smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncc([N+](=O)[O-])c(NCCOP(=O)([O-])[O-])n1 ZINC001168586956 820165335 /nfs/dbraw/zinc/16/53/35/820165335.db2.gz MTTBXEMYARGEMT-UHFFFAOYSA-N -2 0 294.160 -0.085 20 5 CBBDRL O=[N+]([O-])c1cnc(NCCOP(=O)([O-])[O-])cn1 ZINC001168591508 820166883 /nfs/dbraw/zinc/16/68/83/820166883.db2.gz AASVZMIEMLJVIC-UHFFFAOYSA-N -2 0 264.134 -0.094 20 5 CBBDRL O=C([O-])CC[C@@H](O)C(=O)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667942 825260686 /nfs/dbraw/zinc/26/06/86/825260686.db2.gz XCQBIQXQZDFGNW-ZCFIWIBFSA-N -2 0 286.196 -0.174 20 5 CBBDRL Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001231259242 825401433 /nfs/dbraw/zinc/40/14/33/825401433.db2.gz IFBYURDCJYFTIB-LURJTMIESA-N -2 0 286.196 -0.255 20 5 CBBDRL Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001231259246 825401479 /nfs/dbraw/zinc/40/14/79/825401479.db2.gz IFBYURDCJYFTIB-ZCFIWIBFSA-N -2 0 286.196 -0.255 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])n1 ZINC000600664747 355559833 /nfs/dbraw/zinc/55/98/33/355559833.db2.gz GXAHEMMUHMKWRG-UHFFFAOYSA-N -2 0 292.273 -0.530 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000392176292 420207904 /nfs/dbraw/zinc/20/79/04/420207904.db2.gz VJVWQJQHFPVNQC-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C/C=C/C(=O)[O-])n1 ZINC000863407071 583841087 /nfs/dbraw/zinc/84/10/87/583841087.db2.gz DQPUKXRTMYVDKL-NSCUHMNNSA-N -2 0 290.257 -0.753 20 5 CBBDRL Cc1nc(OC(=O)[C@@H](O)CC(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378138 825330667 /nfs/dbraw/zinc/33/06/67/825330667.db2.gz FXIFUQXBFADSDG-BYPYZUCNSA-N -2 0 287.184 -0.860 20 5 CBBDRL CC(C)c1n[nH]c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000816731224 582481787 /nfs/dbraw/zinc/48/17/87/582481787.db2.gz GYCSWKSUDPKCFL-UHFFFAOYSA-N -2 0 297.231 -0.172 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000447633660 354301116 /nfs/dbraw/zinc/30/11/16/354301116.db2.gz DHKKYACERIXAAE-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL COc1ccc([N+](=O)[O-])c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000820282630 582562008 /nfs/dbraw/zinc/56/20/08/582562008.db2.gz PMZTTXQKVFHEKW-UHFFFAOYSA-N -2 0 295.211 -0.010 20 5 CBBDRL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000820289570 582562909 /nfs/dbraw/zinc/56/29/09/582562909.db2.gz YFHKSHKFZRZSMI-UHFFFAOYSA-N -2 0 280.200 -0.436 20 5 CBBDRL Cn1cc(NCCOP(=O)([O-])[O-])cc([N+](=O)[O-])c1=O ZINC001168590906 820166275 /nfs/dbraw/zinc/16/62/75/820166275.db2.gz AYYOOCCYBZFUGO-UHFFFAOYSA-N -2 0 293.172 -0.185 20 5 CBBDRL C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600653051 355559815 /nfs/dbraw/zinc/55/98/15/355559815.db2.gz ZANITNMNZXNJQS-BYPYZUCNSA-N -2 0 278.246 -0.920 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(=O)[O-])n1 ZINC000600651724 355559947 /nfs/dbraw/zinc/55/99/47/355559947.db2.gz IERXBSWLOISFBJ-UHFFFAOYSA-N -2 0 278.246 -0.919 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])n1 ZINC000600665540 355560166 /nfs/dbraw/zinc/56/01/66/355560166.db2.gz UYDHHZBSYAGYDP-SCSAIBSYSA-N -2 0 296.236 -0.971 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(=O)[O-])n1 ZINC000600652552 355560216 /nfs/dbraw/zinc/56/02/16/355560216.db2.gz WJPAXONRVIAAAT-UHFFFAOYSA-N -2 0 292.273 -0.529 20 5 CBBDRL C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600652197 355559828 /nfs/dbraw/zinc/55/98/28/355559828.db2.gz NYUVDOPAGQYTGT-YFKPBYRVSA-N -2 0 292.273 -0.673 20 5 CBBDRL