smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310778 345112010 /nfs/dbraw/zinc/11/20/10/345112010.db2.gz UKUAHCSQMARNBR-SECBINFHSA-N 1 1 238.291 1.560 10 5 BDBEMO C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310778 345112015 /nfs/dbraw/zinc/11/20/15/345112015.db2.gz UKUAHCSQMARNBR-SECBINFHSA-N 1 1 238.291 1.560 10 5 BDBEMO Cc1c(C[NH2+]C2COC2)cccc1[N+](=O)[O-] ZINC000087195326 135111447 /nfs/dbraw/zinc/11/14/47/135111447.db2.gz GDRCYFXPXYMNLM-UHFFFAOYSA-N 1 1 222.244 1.392 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297562 173125319 /nfs/dbraw/zinc/12/53/19/173125319.db2.gz UVSVTOPMBMJZLB-SECBINFHSA-N 1 1 222.248 1.106 10 5 BDBEMO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000400441833 533924281 /nfs/dbraw/zinc/92/42/81/533924281.db2.gz MRIVAKINVLYUPO-JQWIXIFHSA-N 1 1 249.314 1.682 10 5 BDBEMO CC[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000389320019 344441721 /nfs/dbraw/zinc/44/17/21/344441721.db2.gz GHVPGPCNKXKAGI-SECBINFHSA-N 1 1 236.275 1.496 10 5 BDBEMO COC(=O)c1ccc(C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000142167248 345862550 /nfs/dbraw/zinc/86/25/50/345862550.db2.gz LOXFHIUOMRKKTM-UHFFFAOYSA-N 1 1 238.243 1.443 10 5 BDBEMO C[C@@]1(O)CC[NH2+][C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000584608811 358269261 /nfs/dbraw/zinc/26/92/61/358269261.db2.gz OLMYXSWHSNCQGV-SDDRHHMPSA-N 1 1 236.271 1.117 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053580395 173125613 /nfs/dbraw/zinc/12/56/13/173125613.db2.gz PMZBGNZYYJUFRO-SECBINFHSA-N 1 1 239.250 1.850 10 5 BDBEMO Cc1[nH+]ccn1-c1ccc(CO)cc1[N+](=O)[O-] ZINC000020468316 187254254 /nfs/dbraw/zinc/25/42/54/187254254.db2.gz QEKWCDDKYFPHQR-UHFFFAOYSA-N 1 1 233.227 1.581 10 5 BDBEMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408309002 344478169 /nfs/dbraw/zinc/47/81/69/344478169.db2.gz KQOPCZPCZUSHAF-MRVPVSSYSA-N 1 1 224.264 1.170 10 5 BDBEMO C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310780 345112247 /nfs/dbraw/zinc/11/22/47/345112247.db2.gz UKUAHCSQMARNBR-VIFPVBQESA-N 1 1 238.291 1.560 10 5 BDBEMO C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310780 345112249 /nfs/dbraw/zinc/11/22/49/345112249.db2.gz UKUAHCSQMARNBR-VIFPVBQESA-N 1 1 238.291 1.560 10 5 BDBEMO CC(C)CN1c2ccc([N+](=O)[O-])cc2[C@@H]([NH3+])C1=O ZINC000019795677 352755282 /nfs/dbraw/zinc/75/52/82/352755282.db2.gz FBTJFZXPNORZMC-LLVKDONJSA-N 1 1 249.270 1.597 10 5 BDBEMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])o2)n1 ZINC000051860757 170131383 /nfs/dbraw/zinc/13/13/83/170131383.db2.gz MXPSCELTBZDXHU-UHFFFAOYSA-N 1 1 238.203 1.347 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000042291705 173126619 /nfs/dbraw/zinc/12/66/19/173126619.db2.gz OFABCYDVPQCBFY-SECBINFHSA-N 1 1 221.260 1.711 10 5 BDBEMO C[NH2+]Cc1c[nH]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000062820898 173385312 /nfs/dbraw/zinc/38/53/12/173385312.db2.gz ZHFPVQOWWKBPNK-UHFFFAOYSA-N 1 1 232.243 1.704 10 5 BDBEMO Cc1ccc(-c2nnc(C[NH3+])o2)cc1[N+](=O)[O-] ZINC000050283421 178340425 /nfs/dbraw/zinc/34/04/25/178340425.db2.gz FLMCURLGXRCBQP-UHFFFAOYSA-N 1 1 234.215 1.412 10 5 BDBEMO Cc1nn(-c2cc[nH+]cc2)c(N)c1[N+](=O)[O-] ZINC000049853249 180331379 /nfs/dbraw/zinc/33/13/79/180331379.db2.gz UKLOOBMIXYZYLH-UHFFFAOYSA-N 1 1 219.204 1.066 10 5 BDBEMO NC[C@@H]([NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072200903 384814623 /nfs/dbraw/zinc/81/46/23/384814623.db2.gz XDNPGEIZDGFBCP-SSDOTTSWSA-N 1 1 215.640 1.207 10 