smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040596825 174349184 /nfs/dbraw/zinc/34/91/84/174349184.db2.gz SBKOMOYOTPYLGX-UHFFFAOYSA-N 2 2 295.347 0.781 10 5 CCBELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226622153 636990516 /nfs/dbraw/zinc/99/05/16/636990516.db2.gz ODDJWHLISJQSAL-LBPRGKRZSA-N 2 2 250.302 0.674 10 5 CCBELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226622153 636990521 /nfs/dbraw/zinc/99/05/21/636990521.db2.gz ODDJWHLISJQSAL-LBPRGKRZSA-N 2 2 250.302 0.674 10 5 CCBELP Cc1nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124162421 350090561 /nfs/dbraw/zinc/09/05/61/350090561.db2.gz WZHAYFZOZJBRBG-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP Cc1nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124162421 350090562 /nfs/dbraw/zinc/09/05/62/350090562.db2.gz WZHAYFZOZJBRBG-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263237900 137061187 /nfs/dbraw/zinc/06/11/87/137061187.db2.gz OHDSYWQBHHPEBV-SKDRFNHKSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000263238901 137061280 /nfs/dbraw/zinc/06/12/80/137061280.db2.gz OILLAGNWEMRNGG-BXKDBHETSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000263275146 137062669 /nfs/dbraw/zinc/06/26/69/137062669.db2.gz SSGVXICEGIEYHF-IUCAKERBSA-N 2 2 257.315 0.326 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000262165022 137028770 /nfs/dbraw/zinc/02/87/70/137028770.db2.gz UDGZOCBIOCFOTA-JOYOIKCWSA-N 2 2 269.276 0.404 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263237898 137061314 /nfs/dbraw/zinc/06/13/14/137061314.db2.gz OHDSYWQBHHPEBV-CABZTGNLSA-N 2 2 285.731 0.918 10 5 CCBELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C[NH3+])C1 ZINC000124474687 616247269 /nfs/dbraw/zinc/24/72/69/616247269.db2.gz FSXOIDNOJUSGMY-MRVPVSSYSA-N 2 2 292.299 0.210 10 5 CCBELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C[NH3+])C1 ZINC000124474687 616247270 /nfs/dbraw/zinc/24/72/70/616247270.db2.gz FSXOIDNOJUSGMY-MRVPVSSYSA-N 2 2 292.299 0.210 10 5 CCBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263193651 137060159 /nfs/dbraw/zinc/06/01/59/137060159.db2.gz IEZVEGHNDIAYKA-WCQYABFASA-N 2 2 295.339 0.663 10 5 CCBELP C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226627044 352030969 /nfs/dbraw/zinc/03/09/69/352030969.db2.gz KMSLRAMRXVPVCZ-QMMMGPOBSA-N 2 2 296.356 0.383 10 5 CCBELP C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226627044 352030971 /nfs/dbraw/zinc/03/09/71/352030971.db2.gz KMSLRAMRXVPVCZ-QMMMGPOBSA-N 2 2 296.356 0.383 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263276752 137062649 /nfs/dbraw/zinc/06/26/49/137062649.db2.gz SWTAHHODEHJXKF-BXKDBHETSA-N 2 2 285.731 0.918 10 5 CCBELP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000122785943 350068708 /nfs/dbraw/zinc/06/87/08/350068708.db2.gz JVOLTKPWMWUYCY-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP Cc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000122785943 350068710 /nfs/dbraw/zinc/06/87/10/350068710.db2.gz JVOLTKPWMWUYCY-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000262165018 137028971 /nfs/dbraw/zinc/02/89/71/137028971.db2.gz UDGZOCBIOCFOTA-BXKDBHETSA-N 2 2 269.276 0.404 10 5 CCBELP Cc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250884496 352508431 /nfs/dbraw/zinc/50/84/31/352508431.db2.gz ZLVBBGVNMTYBQC-GFCCVEGCSA-N 2 2 264.329 0.982 10 5 CCBELP Cc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250884496 352508435 /nfs/dbraw/zinc/50/84/35/352508435.db2.gz ZLVBBGVNMTYBQC-GFCCVEGCSA-N 2 2 264.329 0.982 10 5 CCBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263193654 137059981 /nfs/dbraw/zinc/05/99/81/137059981.db2.gz IEZVEGHNDIAYKA-YPMHNXCESA-N 2 2 295.339 0.663 10 5 CCBELP Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000121970697 350060750 /nfs/dbraw/zinc/06/07/50/350060750.db2.gz ATRCQDFPZANYPO-NSHDSACASA-N 2 2 264.329 0.982 10 5 CCBELP Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000121970697 350060753 /nfs/dbraw/zinc/06/07/53/350060753.db2.gz ATRCQDFPZANYPO-NSHDSACASA-N 2 2 264.329 0.982 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000262165023 