O=C(NCc1nnn[n-]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000613950740 355924308 /nfs/dbraw/zinc/92/43/08/355924308.db2.gz LLSKYGZTVHTSJP-UHFFFAOYSA-N -2 0 264.201 -0.257 20 5 CBBDRL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000820291665 582562998 /nfs/dbraw/zinc/56/29/98/582562998.db2.gz JKCOQKIFPGKLGP-UHFFFAOYSA-N -2 0 281.184 -0.313 20 5 CBBDRL CO[N-]C(=O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001179623632 820636787 /nfs/dbraw/zinc/63/67/87/820636787.db2.gz REGDXOCWTKONKE-UHFFFAOYSA-N -2 0 269.213 -0.292 20 5 CBBDRL O=C([O-])C[C@H](O)C(=O)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969825 825327154 /nfs/dbraw/zinc/32/71/54/825327154.db2.gz CZEKYHXLHLOYQK-LURJTMIESA-N -2 0 287.180 -0.253 20 5 CBBDRL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600650724 355559961 /nfs/dbraw/zinc/55/99/61/355559961.db2.gz APBNMSKOBSYBNX-RXMQYKEDSA-N -2 0 292.273 -0.530 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000392163959 420206632 /nfs/dbraw/zinc/20/66/32/420206632.db2.gz HDBJLWDXFVTZIX-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL CN1C(=O)CN([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1=O ZINC000802976029 582427161 /nfs/dbraw/zinc/42/71/61/582427161.db2.gz UWOSZSOEZOQXEO-UHFFFAOYSA-N -2 0 294.223 -0.161 20 5 CBBDRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc([N+](=O)[O-])o1 ZINC000820288660 582562618 /nfs/dbraw/zinc/56/26/18/582562618.db2.gz NLYYJBZJEJKXEI-UHFFFAOYSA-N -2 0 255.146 -0.426 20 5 CBBDRL O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2nnn[n-]2)c1 ZINC000833306902 583062924 /nfs/dbraw/zinc/06/29/24/583062924.db2.gz GBSIPOZLJREGMK-UHFFFAOYSA-N -2 0 266.173 -0.984 20 5 CBBDRL CCc1n[nH]c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000854610405 583610585 /nfs/dbraw/zinc/61/05/85/583610585.db2.gz HHDYFYMDNXITFA-UHFFFAOYSA-N -2 0 283.204 -0.733 20 5 CBBDRL O=C([O-])c1cc(C(=O)NCc2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000738672402 600167093 /nfs/dbraw/zinc/16/70/93/600167093.db2.gz FQJQMIBPWATGPC-UHFFFAOYSA-N -2 0 292.211 -0.264 20 5 CBBDRL O=C([O-])C[C@@H](O)C(=O)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969828 825327235 /nfs/dbraw/zinc/32/72/35/825327235.db2.gz CZEKYHXLHLOYQK-ZCFIWIBFSA-N -2 0 287.180 -0.253 20 5 CBBDRL CO[N-]C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001558636839 924188610 /nfs/dbraw/zinc/18/86/10/924188610.db2.gz BWTFMGZLIQMATH-UHFFFAOYSA-N -2 0 269.213 -0.292 20 5 CBBDRL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600650725 355559786 /nfs/dbraw/zinc/55/97/86/355559786.db2.gz APBNMSKOBSYBNX-YFKPBYRVSA-N -2 0 292.273 -0.530 20 5 CBBDRL O=[N+]([O-])c1cc[n+]([O-])cc1NCCOP(=O)([O-])[O-] ZINC001168591295 820166479 /nfs/dbraw/zinc/16/64/79/820166479.db2.gz NRUFKJHEDPDDTM-UHFFFAOYSA-N -2 0 279.145 -0.251 20 5 CBBDRL O=C([O-])C[C@@H](O)C(=O)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667450 825260448 /nfs/dbraw/zinc/26/04/48/825260448.db2.gz SWJNKVVOFLXQPT-RXMQYKEDSA-N -2 0 272.169 -0.564 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000447637703 354300741 /nfs/dbraw/zinc/30/07/41/354300741.db2.gz WGTAOYQIBVPINO-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000447634541 354301018 /nfs/dbraw/zinc/30/10/18/354301018.db2.gz RJIIFLKZXCKDNA-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600650751 355559853 /nfs/dbraw/zinc/55/98/53/355559853.db2.gz BAYPNTJNEAXTLX-RXMQYKEDSA-N -2 0 292.273 -0.530 20 5 CBBDRL C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600653052 