5 BDBEMO CC[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000336889496 170011845 /nfs/dbraw/zinc/01/18/45/170011845.db2.gz GFLCSXFIPYVWLE-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000336889496 170011847 /nfs/dbraw/zinc/01/18/47/170011847.db2.gz GFLCSXFIPYVWLE-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2cccc([N+](=O)[O-])c2)C1 ZINC000042548063 173156683 /nfs/dbraw/zinc/15/66/83/173156683.db2.gz INJLTDFBQIKDJK-JTQLQIEISA-N 1 1 221.260 1.711 10 5 BDBEMO COC(=O)C[C@@H]([NH3+])c1ccc([N+](=O)[O-])s1 ZINC000095638238 644762363 /nfs/dbraw/zinc/76/23/63/644762363.db2.gz UYYFLECOTVVDPU-RXMQYKEDSA-N 1 1 230.245 1.219 10 5 BDBEMO [NH3+]CC(=O)c1cc(F)cc([N+](=O)[O-])c1F ZINC000223010348 344300087 /nfs/dbraw/zinc/30/00/87/344300087.db2.gz SWNCLGICJVJUGO-UHFFFAOYSA-N 1 1 216.143 1.014 10 5 BDBEMO C[C@]1(O)CC[NH2+][C@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000584608098 358268653 /nfs/dbraw/zinc/26/86/53/358268653.db2.gz OLMYXSWHSNCQGV-UTUOFQBUSA-N 1 1 236.271 1.117 10 5 BDBEMO O=[N+]([O-])C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000082048861 388723510 /nfs/dbraw/zinc/72/35/10/388723510.db2.gz GJYNUKYVXIQGQH-FOSCPWQOSA-N 1 1 218.256 1.394 10 5 BDBEMO Cc1ccc(-c2nnc([C@H](C)[NH3+])o2)cc1[N+](=O)[O-] ZINC000050284159 178341504 /nfs/dbraw/zinc/34/15/04/178341504.db2.gz WLHSLXQSYDZMKV-ZETCQYMHSA-N 1 1 248.242 1.973 10 5 BDBEMO C[N@@H+]1CCc2ccccc2[C@H]1C[N+](=O)[O-] ZINC000198044826 348605863 /nfs/dbraw/zinc/60/58/63/348605863.db2.gz WWALMKXBBFEROQ-LLVKDONJSA-N 1 1 206.245 1.492 10 5 BDBEMO C[N@H+]1CCc2ccccc2[C@H]1C[N+](=O)[O-] ZINC000198044826 348605864 /nfs/dbraw/zinc/60/58/64/348605864.db2.gz WWALMKXBBFEROQ-LLVKDONJSA-N 1 1 206.245 1.492 10 5 BDBEMO [NH3+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000050283518 181504128 /nfs/dbraw/zinc/50/41/28/181504128.db2.gz TXCYEPYLSQQVND-UHFFFAOYSA-N 1 1 238.178 1.243 10 5 BDBEMO O=[N+]([O-])c1ccccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000029587312 132295096 /nfs/dbraw/zinc/29/50/96/132295096.db2.gz FCMREGFXHJOCSD-LLVKDONJSA-N 1 1 247.298 1.879 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000042548148 173154075 /nfs/dbraw/zinc/15/40/75/173154075.db2.gz LAAOXYYKEXAUOD-VIFPVBQESA-N 1 1 239.250 1.850 10 5 BDBEMO C[N+](C)(N)Cc1cc(Cl)cc2c1OCOC2 ZINC000005211910 384106013 /nfs/dbraw/zinc/10/60/13/384106013.db2.gz WFOSVHFIEMPKJW-UHFFFAOYSA-N 1 1 243.714 1.657 10 5 BDBEMO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(CC2CC2)C1=O ZINC000019795679 371190070 /nfs/dbraw/zinc/19/00/70/371190070.db2.gz HWIFNKNANOOPEC-LLVKDONJSA-N 1 1 247.254 1.351 10 5 BDBEMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408348122 386166804 /nfs/dbraw/zinc/16/68/04/386166804.db2.gz ZCZTWFAOBRZSSA-DTWKUNHWSA-N 1 1 238.291 1.559 10 5 BDBEMO COC(C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000037389050 173962707 /nfs/dbraw/zinc/96/27/07/173962707.db2.gz NYAGFEMVAJKWSJ-UHFFFAOYSA-N 1 1 240.259 1.303 10 5 BDBEMO [NH3+]CC(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000095774101 181358321 /nfs/dbraw/zinc/35/83/21/181358321.db2.gz NSCCSIBPICUKRZ-UHFFFAOYSA-N 1 1 202.160 1.645 10 5 BDBEMO C[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655378 173116054 /nfs/dbraw/zinc/11/60/54/173116054.db2.gz RUYMVAGRKYXMDH-LBPRGKRZSA-N 1 1 249.314 1.636 10 5 BDBEMO C[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655378 173116056 /nfs/dbraw/zinc/11/60/56/173116056.db2.gz RUYMVAGRKYXMDH-LBPRGKRZSA-N 1 1 249.314 1.636 