smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])cn(Cc2c[nH+]cn2C)c1=O ZINC000268748089 178274318 /nfs/dbraw/zinc/27/43/18/178274318.db2.gz VVEVCYPRXHJSFX-UHFFFAOYSA-N 1 2 248.242 0.847 20 5 BCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000330457036 398315820 /nfs/dbraw/zinc/31/58/20/398315820.db2.gz QDLSKJARCZJXEZ-SNVBAGLBSA-N 1 2 238.243 0.867 20 5 BCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000330457036 398315822 /nfs/dbraw/zinc/31/58/22/398315822.db2.gz QDLSKJARCZJXEZ-SNVBAGLBSA-N 1 2 238.243 0.867 20 5 BCBDLO Cn1cc(Cn2cc[nH+]c2)c([N+](=O)[O-])n1 ZINC000602784299 349749597 /nfs/dbraw/zinc/74/95/97/349749597.db2.gz NCYRDTFNPKEDIA-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000070990558 343582333 /nfs/dbraw/zinc/58/23/33/343582333.db2.gz YPQBLYPGNGSVRU-UHFFFAOYSA-N 1 2 236.187 0.841 20 5 BCBDLO Cc1noc(C[N@H+](CCO)C2CC2)c1[N+](=O)[O-] ZINC000595299606 348217593 /nfs/dbraw/zinc/21/75/93/348217593.db2.gz VSQYAPZZJBEFOX-UHFFFAOYSA-N 1 2 241.247 0.848 20 5 BCBDLO Cc1noc(C[N@@H+](CCO)C2CC2)c1[N+](=O)[O-] ZINC000595299606 348217595 /nfs/dbraw/zinc/21/75/95/348217595.db2.gz VSQYAPZZJBEFOX-UHFFFAOYSA-N 1 2 241.247 0.848 20 5 BCBDLO Cn1cc[nH+]c1Cn1nccc1[N+](=O)[O-] ZINC000158545169 180752697 /nfs/dbraw/zinc/75/26/97/180752697.db2.gz YAJKIFYHYWVQLM-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO Cn1c[nH+]cc1CCn1cc([N+](=O)[O-])ccc1=O ZINC000287508122 188387886 /nfs/dbraw/zinc/38/78/86/188387886.db2.gz LBCVIOMOHHHXEL-UHFFFAOYSA-N 1 2 248.242 0.733 20 5 BCBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000088759366 356808883 /nfs/dbraw/zinc/80/88/83/356808883.db2.gz KBVSSOMPZUJUMG-UHFFFAOYSA-N 1 2 235.203 0.576 20 5 BCBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000088759366 356808888 /nfs/dbraw/zinc/80/88/88/356808888.db2.gz KBVSSOMPZUJUMG-UHFFFAOYSA-N 1 2 235.203 0.576 20 5 BCBDLO CNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000053147743 358105353 /nfs/dbraw/zinc/10/53/53/358105353.db2.gz NHFXZTGLTUCWKS-UHFFFAOYSA-N 1 2 237.259 0.773 20 5 BCBDLO CNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000053147743 358105358 /nfs/dbraw/zinc/10/53/58/358105358.db2.gz NHFXZTGLTUCWKS-UHFFFAOYSA-N 1 2 237.259 0.773 20 5 BCBDLO Cc1cc[nH+]cc1Cn1cnc([N+](=O)[O-])n1 ZINC000433374923 201184742 /nfs/dbraw/zinc/18/47/42/201184742.db2.gz NUOMZDMSSYYHSU-UHFFFAOYSA-N 1 2 219.204 0.938 20 5 BCBDLO O=c1ccc([N+](=O)[O-])cn1CCn1cc[nH+]c1 ZINC000124380689 183001403 /nfs/dbraw/zinc/00/14/03/183001403.db2.gz QCCJZNDNUAZLQD-UHFFFAOYSA-N 1 2 234.215 0.653 20 5 BCBDLO Cc1cc(=O)n(Cc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000268505161 387021494 /nfs/dbraw/zinc/02/14/94/387021494.db2.gz UMZYDGLHLPRHQL-UHFFFAOYSA-N 1 2 248.242 0.847 20 5 BCBDLO COc1cc(C)[nH+]c(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000270143237 387516473 /nfs/dbraw/zinc/51/64/73/387516473.db2.gz PMJSEXLLQRYSQQ-UHFFFAOYSA-N 1 2 249.230 0.947 20 5 BCBDLO Cc1noc(C[N@H+](C)CCC(N)=O)c1[N+](=O)[O-] ZINC000595482693 388386426 /nfs/dbraw/zinc/38/64/26/388386426.db2.gz INPVJGHPIQSEGR-UHFFFAOYSA-N 1 2 242.235 0.198 20 5 BCBDLO Cc1noc(C[N@@H+](C)CCC(N)=O)c1[N+](=O)[O-] ZINC000595482693 388386429 /nfs/dbraw/zinc/38/64/29/388386429.db2.gz INPVJGHPIQSEGR-UHFFFAOYSA-N 1 2 242.235 0.198 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCO)C1CC1 ZINC000331507398 388774851 /nfs/dbraw/zinc/77/48/51/388774851.db2.gz PFABIYRNWCPISX-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)C1CC1 ZINC000331507398 388774858 /nfs/dbraw/zinc/77/48/58/388774858.db2.gz PFABIYRNWCPISX-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH]cc[nH+]1 ZINC000590567700 411891597 /nfs/dbraw/zinc/89/15/97/411891597.db2.gz CAGUYUQEZCRAHJ-RXMQYKEDSA-N 1 2 249.234 0.863 20 5 BCBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176200930 177255654 /nfs/dbraw/zinc/25/56/54/177255654.db2.gz JHYWIHVMYJIUIE-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176200930 177255655 /nfs/dbraw/zinc/25/56/55/177255655.db2.gz JHYWIHVMYJIUIE-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855134930 588822920 /nfs/dbraw/zinc/82/29/20/588822920.db2.gz CDWOKUQXQQKNEM-HTQZYQBOSA-N 1 2 224.220 0.033 20 5 BCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855134930 588822921 /nfs/dbraw/zinc/82/29/21/588822921.db2.gz CDWOKUQXQQKNEM-HTQZYQBOSA-N 1 2 224.220 0.033 20 5 BCBDLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857977706 588926681 /nfs/dbraw/zinc/92/66/81/588926681.db2.gz YBXWOVHJJVSGJY-GJMOJQLCSA-N 1 2 236.231 0.109 20 5 BCBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC[N+](=O)[O-] ZINC000787734198 585914926 /nfs/dbraw/zinc/91/49/26/585914926.db2.gz AHDHWBABZYUYMD-UTLUCORTSA-N 1 2 242.275 0.537 20 5 BCBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC[N+](=O)[O-] ZINC000787734198 585914927 /nfs/dbraw/zinc/91/49/27/585914927.db2.gz AHDHWBABZYUYMD-UTLUCORTSA-N 1 2 242.275 0.537 20 5 BCBDLO CO[C@@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000795751338 586091648 /nfs/dbraw/zinc/09/16/48/586091648.db2.gz PEIBECAUHAJLNU-QMMMGPOBSA-N 1 2 228.252 0.716 20 5 BCBDLO CO[C@@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000795751338 586091649 /nfs/dbraw/zinc/09/16/49/586091649.db2.gz PEIBECAUHAJLNU-QMMMGPOBSA-N 1 2 228.252 0.716 20 5 BCBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840467199 587143620 /nfs/dbraw/zinc/14/36/20/587143620.db2.gz RMWDFEXVKVRUDC-IVZWLZJFSA-N 1 2 241.291 0.204 20 5 BCBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840467199 587143621 /nfs/dbraw/zinc/14/36/21/587143621.db2.gz RMWDFEXVKVRUDC-IVZWLZJFSA-N 1 2 241.291 0.204 20 5 BCBDLO O=[N+]([O-])CC[NH2+]Cc1cn2ccccc2n1 ZINC000905029533 637576839 /nfs/dbraw/zinc/57/68/39/637576839.db2.gz XRYPIDSAUMZIBQ-UHFFFAOYSA-N 1 2 220.232 0.701 20 5 BCBDLO Cc1nnsc1C[NH2+]CC[N+](=O)[O-] ZINC000905263002 637717400 /nfs/dbraw/zinc/71/74/00/637717400.db2.gz OAHBAPRBXGSYKW-UHFFFAOYSA-N 1 2 202.239 0.213 20 5 BCBDLO C[C@H]1OCC[C@]12C[N@H+](CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268761 639672608 /nfs/dbraw/zinc/67/26/08/639672608.db2.gz RDHRIMQMVKECOT-MXWKQRLJSA-N 1 2 244.291 0.531 20 5 BCBDLO C[C@H]1OCC[C@]12C[N@@H+](CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268761 639672610 /nfs/dbraw/zinc/67/26/10/639672610.db2.gz RDHRIMQMVKECOT-MXWKQRLJSA-N 1 2 244.291 0.531 20 5 BCBDLO C[C@@H]1OCC[C@@]12C[N@H+](CC[N+](=O)[O-])CCO2 ZINC000930276630 639679984 /nfs/dbraw/zinc/67/99/84/639679984.db2.gz RLQMGSIMUNJYCW-VHSXEESVSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC[N+](=O)[O-])CCO2 ZINC000930276630 639679989 /nfs/dbraw/zinc/67/99/89/639679989.db2.gz RLQMGSIMUNJYCW-VHSXEESVSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000930302383 639689532 /nfs/dbraw/zinc/68/95/32/639689532.db2.gz VHZJTCRSSZFSSQ-WDEREUQCSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000930302383 639689540 /nfs/dbraw/zinc/68/95/40/639689540.db2.gz VHZJTCRSSZFSSQ-WDEREUQCSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000930302378 639690978 /nfs/dbraw/zinc/69/09/78/639690978.db2.gz VHZJTCRSSZFSSQ-GHMZBOCLSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000930302378 639690979 /nfs/dbraw/zinc/69/09/79/639690979.db2.gz VHZJTCRSSZFSSQ-GHMZBOCLSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N+](=O)[O-] ZINC000930454635 639759245 /nfs/dbraw/zinc/75/92/45/639759245.db2.gz HQCKIGDUZLELFM-MNOVXSKESA-N 1 2 243.307 0.058 20 5 BCBDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000930686590 639862822 /nfs/dbraw/zinc/86/28/22/639862822.db2.gz KYDSVMABHDAEAP-UHFFFAOYSA-N 1 2 247.295 0.720 20 5 BCBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000930686590 639862828 /nfs/dbraw/zinc/86/28/28/639862828.db2.gz KYDSVMABHDAEAP-UHFFFAOYSA-N 1 2 247.295 0.720 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000930819972 639922560 /nfs/dbraw/zinc/92/25/60/639922560.db2.gz IKWJEWLZNBVWHR-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000930819972 639922572 /nfs/dbraw/zinc/92/25/72/639922572.db2.gz IKWJEWLZNBVWHR-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCC2)O1 ZINC000930827445 639928449 /nfs/dbraw/zinc/92/84/49/639928449.db2.gz VTNGBCPBICQMAI-VIFPVBQESA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCC2)O1 ZINC000930827445 639928459 /nfs/dbraw/zinc/92/84/59/639928459.db2.gz VTNGBCPBICQMAI-VIFPVBQESA-N 1 2 214.265 0.907 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933895464 640781923 /nfs/dbraw/zinc/78/19/23/640781923.db2.gz PEWSSTLZSMMVFO-MRVPVSSYSA-N 1 2 216.237 0.100 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933895464 640781927 /nfs/dbraw/zinc/78/19/27/640781927.db2.gz PEWSSTLZSMMVFO-MRVPVSSYSA-N 1 2 216.237 0.100 20 5 BCBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000929269710 646048106 /nfs/dbraw/zinc/04/81/06/646048106.db2.gz LXCPVIKSLSEDDJ-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000929269710 646048109 /nfs/dbraw/zinc/04/81/09/646048109.db2.gz LXCPVIKSLSEDDJ-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[N+](=O)[O-])[C@H]2C1 ZINC000930091767 646431645 /nfs/dbraw/zinc/43/16/45/646431645.db2.gz ZKGDFZGXJASXBQ-VWYCJHECSA-N 1 2 244.291 0.531 20 5 BCBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[N+](=O)[O-])[C@H]2C1 ZINC000930091767 646431647 /nfs/dbraw/zinc/43/16/47/646431647.db2.gz ZKGDFZGXJASXBQ-VWYCJHECSA-N 1 2 244.291 0.531 20 5 BCBDLO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1nncn1C ZINC000930446230 712712542 /nfs/dbraw/zinc/71/25/42/712712542.db2.gz MLQRWDMJEHBRBU-MRVPVSSYSA-N 1 2 227.268 0.379 20 5 BCBDLO C[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000192633046 398208592 /nfs/dbraw/zinc/20/85/92/398208592.db2.gz KIIZTPPJQKEGOQ-UHFFFAOYSA-N 1 2 223.232 0.512 20 5 BCBDLO C[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000192633046 398208596 /nfs/dbraw/zinc/20/85/96/398208596.db2.gz KIIZTPPJQKEGOQ-UHFFFAOYSA-N 1 2 223.232 0.512 20 5 BCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991684 343582768 /nfs/dbraw/zinc/58/27/68/343582768.db2.gz PHJVSBUKSYJDJR-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000380223633 