137028682 /nfs/dbraw/zinc/02/86/82/137028682.db2.gz UDGZOCBIOCFOTA-SKDRFNHKSA-N 2 2 269.276 0.404 10 5 CCBELP [NH3+]CCc1[nH+]ccn1-c1nc2sccn2c1[N+](=O)[O-] ZINC000052304529 527198596 /nfs/dbraw/zinc/19/85/96/527198596.db2.gz USRWJJZEKHZLPY-UHFFFAOYSA-N 2 2 278.297 0.991 10 5 CCBELP C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226625184 352031108 /nfs/dbraw/zinc/03/11/08/352031108.db2.gz XAZXZWNRXPULEA-JTQLQIEISA-N 2 2 290.327 0.550 10 5 CCBELP C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226625184 352031110 /nfs/dbraw/zinc/03/11/10/352031110.db2.gz XAZXZWNRXPULEA-JTQLQIEISA-N 2 2 290.327 0.550 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000263238905 137061429 /nfs/dbraw/zinc/06/14/29/137061429.db2.gz OILLAGNWEMRNGG-SKDRFNHKSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263276755 137062485 /nfs/dbraw/zinc/06/24/85/137062485.db2.gz SWTAHHODEHJXKF-CABZTGNLSA-N 2 2 285.731 0.918 10 5 CCBELP C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124486990 350099610 /nfs/dbraw/zinc/09/96/10/350099610.db2.gz KMSLRAMRXVPVCZ-MRVPVSSYSA-N 2 2 296.356 0.383 10 5 CCBELP C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124486990 350099611 /nfs/dbraw/zinc/09/96/11/350099611.db2.gz KMSLRAMRXVPVCZ-MRVPVSSYSA-N 2 2 296.356 0.383 10 5 CCBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263281087 352592472 /nfs/dbraw/zinc/59/24/72/352592472.db2.gz UFXKGWOFATYFSZ-CMPLNLGQSA-N 2 2 251.286 0.265 10 5 CCBELP CC(C)Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040597423 174349148 /nfs/dbraw/zinc/34/91/48/174349148.db2.gz CGSDFLAZSIZGGA-UHFFFAOYSA-N 2 2 295.347 0.779 10 5 CCBELP C[N@H+]1C[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000193646450 351837887 /nfs/dbraw/zinc/83/78/87/351837887.db2.gz DREMHHZOBBOYGQ-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[N@@H+]1C[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000193646450 351837891 /nfs/dbraw/zinc/83/78/91/351837891.db2.gz DREMHHZOBBOYGQ-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[NH+]1C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000193646450 351837893 /nfs/dbraw/zinc/83/78/93/351837893.db2.gz DREMHHZOBBOYGQ-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[NH+]1C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000193646450 351837896 /nfs/dbraw/zinc/83/78/96/351837896.db2.gz DREMHHZOBBOYGQ-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263276756 137062521 /nfs/dbraw/zinc/06/25/21/137062521.db2.gz SWTAHHODEHJXKF-JOYOIKCWSA-N 2 2 285.731 0.918 10 5 CCBELP COc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000226621746 352030885 /nfs/dbraw/zinc/03/08/85/352030885.db2.gz JYQBNEGUSXAGJF-NSHDSACASA-N 2 2 280.328 0.683 10 5 CCBELP COc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000226621746 352030889 /nfs/dbraw/zinc/03/08/89/352030889.db2.gz JYQBNEGUSXAGJF-NSHDSACASA-N 2 2 280.328 0.683 10 5 CCBELP C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622060 352031003 /nfs/dbraw/zinc/03/10/03/352031003.db2.gz NESXICNOOGZQBK-JTQLQIEISA-N 2 2 250.302 0.674 10 5 CCBELP C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622060 352031005 /nfs/dbraw/zinc/03/10/05/352031005.db2.gz NESXICNOOGZQBK-JTQLQIEISA-N 2 2 250.302 0.674 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000263238902 137061539 /nfs/dbraw/zinc/06/15/39/137061539.db2.gz OILLAGNWEMRNGG-CABZTGNLSA-N 2 2 285.731 0.918 10 5 CCBELP CCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040596219 174348884 /nfs/dbraw/zinc/34/88/84/174348884.db2.gz YGSDGODCGCBBSX-UHFFFAOYSA-N 2 2 281.320 0.391 10 5 CCBELP Cc1nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250960302 352509086 /nfs/dbraw/zinc/50/90/86/352509086.db2.gz WZHAYFZOZJBRBG-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP Cc1nc(N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250960302 352509089 /nfs/dbraw/zinc/50/90/89/352509089.db2.gz WZHAYFZOZJBRBG-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP Cc1cnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000122829768 350069766 /nfs/dbraw/zinc/06/97/66/350069766.db2.gz