10 5 BDBEMO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000400441831 533924760 /nfs/dbraw/zinc/92/47/60/533924760.db2.gz MRIVAKINVLYUPO-CMPLNLGQSA-N 1 1 249.314 1.682 10 5 BDBEMO O=[N+]([O-])c1cccc(C[C@@H]2[NH2+]C[C@@H]2F)c1 ZINC000584591672 358110956 /nfs/dbraw/zinc/11/09/56/358110956.db2.gz DGMVBIIZXGTFID-UWVGGRQHSA-N 1 1 210.208 1.447 10 5 BDBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[N+](=O)[O-] ZINC000096793174 371515973 /nfs/dbraw/zinc/51/59/73/371515973.db2.gz VXDNYUQZWNPLGT-ZYHUDNBSSA-N 1 1 220.272 1.784 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000042548151 173125774 /nfs/dbraw/zinc/12/57/74/173125774.db2.gz LAAOXYYKEXAUOD-SECBINFHSA-N 1 1 239.250 1.850 10 5 BDBEMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000389305776 344409632 /nfs/dbraw/zinc/40/96/32/344409632.db2.gz LUJQUEHAWRGFGZ-ZETCQYMHSA-N 1 1 242.304 1.557 10 5 BDBEMO [NH3+]CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000061844173 181387724 /nfs/dbraw/zinc/38/77/24/181387724.db2.gz QLXUSUCKVUFTBE-UHFFFAOYSA-N 1 1 247.258 1.271 10 5 BDBEMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000067448420 372784698 /nfs/dbraw/zinc/78/46/98/372784698.db2.gz ZNHWZGPBDFKEOA-VIFPVBQESA-N 1 1 236.275 1.130 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccc(O)cc2[N+](=O)[O-])C1 ZINC000061988839 173126204 /nfs/dbraw/zinc/12/62/04/173126204.db2.gz RQLZWVJULCVHPN-MRVPVSSYSA-N 1 1 237.259 1.416 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053580393 173154934 /nfs/dbraw/zinc/15/49/34/173154934.db2.gz PMZBGNZYYJUFRO-VIFPVBQESA-N 1 1 239.250 1.850 10 5 BDBEMO O=[N+]([O-])c1ccccc1[C@@H]1[NH2+]CCS1 ZINC000050522770 259369930 /nfs/dbraw/zinc/36/99/30/259369930.db2.gz AWFBYJJTXNGJMS-SECBINFHSA-N 1 1 210.258 1.930 10 5 BDBEMO C[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408306879 344478802 /nfs/dbraw/zinc/47/88/02/344478802.db2.gz FIADJZCGQNUYNV-VIFPVBQESA-N 1 1 238.291 1.703 10 5 BDBEMO C[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408306879 344478803 /nfs/dbraw/zinc/47/88/03/344478803.db2.gz FIADJZCGQNUYNV-VIFPVBQESA-N 1 1 238.291 1.703 10 5 BDBEMO Cc1ccc([C@@H](C)[NH2+]C2COC2)cc1[N+](=O)[O-] ZINC000094710012 178838816 /nfs/dbraw/zinc/83/88/16/178838816.db2.gz UBQUDXWNURZAAT-SECBINFHSA-N 1 1 236.271 1.953 10 5 BDBEMO C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000146790589 345714649 /nfs/dbraw/zinc/71/46/49/345714649.db2.gz XHDRLJKKFWUIPJ-UHFFFAOYSA-N 1 1 239.250 1.486 10 5 BDBEMO O=[N+]([O-])c1ccccc1C[C@@H]1[NH2+]C[C@@H]1F ZINC000584591818 358250372 /nfs/dbraw/zinc/25/03/72/358250372.db2.gz OMIDSGIYRHTSAP-IUCAKERBSA-N 1 1 210.208 1.447 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000042375232 173126452 /nfs/dbraw/zinc/12/64/52/173126452.db2.gz OECQNVCRZMKGKO-SNVBAGLBSA-N 1 1 221.260 1.711 10 5 BDBEMO C[C@@]1(O)CC[NH2+][C@@H](c2cccs2)[C@@H]1[N+](=O)[O-] ZINC000584608747 358269191 /nfs/dbraw/zinc/26/91/91/358269191.db2.gz XFRVMFVCNYXMNF-LPEHRKFASA-N 1 1 242.300 1.179 10 5 BDBEMO O=[N+]([O-])c1ccc(C2=NCC[NH+]=CC2)cc1 ZINC000072416582 384117173 /nfs/dbraw/zinc/11/71/73/384117173.db2.gz ZIDDTVYIUQHYGX-UHFFFAOYSA-N 1 1 217.228 1.501 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000408291722 344464487 /nfs/dbraw/zinc/46/44/87/344464487.db2.gz PVTXTUJSTNTQNI-DTWKUNHWSA-N 1 1 236.275 1.313 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000408291722 344464488 /nfs/dbraw/zinc/46/44/88/344464488.db2.gz PVTXTUJSTNTQNI-DTWKUNHWSA-N 1 1 236.275 1.313 10 5 BDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091480847 345594056 /nfs/dbraw/zinc/59/40/56/345594056.db2.gz BDXDKRCBQGNORU-LLVKDONJSA-N 1 1 249.314 1.983 10 5 BDBEMO Cc1ccc([C@H](C)[NH2+]C2COC2)cc1[N+](=O)[O-] ZINC000094710013 178887984 /nfs/dbraw/zinc/88/79/84/178887984.db2.gz UBQUDXWNURZAAT-VIFPVBQESA-N 1 1 236.271 1.953 10 5 BDBEMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408348120 386166786 /nfs/dbraw/zinc/16/67/86/386166786.db2.gz ZCZTWFAOBRZSSA-BDAKNGLRSA-N 1 1 238.291 1.559 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297560 173155079 /nfs/dbraw/zinc/15/50/79/173155079.db2.gz UVSVTOPMBMJZLB-VIFPVBQESA-N 1 1 222.248 1.106 10 5 BDBEMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408309003 344478225 /nfs/dbraw/zinc/47/82/25/344478225.db2.gz KQOPCZPCZUSHAF-QMMMGPOBSA-N 1 1 224.264 1.170 10 5 BDBEMO [NH3+]CC(F)(F)CNc1cccc(F)c1[N+](=O)[O-] ZINC000162658550 181356952 /nfs/dbraw/zinc/35/69/52/181356952.db2.gz ZNZGKDPBDVKCPO-UHFFFAOYSA-N 1 1 249.192 1.740 10 5 BDBEMO [NH3+][C@H]1c2cc([N+](=O)[O-])ccc2N(CC2CC2)C1=O ZINC000100236513 384626184 /nfs/dbraw/zinc/62/61/84/384626184.db2.gz HWIFNKNANOOPEC-NSHDSACASA-N 1 1 247.254 1.351 10 5 BDBEMO C[N@H+]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655379 173146863 /nfs/dbraw/zinc/14/68/63/173146863.db2.gz IREDZSGKNZXDKM-LLVKDONJSA-N 1 1 249.314 1.636 10 5 BDBEMO C[N@@H+]1CCc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000198044821 348605968 /nfs/dbraw/zinc/60/59/68/348605968.db2.gz WWALMKXBBFEROQ-NSHDSACASA-N 1 1 206.245 1.492 10 5 BDBEMO C[N@H+]1CCc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000198044821 348605972 /nfs/dbraw/zinc/60/59/72/348605972.db2.gz WWALMKXBBFEROQ-NSHDSACASA-N 1 1 206.245 1.492 10 5 BDBEMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000147122354 368350949 /nfs/dbraw/zinc/35/09/49/368350949.db2.gz NRZLWURJDLIZMX-UHFFFAOYSA-N 1 1 237.259 1.052 10 5 BDBEMO C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408309744 386009063 /nfs/dbraw/zinc/00/90/63/386009063.db2.gz OGVQTOPOKBZOGR-QMMMGPOBSA-N 1 1 224.264 1.313 10 5 BDBEMO C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408309744 386009071 /nfs/dbraw/zinc/00/90/71/386009071.db2.gz OGVQTOPOKBZOGR-QMMMGPOBSA-N 1 1 224.264 1.313 10 5 BDBEMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000408348125 386167065 /nfs/dbraw/zinc/16/70/65/386167065.db2.gz ZCZTWFAOBRZSSA-RKDXNWHRSA-N 1 1 238.291 1.559 10 5 BDBEMO [NH3+]CC(F)(F)c1cccc([N+](=O)[O-])c1 ZINC000137039033 397933542 /nfs/dbraw/zinc/93/35/42/397933542.db2.gz HBOSPZDJOCQBFY-UHFFFAOYSA-N 1 1 202.160 1.645 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC(C)(C)C1 ZINC000408310375 345112974 /nfs/dbraw/zinc/11/29/74/345112974.db2.gz RRWUJENLTPOHKJ-UHFFFAOYSA-N 1 1 238.291 1.560 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC(C)(C)C1 ZINC000408310375 345112977 /nfs/dbraw/zinc/11/29/77/345112977.db2.gz RRWUJENLTPOHKJ-UHFFFAOYSA-N 1 1 238.291 1.560 10 5 BDBEMO C[NH2+]Cc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000051848568 173398826 /nfs/dbraw/zinc/39/88/26/173398826.db2.gz QTDBFJSEQDZUSQ-UHFFFAOYSA-N 1 1 248.242 1.673 10 5 BDBEMO C[NH2+]Cc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000051848570 173399377 /nfs/dbraw/zinc/39/93/77/173399377.db2.gz JTGUMBGWHFGHTP-UHFFFAOYSA-N 1 1 248.242 1.673 10 5 BDBEMO C[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000051848818 173399946 /nfs/dbraw/zinc/39/99/46/173399946.db2.gz PXIHPGJUNYRTQB-UHFFFAOYSA-N 