343694753 /nfs/dbraw/zinc/69/47/53/343694753.db2.gz YKDRXPKTLMJCEA-UHFFFAOYSA-N 1 2 249.230 0.884 20 5 BCBDLO Cn1c[nH+]c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000603315904 349912683 /nfs/dbraw/zinc/91/26/83/349912683.db2.gz WJVSTVRHHKRYKX-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])cn1 ZINC000073529027 352365955 /nfs/dbraw/zinc/36/59/55/352365955.db2.gz MIGNBAKKUNSDJC-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000052929110 353135135 /nfs/dbraw/zinc/13/51/35/353135135.db2.gz RNAPTUKUKGCFNH-UHFFFAOYSA-N 1 2 238.247 0.311 20 5 BCBDLO C[C@H]1COCC[N@@H+]1CCn1nccc1[N+](=O)[O-] ZINC000412994201 191331490 /nfs/dbraw/zinc/33/14/90/191331490.db2.gz PXWWZIAGRBKUJA-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@H]1COCC[N@H+]1CCn1nccc1[N+](=O)[O-] ZINC000412994201 191331493 /nfs/dbraw/zinc/33/14/93/191331493.db2.gz PXWWZIAGRBKUJA-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO Cn1cc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])n1 ZINC000602448949 371806188 /nfs/dbraw/zinc/80/61/88/371806188.db2.gz WRXIJTOXIFUBNI-UHFFFAOYSA-N 1 2 240.263 0.551 20 5 BCBDLO Cn1cc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])n1 ZINC000602448949 371806199 /nfs/dbraw/zinc/80/61/99/371806199.db2.gz WRXIJTOXIFUBNI-UHFFFAOYSA-N 1 2 240.263 0.551 20 5 BCBDLO Cn1cc(C[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000602463736 371806267 /nfs/dbraw/zinc/80/62/67/371806267.db2.gz VGTSJTARUQIGGI-VIFPVBQESA-N 1 2 240.263 0.549 20 5 BCBDLO Cn1cc(C[N@@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000602463736 371806274 /nfs/dbraw/zinc/80/62/74/371806274.db2.gz VGTSJTARUQIGGI-VIFPVBQESA-N 1 2 240.263 0.549 20 5 BCBDLO Cn1c[nH+]c(Cn2nccc2[N+](=O)[O-])c1 ZINC000603313629 371882339 /nfs/dbraw/zinc/88/23/39/371882339.db2.gz KYUAPQDOQBBGDE-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO O=[N+]([O-])c1ccn(CCn2cc[nH+]c2)n1 ZINC000176200702 384464732 /nfs/dbraw/zinc/46/47/32/384464732.db2.gz PJHZBKRZGIPKNS-UHFFFAOYSA-N 1 2 207.193 0.688 20 5 BCBDLO Cn1cc[nH+]c1CNc1c([N+](=O)[O-])ncn1C ZINC000109346612 385151187 /nfs/dbraw/zinc/15/11/87/385151187.db2.gz MXJVGTSRAZWDSQ-UHFFFAOYSA-N 1 2 236.235 0.674 20 5 BCBDLO Cn1c[nH+]cc1Cn1nccc1[N+](=O)[O-] ZINC000269136962 386870638 /nfs/dbraw/zinc/87/06/38/386870638.db2.gz SRJZRGVZNFDFOG-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000144353674 388111526 /nfs/dbraw/zinc/11/15/26/388111526.db2.gz BCJNTVDFSYKCFB-ZETCQYMHSA-N 1 2 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O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844753535 588216023 /nfs/dbraw/zinc/21/60/23/588216023.db2.gz IICWIZSFZBGTPL-KNVOCYPGSA-N 1 2 244.201 0.946 20 5 BCBDLO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844753535 588216024 /nfs/dbraw/zinc/21/60/24/588216024.db2.gz IICWIZSFZBGTPL-KNVOCYPGSA-N 1 2 244.201 0.946 20 5 BCBDLO Cc1nc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)no1 ZINC000931935202 635467525 /nfs/dbraw/zinc/46/75/25/635467525.db2.gz XKGOTIFOMQFXFH-QMMMGPOBSA-N 1 2 226.236 0.444 20 5 BCBDLO Cc1nc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)no1 ZINC000931935202 635467530 /nfs/dbraw/zinc/46/75/30/635467530.db2.gz XKGOTIFOMQFXFH-QMMMGPOBSA-N 1 2 226.236 0.444 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000791054183 635763401 /nfs/dbraw/zinc/76/34/01/635763401.db2.gz