QZAXZVLDCUDAFH-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP Cc1cnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000122829768 350069770 /nfs/dbraw/zinc/06/97/70/350069770.db2.gz QZAXZVLDCUDAFH-JTQLQIEISA-N 2 2 265.317 0.377 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263276757 137062499 /nfs/dbraw/zinc/06/24/99/137062499.db2.gz SWTAHHODEHJXKF-SKDRFNHKSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263237896 137061548 /nfs/dbraw/zinc/06/15/48/137061548.db2.gz OHDSYWQBHHPEBV-BXKDBHETSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000263275145 137062609 /nfs/dbraw/zinc/06/26/09/137062609.db2.gz SSGVXICEGIEYHF-DTWKUNHWSA-N 2 2 257.315 0.326 10 5 CCBELP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000263275144 137062596 /nfs/dbraw/zinc/06/25/96/137062596.db2.gz SSGVXICEGIEYHF-BDAKNGLRSA-N 2 2 257.315 0.326 10 5 CCBELP COc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124482179 350099478 /nfs/dbraw/zinc/09/94/78/350099478.db2.gz JYQBNEGUSXAGJF-LLVKDONJSA-N 2 2 280.328 0.683 10 5 CCBELP COc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124482179 350099483 /nfs/dbraw/zinc/09/94/83/350099483.db2.gz JYQBNEGUSXAGJF-LLVKDONJSA-N 2 2 280.328 0.683 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000262165020 137028959 /nfs/dbraw/zinc/02/89/59/137028959.db2.gz UDGZOCBIOCFOTA-CABZTGNLSA-N 2 2 269.276 0.404 10 5 CCBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263193649 137059921 /nfs/dbraw/zinc/05/99/21/137059921.db2.gz IEZVEGHNDIAYKA-DGCLKSJQSA-N 2 2 295.339 0.663 10 5 CCBELP Cc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000250961887 352508821 /nfs/dbraw/zinc/50/88/21/352508821.db2.gz JVOLTKPWMWUYCY-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP Cc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000250961887 352508823 /nfs/dbraw/zinc/50/88/23/352508823.db2.gz JVOLTKPWMWUYCY-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP COc1cc([N+](=O)[O-])ccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000006289129 170188850 /nfs/dbraw/zinc/18/88/50/170188850.db2.gz FKKOEQHKMFZJGC-UHFFFAOYSA-N 2 2 252.234 0.433 10 5 CCBELP CNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040595655 174348481 /nfs/dbraw/zinc/34/84/81/174348481.db2.gz OYPLSDUASKPGIF-UHFFFAOYSA-N 2 2 267.293 0.001 10 5 CCBELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000122788626 616247389 /nfs/dbraw/zinc/24/73/89/616247389.db2.gz ODDJWHLISJQSAL-GFCCVEGCSA-N 2 2 250.302 0.674 10 5 CCBELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000122788626 616247390 /nfs/dbraw/zinc/24/73/90/616247390.db2.gz ODDJWHLISJQSAL-GFCCVEGCSA-N 2 2 250.302 0.674 10 5 CCBELP Cc1cnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000251083565 352509600 /nfs/dbraw/zinc/50/96/00/352509600.db2.gz QZAXZVLDCUDAFH-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP Cc1cnc(N2CC[N@H+](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000251083565 352509604 /nfs/dbraw/zinc/50/96/04/352509604.db2.gz QZAXZVLDCUDAFH-SNVBAGLBSA-N 2 2 265.317 0.377 10 5 CCBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000263238903 137061390 /nfs/dbraw/zinc/06/13/90/137061390.db2.gz OILLAGNWEMRNGG-JOYOIKCWSA-N 2 2 285.731 0.918 10 5 CCBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263281090 352592675 /nfs/dbraw/zinc/59/26/75/352592675.db2.gz UFXKGWOFATYFSZ-ZYHUDNBSSA-N 2 2 251.286 0.265 10 5 CCBELP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000263275148 137062552 /nfs/dbraw/zinc/06/25/52/137062552.db2.gz SSGVXICEGIEYHF-RKDXNWHRSA-N 2 2 257.315 0.326 10 5 CCBELP C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000149458113 350478063 /nfs/dbraw/zinc/47/80/63/350478063.db2.gz QLDRXHPKEMLSMW-SECBINFHSA-N 2 2 285.735 0.722 10 5 CCBELP C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000149458113 350478067 /nfs/dbraw/zinc/47/80/67/350478067.db2.gz QLDRXHPKEMLSMW-SECBINFHSA-N 2 2 285.735 0.722 10 5 CCBELP C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C[NH3+])C1 ZINC000226626771 636993569 /nfs/dbraw/zinc/99/35/69/636993569.db2.gz FSXOIDNOJUSGMY-QMMMGPOBSA-N 2 2 292.299 0.210 10 