1 1 248.242 1.673 10 5 BDBEMO CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000408308574 344478799 /nfs/dbraw/zinc/47/87/99/344478799.db2.gz KCJVFADPMYZQOF-UHFFFAOYSA-N 1 1 238.291 1.560 10 5 BDBEMO O=[N+]([O-])c1ccc(CC2(F)C[NH2+]C2)cc1 ZINC000584591753 358250242 /nfs/dbraw/zinc/25/02/42/358250242.db2.gz IFJLAFOKWIHUCV-UHFFFAOYSA-N 1 1 210.208 1.449 10 5 BDBEMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000601327333 371748144 /nfs/dbraw/zinc/74/81/44/371748144.db2.gz SXHUAXVDTPGXLB-PWSUYJOCSA-N 1 1 249.314 1.621 10 5 BDBEMO C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000067448419 372788422 /nfs/dbraw/zinc/78/84/22/372788422.db2.gz ZNHWZGPBDFKEOA-SECBINFHSA-N 1 1 236.275 1.130 10 5 BDBEMO [NH3+]CCCc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000072236575 181387658 /nfs/dbraw/zinc/38/76/58/181387658.db2.gz HDKVUJPQLSLKPA-UHFFFAOYSA-N 1 1 247.258 1.271 10 5 BDBEMO C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408309742 386009752 /nfs/dbraw/zinc/00/97/52/386009752.db2.gz OGVQTOPOKBZOGR-MRVPVSSYSA-N 1 1 224.264 1.313 10 5 BDBEMO C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408309742 386009756 /nfs/dbraw/zinc/00/97/56/386009756.db2.gz OGVQTOPOKBZOGR-MRVPVSSYSA-N 1 1 224.264 1.313 10 5 BDBEMO C[N@H+]1CCCc2ccc([N+](=O)[O-])cc2C1 ZINC000090505029 173062632 /nfs/dbraw/zinc/06/26/32/173062632.db2.gz FYKGJTBCKZERNI-UHFFFAOYSA-N 1 1 206.245 1.973 10 5 BDBEMO C[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655377 173147525 /nfs/dbraw/zinc/14/75/25/173147525.db2.gz RUYMVAGRKYXMDH-GFCCVEGCSA-N 1 1 249.314 1.636 10 5 BDBEMO C[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655377 173147527 /nfs/dbraw/zinc/14/75/27/173147527.db2.gz RUYMVAGRKYXMDH-GFCCVEGCSA-N 1 1 249.314 1.636 10 5 BDBEMO C[NH+](C)/C=C/c1ccc([N+](=O)[O-])c(N)n1 ZINC000215685606 349909144 /nfs/dbraw/zinc/90/91/44/349909144.db2.gz PMLPGMJIXUVUIF-AATRIKPKSA-N 1 1 208.221 1.104 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000408291721 344464103 /nfs/dbraw/zinc/46/41/03/344464103.db2.gz PVTXTUJSTNTQNI-BDAKNGLRSA-N 1 1 236.275 1.313 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000408291721 344464107 /nfs/dbraw/zinc/46/41/07/344464107.db2.gz PVTXTUJSTNTQNI-BDAKNGLRSA-N 1 1 236.275 1.313 10 5 BDBEMO C[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408306877 345101019 /nfs/dbraw/zinc/10/10/19/345101019.db2.gz FIADJZCGQNUYNV-SECBINFHSA-N 1 1 238.291 1.703 10 5 BDBEMO C[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408306877 345101022 /nfs/dbraw/zinc/10/10/22/345101022.db2.gz FIADJZCGQNUYNV-SECBINFHSA-N 1 1 238.291 1.703 10 5 BDBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091480845 345593962 /nfs/dbraw/zinc/59/39/62/345593962.db2.gz BDXDKRCBQGNORU-NSHDSACASA-N 1 1 249.314 1.983 10 5 BDBEMO NC[C@H]([NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072200904 384815000 /nfs/dbraw/zinc/81/50/00/384815000.db2.gz XDNPGEIZDGFBCP-ZETCQYMHSA-N 1 1 215.640 1.207 10 5 BDBEMO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000400441837 533450057 /nfs/dbraw/zinc/45/00/57/533450057.db2.gz MRIVAKINVLYUPO-ZYHUDNBSSA-N 1 1 249.314 1.682 10 5 BDBEMO Cc1[nH+]ccn1-c1ncc([N+](=O)[O-])cc1C ZINC000104294435 178273650 /nfs/dbraw/zinc/27/36/50/178273650.db2.gz KLDCDXQVIUEBJL-UHFFFAOYSA-N 1 1 218.216 1.792 10 5 BDBEMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000389305773 344409599 /nfs/dbraw/zinc/40/95/99/344409599.db2.gz LUJQUEHAWRGFGZ-SSDOTTSWSA-N 1 1 242.304 1.557 