEBEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000522059559 406387844 /nfs/dbraw/zinc/38/78/44/406387844.db2.gz QZQLTMSYROFPKB-KFWWJZLASA-N 2 1 321.425 2.206 10 5 DEBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719058 198375244 /nfs/dbraw/zinc/37/52/44/198375244.db2.gz UXDIEXMYZFDQSS-HNNXBMFYSA-N 2 1 320.437 2.225 10 5 DEBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401643 285164639 /nfs/dbraw/zinc/16/46/39/285164639.db2.gz PMEAXDLHPBNDAQ-CABCVRRESA-N 2 1 319.405 2.438 10 5 DEBEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513571 401781460 /nfs/dbraw/zinc/78/14/60/401781460.db2.gz NEQRXEGARFIULQ-AWEZNQCLSA-N 2 1 307.394 2.247 10 5 DEBEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000522059561 406387909 /nfs/dbraw/zinc/38/79/09/406387909.db2.gz QZQLTMSYROFPKB-RBSFLKMASA-N 2 1 321.425 2.206 10 5 DEBEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123878948 402151519 /nfs/dbraw/zinc/15/15/19/402151519.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123878948 402151520 /nfs/dbraw/zinc/15/15/20/402151520.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878948 402151522 /nfs/dbraw/zinc/15/15/22/402151522.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123878948 402151523 /nfs/dbraw/zinc/15/15/23/402151523.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 2 1 307.394 2.388 10 5 DEBEMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513574 401781682 /nfs/dbraw/zinc/78/16/82/401781682.db2.gz NEQRXEGARFIULQ-CQSZACIVSA-N 2 1 307.394 2.247 10 5 DEBEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124015984 402159904 /nfs/dbraw/zinc/15/99/04/402159904.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124015984 402159906 /nfs/dbraw/zinc/15/99/06/402159906.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124015984 402159909 /nfs/dbraw/zinc/15/99/09/402159909.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124015984 402159914 /nfs/dbraw/zinc/15/99/14/402159914.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124015984 402159919 /nfs/dbraw/zinc/15/99/19/402159919.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124015984 402159922 /nfs/dbraw/zinc/15/99/22/402159922.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124015984 402159925 /nfs/dbraw/zinc/15/99/25/402159925.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 2 1 307.394 2.388 10 5 DEBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401645 285164672 /nfs/dbraw/zinc/16/46/72/285164672.db2.gz PMEAXDLHPBNDAQ-HUUCEWRRSA-N 2 1 319.405 2.438 10 5 DEBEMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124016414 402159523 /nfs/dbraw/zinc/15/95/23/402159523.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124016414 402159525 /nfs/dbraw/zinc/15/95/25/402159525.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124016414 402159526 /nfs/dbraw/zinc/15/95/26/402159526.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124016414 402159527 /nfs/dbraw/zinc/15/95/27/402159527.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124016414 402159528 /nfs/dbraw/zinc/15/95/28/402159528.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124016414 402159530 /nfs/dbraw/zinc/15/95/30/402159530.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000124016414 402159531 /nfs/dbraw/zinc/15/95/31/402159531.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719067 198375169 /nfs/dbraw/zinc/37/51/69/198375169.db2.gz UXDIEXMYZFDQSS-OAHLLOKOSA-N 2 1 320.437 2.225 10 5 DEBEMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123879159 402151609 /nfs/dbraw/zinc/15/16/09/402151609.db2.gz UHIJASXSQHNIKP-KBPBESRZSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123879159 402151611 /nfs/dbraw/zinc/15/16/11/402151611.db2.gz UHIJASXSQHNIKP-KBPBESRZSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123879159 402151614 /nfs/dbraw/zinc/15/16/14/402151614.db2.gz UHIJASXSQHNIKP-KBPBESRZSA-N 2 1 307.394 2.388 10 5 DEBEMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC[NH+]1C ZINC000123879159 402151616 /nfs/dbraw/zinc/15/16/16/402151616.db2.gz UHIJASXSQHNIKP-KBPBESRZSA-N 2 1 307.394 2.388 10 5 DEBEMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401644 275040250 /nfs/dbraw/zinc/04/02/50/275040250.db2.gz PMEAXDLHPBNDAQ-GJZGRUSLSA-N 2 1 319.405 2.438 10 5 DEBEMP