YJUXINRMSIQECX-BQBZGAKWSA-N 1 2 242.197 0.651 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000791054183 635763407 /nfs/dbraw/zinc/76/34/07/635763407.db2.gz 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ZINC000930124032 642464671 /nfs/dbraw/zinc/46/46/71/642464671.db2.gz LUWJUGFHGLJDOO-VIFPVBQESA-N 1 2 202.254 0.764 20 5 BCBDLO O=[N+]([O-])CCN1CC[NH+](Cc2ccco2)CC1 ZINC000929192092 645997388 /nfs/dbraw/zinc/99/73/88/645997388.db2.gz SZHLMRZYHCSCGV-UHFFFAOYSA-N 1 2 239.275 0.674 20 5 BCBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000929269707 646047874 /nfs/dbraw/zinc/04/78/74/646047874.db2.gz LXCPVIKSLSEDDJ-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000929269707 646047880 /nfs/dbraw/zinc/04/78/80/646047880.db2.gz LXCPVIKSLSEDDJ-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000929620700 646206639 /nfs/dbraw/zinc/20/66/39/646206639.db2.gz VCGOOSLMKDOQHZ-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000929620700 646206641 /nfs/dbraw/zinc/20/66/41/646206641.db2.gz VCGOOSLMKDOQHZ-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933673220 711545630 /nfs/dbraw/zinc/54/56/30/711545630.db2.gz FPBVBGRPVILQSB-MNOVXSKESA-N 1 2 244.291 0.391 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933673220 711545632 /nfs/dbraw/zinc/54/56/32/711545632.db2.gz FPBVBGRPVILQSB-MNOVXSKESA-N 1 2 244.291 0.391 20 5 BCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000070980802 343578154 /nfs/dbraw/zinc/57/81/54/343578154.db2.gz JKFWONCDQRORFT-UHFFFAOYSA-N 1 2 249.230 0.918 20 5 BCBDLO O=[N+]([O-])c1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000596236898 348482555 /nfs/dbraw/zinc/48/25/55/348482555.db2.gz OFZWYORYBNGSBM-UHFFFAOYSA-N 1 2 246.230 0.671 20 5 BCBDLO CN(Cc1[nH]cc[nH+]1)c1c([N+](=O)[O-])ncn1C ZINC000345659133 355862109 /nfs/dbraw/zinc/86/21/09/355862109.db2.gz IPHSLVWYYIWPGF-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO Cn1c(C(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000070991128 359069794 /nfs/dbraw/zinc/06/97/94/359069794.db2.gz LKZBZSPACRGFBS-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO Nc1ccc(CNc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC000302798599 181707420 /nfs/dbraw/zinc/70/74/20/181707420.db2.gz BCVOBPOPSIDKKM-UHFFFAOYSA-N 1 2 246.230 0.974 20 5 BCBDLO C[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896792 383852859 /nfs/dbraw/zinc/85/28/59/383852859.db2.gz CAKPYTDZIVBILH-UHFFFAOYSA-N 1 2 226.232 0.725 20 5 BCBDLO C[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896792 383852867 /nfs/dbraw/zinc/85/28/67/383852867.db2.gz CAKPYTDZIVBILH-UHFFFAOYSA-N 1 2 226.232 0.725 20 5 BCBDLO [NH3+]CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236185278 385062429 /nfs/dbraw/zinc/06/24/29/385062429.db2.gz CVUXWRZBTVHGTJ-UHFFFAOYSA-N 1 2 239.231 0.978 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000290621284 385502566 /nfs/dbraw/zinc/50/25/66/385502566.db2.gz GLWYSEHQJNIYCR-UHFFFAOYSA-N 1 2 248.246 0.545 20 5 BCBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc[nH+]1 ZINC000352948179 388366293 /nfs/dbraw/zinc/36/62/93/388366293.db2.gz REIGDUYVEQZCEZ-UHFFFAOYSA-N 1 2 247.214 0.696 20 5 BCBDLO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000424190163 388695357 /nfs/dbraw/zinc/69/53/57/388695357.db2.gz LYBCGJAKKPENEF-NKWVEPMBSA-N 1 2 237.215 0.586 20 5 BCBDLO