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCCCC1 ZINC000408306082 344476723 /nfs/dbraw/zinc/47/67/23/344476723.db2.gz BCTPQVDNZJFDJB-UHFFFAOYSA-N 1 1 224.264 1.314 10 5 BDBEMO Cc1ccc([N+](=O)[O-])cc1-c1nnc(C[NH3+])o1 ZINC000050283508 178932501 /nfs/dbraw/zinc/93/25/01/178932501.db2.gz JJEXSTGSZWLUFZ-UHFFFAOYSA-N 1 1 234.215 1.412 10 5 BDBEMO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000400441835 533449844 /nfs/dbraw/zinc/44/98/44/533449844.db2.gz MRIVAKINVLYUPO-PWSUYJOCSA-N 1 1 249.314 1.682 10 5 BDBEMO C[C@@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114071 134396644 /nfs/dbraw/zinc/39/66/44/134396644.db2.gz VUDJRZDUMYHGMA-SECBINFHSA-N 1 1 236.275 1.130 10 5 BDBEMO C[C@@H]1C[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114071 134396646 /nfs/dbraw/zinc/39/66/46/134396646.db2.gz VUDJRZDUMYHGMA-SECBINFHSA-N 1 1 236.275 1.130 10 5 BDBEMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000389400785 345930758 /nfs/dbraw/zinc/93/07/58/345930758.db2.gz POBYRTILIPNTLE-JTQLQIEISA-N 1 1 236.275 1.496 10 5 BDBEMO [NH3+]CC(F)(F)c1ccccc1[N+](=O)[O-] ZINC000137040078 351271246 /nfs/dbraw/zinc/27/12/46/351271246.db2.gz ORVXCCOKDPDRST-UHFFFAOYSA-N 1 1 202.160 1.645 10 5 BDBEMO COc1ccc(C[NH2+]C2COC2)cc1[N+](=O)[O-] ZINC000094710306 187627945 /nfs/dbraw/zinc/62/79/45/187627945.db2.gz ZSTYRURIJMNALX-UHFFFAOYSA-N 1 1 238.243 1.092 10 5 BDBEMO CC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000336889497 170020671 /nfs/dbraw/zinc/02/06/71/170020671.db2.gz GFLCSXFIPYVWLE-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000336889497 170020673 /nfs/dbraw/zinc/02/06/73/170020673.db2.gz GFLCSXFIPYVWLE-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000042375199 173125767 /nfs/dbraw/zinc/12/57/67/173125767.db2.gz QODMPSNCFDSKJO-MRVPVSSYSA-N 1 1 222.248 1.106 10 5 BDBEMO C[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000051848554 173399369 /nfs/dbraw/zinc/39/93/69/173399369.db2.gz PCCGVMVEULSDHI-UHFFFAOYSA-N 1 1 248.242 1.673 10 5 BDBEMO COc1ccc(-c2cnc(C[NH3+])o2)cc1[N+](=O)[O-] ZINC000075429817 175036196 /nfs/dbraw/zinc/03/61/96/175036196.db2.gz DSRLWVIMDABWAP-UHFFFAOYSA-N 1 1 249.226 1.717 10 5 BDBEMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408256531 136213000 /nfs/dbraw/zinc/21/30/00/136213000.db2.gz NPBLOCWWDLULPR-DTORHVGOSA-N 1 1 238.291 1.701 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568058 173126229 /nfs/dbraw/zinc/12/62/29/173126229.db2.gz CPBFVZHQPKRQMJ-MRVPVSSYSA-N 1 1 222.248 1.106 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000042548253 173156363 /nfs/dbraw/zinc/15/63/63/173156363.db2.gz DLSZPVZPISEGPP-QMMMGPOBSA-N 1 1 222.248 1.106 10 5 BDBEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000104296944 187804732 /nfs/dbraw/zinc/80/47/32/187804732.db2.gz JGHDGOGBTXAFLP-UHFFFAOYSA-N 1 1 221.220 1.131 10 5 BDBEMO O=[N+]([O-])c1ccc(F)cc1NC1=[NH+]CCN1 ZINC000675073119 538505237 /nfs/dbraw/zinc/50/52/37/538505237.db2.gz REVNCWHZVMDOQT-UHFFFAOYSA-N 1 1 224.195 1.105 10 5 BDBEMO CCNc1cc(Cn2cnc([N+](=O)[O-])c2)cc[nH+]1 ZINC000052733025 170172632 /nfs/dbraw/zinc/17/26/32/170172632.db2.gz BDTGPDIAJJWJLD-UHFFFAOYSA-N 1 1 247.258 1.666 10 5 BDBEMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1N ZINC000050830065 172026696 /nfs/dbraw/zinc/02/66/96/172026696.db2.gz KWQHMOPAWJOHMK-UHFFFAOYSA-N 1 1 246.270 1.984 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000042375254 173126021 /nfs/dbraw/zinc/12/60/21/173126021.db2.gz POPCBFCPJNTHLR-MRVPVSSYSA-N 