355559983 /nfs/dbraw/zinc/55/99/83/355559983.db2.gz ZANITNMNZXNJQS-SCSAIBSYSA-N -2 0 278.246 -0.920 20 5 CBBDRL CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600650752 355560184 /nfs/dbraw/zinc/56/01/84/355560184.db2.gz BAYPNTJNEAXTLX-YFKPBYRVSA-N -2 0 292.273 -0.530 20 5 CBBDRL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000816731595 582481885 /nfs/dbraw/zinc/48/18/85/582481885.db2.gz XSKBNEOUQJVBBO-UHFFFAOYSA-N -2 0 281.184 -0.313 20 5 CBBDRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC000816732562 582482164 /nfs/dbraw/zinc/48/21/64/582482164.db2.gz MVQQMKHXBQUCQJ-UHFFFAOYSA-N -2 0 265.185 -0.019 20 5 CBBDRL Cc1n[nH]c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000816732924 582482449 /nfs/dbraw/zinc/48/24/49/582482449.db2.gz BUZZKFNFVYOAIT-UHFFFAOYSA-N -2 0 269.177 -0.987 20 5 CBBDRL CCn1cc([N+](=O)[O-])c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)n1 ZINC000854610268 583610518 /nfs/dbraw/zinc/61/05/18/583610518.db2.gz BADZXVULBMDUND-UHFFFAOYSA-N -2 0 283.204 -0.802 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C/C=C\C(=O)[O-])n1 ZINC000863407070 583841060 /nfs/dbraw/zinc/84/10/60/583841060.db2.gz DQPUKXRTMYVDKL-IHWYPQMZSA-N -2 0 290.257 -0.753 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])n1 ZINC000863410327 583841513 /nfs/dbraw/zinc/84/15/13/583841513.db2.gz ZVLVILVZYBWZLL-SCSAIBSYSA-N -2 0 296.236 -0.971 20 5 CBBDRL O=C([O-])C[C@H](O)C(=O)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667451 825260709 /nfs/dbraw/zinc/26/07/09/825260709.db2.gz SWJNKVVOFLXQPT-YFKPBYRVSA-N -2 0 272.169 -0.564 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000447635950 354301225 /nfs/dbraw/zinc/30/12/25/354301225.db2.gz FHHFYGXZGGIRTK-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL O=C(NCc1nnn[n-]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612544489 355839023 /nfs/dbraw/zinc/83/90/23/355839023.db2.gz METQEUGGRXVPRG-UHFFFAOYSA-N -2 0 264.201 -0.257 20 5 CBBDRL O=C([N-]N1CN=NC1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000776185207 582354048 /nfs/dbraw/zinc/35/40/48/582354048.db2.gz PWJMJSVOTXBSEM-UHFFFAOYSA-N -2 0 265.185 -0.019 20 5 CBBDRL O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000816733552 582482556 /nfs/dbraw/zinc/48/25/56/582482556.db2.gz BSURIGMSWXYTIX-UHFFFAOYSA-N -2 0 281.184 -0.313 20 5 CBBDRL Cn1[n-]nnc1=Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671831 820456324 /nfs/dbraw/zinc/45/63/24/820456324.db2.gz FJYANBXHWRXVFT-UHFFFAOYSA-N -2 0 264.201 -0.018 20 5 CBBDRL O=C(NCc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534913 355804822 /nfs/dbraw/zinc/80/48/22/355804822.db2.gz ZLSAIIGCBBFLQV-UHFFFAOYSA-N -2 0 264.201 -0.257 20 5 CBBDRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000816731054 582481803 /nfs/dbraw/zinc/48/18/03/582481803.db2.gz ZIKVFXQAQOKFRU-UHFFFAOYSA-N -3 0 281.184 -0.313 20 5 CBBDRL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000816731808 582481876 /nfs/dbraw/zinc/48/18/76/582481876.db2.gz GEQLHYIEUJBYEJ-UHFFFAOYSA-N -2 0 281.184 -0.313 20 5 CBBDRL O=[N+]([O-])c1cnc(NCCOP(=O)([O-])[O-])nc1 ZINC001168587877 820165211 /nfs/dbraw/zinc/16/52/11/820165211.db2.gz ZDPKFVMTEKALMJ-UHFFFAOYSA-N -2 0 264.134 -0.094 20 5 CBBDRL C[C@@](O)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262691096 352430403 /nfs/dbraw/zinc/43/04/03/352430403.db2.gz CIORPPUSOXOIPW-LLVKDONJSA-N -2 0 284.224 -0.134 20 5 CBBDRL