5 CCBELP C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C[NH3+])C1 ZINC000226626771 636993575 /nfs/dbraw/zinc/99/35/75/636993575.db2.gz FSXOIDNOJUSGMY-QMMMGPOBSA-N 2 2 292.299 0.210 10 5 CCBELP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000122823679 350070294 /nfs/dbraw/zinc/07/02/94/350070294.db2.gz ZLVBBGVNMTYBQC-LBPRGKRZSA-N 2 2 264.329 0.982 10 5 CCBELP Cc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000122823679 350070298 /nfs/dbraw/zinc/07/02/98/350070298.db2.gz ZLVBBGVNMTYBQC-LBPRGKRZSA-N 2 2 264.329 0.982 10 5 CCBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263281088 352592286 /nfs/dbraw/zinc/59/22/86/352592286.db2.gz UFXKGWOFATYFSZ-JQWIXIFHSA-N 2 2 251.286 0.265 10 5 CCBELP C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000158239416 350656515 /nfs/dbraw/zinc/65/65/15/350656515.db2.gz NESXICNOOGZQBK-SNVBAGLBSA-N 2 2 250.302 0.674 10 5 CCBELP C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000158239416 350656517 /nfs/dbraw/zinc/65/65/17/350656517.db2.gz NESXICNOOGZQBK-SNVBAGLBSA-N 2 2 250.302 0.674 10 5 CCBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263237899 137061198 /nfs/dbraw/zinc/06/11/98/137061198.db2.gz OHDSYWQBHHPEBV-JOYOIKCWSA-N 2 2 285.731 0.918 10 5 CCBELP C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122798776 350070046 /nfs/dbraw/zinc/07/00/46/350070046.db2.gz OUKCQBXSTVBMAP-SNVBAGLBSA-N 2 2 268.292 0.813 10 5 CCBELP C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122798776 350070047 /nfs/dbraw/zinc/07/00/47/350070047.db2.gz OUKCQBXSTVBMAP-SNVBAGLBSA-N 2 2 268.292 0.813 10 5 CCBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263193647 137059886 /nfs/dbraw/zinc/05/98/86/137059886.db2.gz IEZVEGHNDIAYKA-AAEUAGOBSA-N 2 2 295.339 0.663 10 5 CCBELP C[N@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000193608191 351835141 /nfs/dbraw/zinc/83/51/41/351835141.db2.gz PATYPYPUMVUDAI-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[N@@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000193608191 351835142 /nfs/dbraw/zinc/83/51/42/351835142.db2.gz PATYPYPUMVUDAI-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[NH+]1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000193608191 351835143 /nfs/dbraw/zinc/83/51/43/351835143.db2.gz PATYPYPUMVUDAI-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP C[NH+]1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000193608191 351835145 /nfs/dbraw/zinc/83/51/45/351835145.db2.gz PATYPYPUMVUDAI-PHIMTYICSA-N 2 2 265.317 0.285 10 5 CCBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263281089 352592511 /nfs/dbraw/zinc/59/25/11/352592511.db2.gz UFXKGWOFATYFSZ-PWSUYJOCSA-N 2 2 251.286 0.265 10 5 CCBELP C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000227163133 352039491 /nfs/dbraw/zinc/03/94/91/352039491.db2.gz QLDRXHPKEMLSMW-VIFPVBQESA-N 2 2 285.735 0.722 10 5 CCBELP C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000227163133 352039494 /nfs/dbraw/zinc/03/94/94/352039494.db2.gz QLDRXHPKEMLSMW-VIFPVBQESA-N 2 2 285.735 0.722 10 5 CCBELP C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621305 352031551 /nfs/dbraw/zinc/03/15/51/352031551.db2.gz OUKCQBXSTVBMAP-JTQLQIEISA-N 2 2 268.292 0.813 10 5 CCBELP C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621305 352031554 /nfs/dbraw/zinc/03/15/54/352031554.db2.gz OUKCQBXSTVBMAP-JTQLQIEISA-N 2 2 268.292 0.813 10 5 CCBELP Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000251006754 285145324 /nfs/dbraw/zinc/14/53/24/285145324.db2.gz ATRCQDFPZANYPO-LLVKDONJSA-N 2 2 264.329 0.982 10 5 CCBELP Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000251006754 285145325 /nfs/dbraw/zinc/14/53/25/285145325.db2.gz ATRCQDFPZANYPO-LLVKDONJSA-N 2 2 264.329 0.982 10 5 CCBELP C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000124478291 350099429 /nfs/dbraw/zinc/09/94/29/350099429.db2.gz XAZXZWNRXPULEA-SNVBAGLBSA-N 2 2 290.327 0.550 10 5 CCBELP C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000124478291 350099434 /nfs/dbraw/zinc/09/94/34/350099434.db2.gz XAZXZWNRXPULEA-SNVBAGLBSA-N 2 2 290.327 0.550 10 5 CCBELP