1 1 222.248 1.106 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000042375231 173154448 /nfs/dbraw/zinc/15/44/48/173154448.db2.gz OECQNVCRZMKGKO-JTQLQIEISA-N 1 1 221.260 1.711 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000042291701 173156303 /nfs/dbraw/zinc/15/63/03/173156303.db2.gz OFABCYDVPQCBFY-VIFPVBQESA-N 1 1 221.260 1.711 10 5 BDBEMO CC(C)CN1c2ccc([N+](=O)[O-])cc2[C@H]([NH3+])C1=O ZINC000100236519 344410461 /nfs/dbraw/zinc/41/04/61/344410461.db2.gz FBTJFZXPNORZMC-NSHDSACASA-N 1 1 249.270 1.597 10 5 BDBEMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000389400786 345930537 /nfs/dbraw/zinc/93/05/37/345930537.db2.gz POBYRTILIPNTLE-SNVBAGLBSA-N 1 1 236.275 1.496 10 5 BDBEMO O=[N+]([O-])c1ccc(C[C@@H]2[NH2+]C[C@@H]2F)cc1 ZINC000584591792 358250583 /nfs/dbraw/zinc/25/05/83/358250583.db2.gz KISYVXCANWSIFH-UWVGGRQHSA-N 1 1 210.208 1.447 10 5 BDBEMO CCCNc1nc[nH+]c(NN(C)C)c1[N+](=O)[O-] ZINC000040596860 169296762 /nfs/dbraw/zinc/29/67/62/169296762.db2.gz IVTQQEIVUGBDCO-UHFFFAOYSA-N 1 1 240.267 1.095 10 5 BDBEMO O=[N+]([O-])c1cccc(C2=NCC[NH+]=CC2)c1 ZINC000072416583 384117919 /nfs/dbraw/zinc/11/79/19/384117919.db2.gz CYCZFCQLISOYQK-UHFFFAOYSA-N 1 1 217.228 1.501 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120224 173126520 /nfs/dbraw/zinc/12/65/20/173126520.db2.gz WZVOYRKSCLTANV-SECBINFHSA-N 1 1 239.250 1.850 10 5 BDBEMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601327331 371748056 /nfs/dbraw/zinc/74/80/56/371748056.db2.gz SXHUAXVDTPGXLB-CMPLNLGQSA-N 1 1 249.314 1.621 10 5 BDBEMO C[C@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114074 134396863 /nfs/dbraw/zinc/39/68/63/134396863.db2.gz VUDJRZDUMYHGMA-VIFPVBQESA-N 1 1 236.275 1.130 10 5 BDBEMO C[C@H]1C[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114074 134396864 /nfs/dbraw/zinc/39/68/64/134396864.db2.gz VUDJRZDUMYHGMA-VIFPVBQESA-N 1 1 236.275 1.130 10 5 BDBEMO O=[N+]([O-])c1ccccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000248892935 135025294 /nfs/dbraw/zinc/02/52/94/135025294.db2.gz FCMREGFXHJOCSD-NSHDSACASA-N 1 1 247.298 1.879 10 5 BDBEMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])o1 ZINC000104301597 172027512 /nfs/dbraw/zinc/02/75/12/172027512.db2.gz FHGJNRXAXWPOOP-UHFFFAOYSA-N 1 1 221.216 1.995 10 5 BDBEMO Cc1ccc2c(c1)[nH+]c1cc(N)ccc1[n+]2[O-] ZINC000064549889 385824856 /nfs/dbraw/zinc/82/48/56/385824856.db2.gz YVWQQGNKZAFPPT-UHFFFAOYSA-N 1 1 225.251 1.912 10 5 BDBEMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408348124 386167128 /nfs/dbraw/zinc/16/71/28/386167128.db2.gz ZCZTWFAOBRZSSA-IUCAKERBSA-N 1 1 238.291 1.559 10 5 BDBEMO CC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460249 170013331 /nfs/dbraw/zinc/01/33/31/170013331.db2.gz GXDFMBBZMZIQHH-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460249 170013332 /nfs/dbraw/zinc/01/33/32/170013332.db2.gz GXDFMBBZMZIQHH-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460250 170021590 /nfs/dbraw/zinc/02/15/90/170021590.db2.gz GXDFMBBZMZIQHH-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460250 170021591 /nfs/dbraw/zinc/02/15/91/170021591.db2.gz GXDFMBBZMZIQHH-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2cccc([N+](=O)[O-])c2)C1 ZINC000042548066 173125045 /nfs/dbraw/zinc/12/50/45/173125045.db2.gz INJLTDFBQIKDJK-SNVBAGLBSA-N 1 1 221.260 1.711 10 5 BDBEMO O=[N+]([O-])c1ccccc1[C@H]1[NH2+]CCS1 ZINC000050522772 259370021 /nfs/dbraw/zinc/37/00/21/259370021.db2.gz AWFBYJJTXNGJMS-VIFPVBQESA-N 1 1 