C[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600652196 355559906 /nfs/dbraw/zinc/55/99/06/355559906.db2.gz NYUVDOPAGQYTGT-RXMQYKEDSA-N -2 0 292.273 -0.673 20 5 CBBDRL O=C(NCc1nnn[n-]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613950788 355924484 /nfs/dbraw/zinc/92/44/84/355924484.db2.gz XEFKQFBVNCQYMI-UHFFFAOYSA-N -2 0 264.201 -0.257 20 5 CBBDRL O=C([O-])CC[C@@H](O)C(=O)Oc1[n-]c(=O)ncc1[N+](=O)[O-] ZINC001226331228 825275916 /nfs/dbraw/zinc/27/59/16/825275916.db2.gz JBPNIBQHQQBDEQ-RXMQYKEDSA-N -2 0 287.184 -0.779 20 5 CBBDRL Cc1nc(OC(=O)[C@H](O)CC(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378153 825331861 /nfs/dbraw/zinc/33/18/61/825331861.db2.gz FXIFUQXBFADSDG-SCSAIBSYSA-N -2 0 287.184 -0.860 20 5 CBBDRL CN1C(=O)CN(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC000780698368 582364494 /nfs/dbraw/zinc/36/44/94/582364494.db2.gz ZODOFJKKQXKTAG-UHFFFAOYSA-N -2 0 294.223 -0.161 20 5 CBBDRL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000156055687 207385572 /nfs/dbraw/zinc/38/55/72/207385572.db2.gz HUZNBHKAMXZGQU-UHFFFAOYSA-N -2 0 279.212 -0.358 20 5 CBBDRL O=[N+]([O-])c1nccnc1NCCOP(=O)([O-])[O-] ZINC001168586990 820165259 /nfs/dbraw/zinc/16/52/59/820165259.db2.gz NIKZJWRTNMLFTD-UHFFFAOYSA-N -2 0 264.134 -0.094 20 5 CBBDRL O=C(NCCc1nc(=O)o[n-]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355495135 248182869 /nfs/dbraw/zinc/18/28/69/248182869.db2.gz AATLITOCXHSYGQ-UHFFFAOYSA-N -2 0 294.223 -0.051 20 5 CBBDRL O=C([O-])[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000833767960 583082847 /nfs/dbraw/zinc/08/28/47/583082847.db2.gz VRPYGUGNYQUAOI-ZETCQYMHSA-N -2 0 270.197 -0.524 20 5 CBBDRL O=C([O-])[C@H](O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849220299 583474537 /nfs/dbraw/zinc/47/45/37/583474537.db2.gz CLFUWXVEHOCHMO-RXMQYKEDSA-N -2 0 296.282 -0.620 20 5 CBBDRL COc1nc(NCCOP(=O)([O-])[O-])ncc1[N+](=O)[O-] ZINC001157787989 815467373 /nfs/dbraw/zinc/46/73/73/815467373.db2.gz UODOEOMFVIHUNL-UHFFFAOYSA-N -2 0 294.160 -0.085 20 5 CBBDRL O=[N+]([O-])c1cc[n+]([O-])c(NCCOP(=O)([O-])[O-])c1 ZINC001157787232 815467607 /nfs/dbraw/zinc/46/76/07/815467607.db2.gz BCLKZVADVRKTJA-UHFFFAOYSA-N -2 0 279.145 -0.251 20 5 CBBDRL C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000262315052 352415397 /nfs/dbraw/zinc/41/53/97/352415397.db2.gz UGAAZIWALMYGBJ-LLVKDONJSA-N -2 0 284.224 -0.134 20 5 CBBDRL C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000262315053 352415826 /nfs/dbraw/zinc/41/58/26/352415826.db2.gz UGAAZIWALMYGBJ-NSHDSACASA-N -2 0 284.224 -0.134 20 5 CBBDRL C[C@](O)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262691097 352431286 /nfs/dbraw/zinc/43/12/86/352431286.db2.gz CIORPPUSOXOIPW-NSHDSACASA-N -2 0 284.224 -0.134 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])n1 ZINC000600665538 355559928 /nfs/dbraw/zinc/55/99/28/355559928.db2.gz UYDHHZBSYAGYDP-BYPYZUCNSA-N -2 0 296.236 -0.971 20 5 CBBDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)n1 ZINC000600654110 355560178 /nfs/dbraw/zinc/56/01/78/355560178.db2.gz SUTYGIIJYHEONM-UHFFFAOYSA-N -2 0 290.257 -0.776 20 5 CBBDRL O=C([N-]N1CC(=O)NC1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000795284015 582408447 /nfs/dbraw/zinc/40/84/47/582408447.db2.gz NHGRJDTWNSCLNB-UHFFFAOYSA-N -2 0 280.196 -0.503 20 5 CBBDRL CCCc1n[nH]c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000816732422 582482186 /nfs/dbraw/zinc/48/21/86/582482186.db2.gz GDZPPVQVIKOWRS-UHFFFAOYSA-N -2 0 297.231 -0.343 20 5 CBBDRL