210.258 1.930 10 5 BDBEMO CC[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000389320020 344441811 /nfs/dbraw/zinc/44/18/11/344441811.db2.gz GHVPGPCNKXKAGI-VIFPVBQESA-N 1 1 236.275 1.496 10 5 BDBEMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000601327332 347211285 /nfs/dbraw/zinc/21/12/85/347211285.db2.gz SXHUAXVDTPGXLB-JQWIXIFHSA-N 1 1 249.314 1.621 10 5 BDBEMO O=[N+]([O-])C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000247304876 385019824 /nfs/dbraw/zinc/01/98/24/385019824.db2.gz GJYNUKYVXIQGQH-ZSBIGDGJSA-N 1 1 218.256 1.394 10 5 BDBEMO O=[N+]([O-])[C@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000247304876 385019831 /nfs/dbraw/zinc/01/98/31/385019831.db2.gz GJYNUKYVXIQGQH-ZSBIGDGJSA-N 1 1 218.256 1.394 10 5 BDBEMO O=[N+]([O-])[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000247304876 385019835 /nfs/dbraw/zinc/01/98/35/385019835.db2.gz GJYNUKYVXIQGQH-ZSBIGDGJSA-N 1 1 218.256 1.394 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000408291724 344464511 /nfs/dbraw/zinc/46/45/11/344464511.db2.gz PVTXTUJSTNTQNI-RKDXNWHRSA-N 1 1 236.275 1.313 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000408291724 344464512 /nfs/dbraw/zinc/46/45/12/344464512.db2.gz PVTXTUJSTNTQNI-RKDXNWHRSA-N 1 1 236.275 1.313 10 5 BDBEMO Cc1[nH+]ccn1-c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104293116 180229123 /nfs/dbraw/zinc/22/91/23/180229123.db2.gz LHXKLIMKGGRRTA-UHFFFAOYSA-N 1 1 246.226 1.188 10 5 BDBEMO CC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000336892189 170011664 /nfs/dbraw/zinc/01/16/64/170011664.db2.gz JJRHWQPOTRETOC-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000336892189 170011665 /nfs/dbraw/zinc/01/16/65/170011665.db2.gz JJRHWQPOTRETOC-GFCCVEGCSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000336892190 170020772 /nfs/dbraw/zinc/02/07/72/170020772.db2.gz JJRHWQPOTRETOC-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO CC[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000336892190 170020773 /nfs/dbraw/zinc/02/07/73/170020773.db2.gz JJRHWQPOTRETOC-LBPRGKRZSA-N 1 1 249.314 1.779 10 5 BDBEMO C[N@H+]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655380 173117166 /nfs/dbraw/zinc/11/71/66/173117166.db2.gz IREDZSGKNZXDKM-NSHDSACASA-N 1 1 249.314 1.636 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120222 173154820 /nfs/dbraw/zinc/15/48/20/173154820.db2.gz WZVOYRKSCLTANV-VIFPVBQESA-N 1 1 239.250 1.850 10 5 BDBEMO COCC[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817491 174280668 /nfs/dbraw/zinc/28/06/68/174280668.db2.gz JDHFGFLBKJHHCW-UHFFFAOYSA-N 1 1 239.275 1.255 10 5 BDBEMO COC(=O)C[C@H]([NH3+])c1ccc([N+](=O)[O-])s1 ZINC000095638536 644761325 /nfs/dbraw/zinc/76/13/25/644761325.db2.gz UYYFLECOTVVDPU-YFKPBYRVSA-N 1 1 230.245 1.219 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000408291723 345056234 /nfs/dbraw/zinc/05/62/34/345056234.db2.gz PVTXTUJSTNTQNI-IUCAKERBSA-N 1 1 236.275 1.313 10 5 BDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000408291723 345056235 /nfs/dbraw/zinc/05/62/35/345056235.db2.gz PVTXTUJSTNTQNI-IUCAKERBSA-N 1 1 236.275 1.313 10 5 BDBEMO C[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000042548256 173125899 /nfs/dbraw/zinc/12/58/99/173125899.db2.gz DLSZPVZPISEGPP-MRVPVSSYSA-N 1 1 222.248 1.106 10 5 BDBEMO C[N@H+]1CC[C@H](Nc2ccc(O)cc2[N+](=O)[O-])C1 ZINC000061988835 173153837 /nfs/dbraw/zinc/15/38/37/173153837.db2.gz RQLZWVJULCVHPN-QMMMGPOBSA-N 1 1 237.259 1.416 10 5 BDBEMO