CC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000051085522 323173329 /nfs/dbraw/zinc/17/33/29/323173329.db2.gz JIYSHCPINFGCKL-UHFFFAOYSA-N 1 2 237.259 0.902 20 5 BCBDLO CC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000051085522 323173330 /nfs/dbraw/zinc/17/33/30/323173330.db2.gz JIYSHCPINFGCKL-UHFFFAOYSA-N 1 2 237.259 0.902 20 5 BCBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC2(COC2)C1 ZINC000853598992 588750228 /nfs/dbraw/zinc/75/02/28/588750228.db2.gz ZVBMAZGKTROZMN-UHFFFAOYSA-N 1 2 238.247 0.471 20 5 BCBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC2(COC2)C1 ZINC000853598992 588750229 /nfs/dbraw/zinc/75/02/29/588750229.db2.gz ZVBMAZGKTROZMN-UHFFFAOYSA-N 1 2 238.247 0.471 20 5 BCBDLO O=C1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCN1 ZINC000726792438 583374424 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ZINC000772824660 585624885 /nfs/dbraw/zinc/62/48/85/585624885.db2.gz NFTLYQGFBAFTIA-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO C[C@@H]1COCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000772824660 585624886 /nfs/dbraw/zinc/62/48/86/585624886.db2.gz NFTLYQGFBAFTIA-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[N+](=O)[O-] ZINC000787734193 585915006 /nfs/dbraw/zinc/91/50/06/585915006.db2.gz AHDHWBABZYUYMD-AEJSXWLSSA-N 1 2 242.275 0.537 20 5 BCBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC[N+](=O)[O-] ZINC000787734193 585915007 /nfs/dbraw/zinc/91/50/07/585915007.db2.gz AHDHWBABZYUYMD-AEJSXWLSSA-N 1 2 242.275 0.537 20 5 BCBDLO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795674448 586090887 /nfs/dbraw/zinc/09/08/87/586090887.db2.gz KBIOFMYMHMZBPY-WAAGHKOSSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795674448 586090888 /nfs/dbraw/zinc/09/08/88/586090888.db2.gz KBIOFMYMHMZBPY-WAAGHKOSSA-N 1 2 240.263 0.858 20 5 BCBDLO O=[N+]([O-])c1ccnn1CN1CCn2c[nH+]cc2C1 ZINC000811787630 586566682 /nfs/dbraw/zinc/56/66/82/586566682.db2.gz NNMNHTWTZCECFE-UHFFFAOYSA-N 1 2 248.246 0.461 20 5 BCBDLO O=C(OCCCn1cc[nH+]c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673496 587916271 /nfs/dbraw/zinc/91/62/71/587916271.db2.gz QHOYOPOBYYZLED-RKDXNWHRSA-N 1 2 239.231 0.482 20 5 BCBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106858111 588313107 /nfs/dbraw/zinc/31/31/07/588313107.db2.gz MERSNWXFILKJHT-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106858111 588313109 /nfs/dbraw/zinc/31/31/09/588313109.db2.gz MERSNWXFILKJHT-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1(CO)CC1 ZINC000886202783 592175374 /nfs/dbraw/zinc/17/53/74/592175374.db2.gz DUXZJJCHSOFZJG-UHFFFAOYSA-N 1 2 237.259 0.947 20 5 BCBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1(CO)CC1 ZINC000886202783 592175376 /nfs/dbraw/zinc/17/53/76/592175376.db2.gz DUXZJJCHSOFZJG-UHFFFAOYSA-N 1 2 237.259 0.947 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000791054187 635763593 /nfs/dbraw/zinc/76/35/93/635763593.db2.gz YJUXINRMSIQECX-NKWVEPMBSA-N 1 2 242.197 0.651 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000791054187 635763598 /nfs/dbraw/zinc/76/35/98/635763598.db2.gz YJUXINRMSIQECX-NKWVEPMBSA-N 1 2 242.197 0.651 20 5 BCBDLO O=C(C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc21 ZINC000905088289 637589128 /nfs/dbraw/zinc/58/91/28/637589128.db2.gz JKSDGKYNLBDINO-UHFFFAOYSA-N 1 2 249.270 0.442 20 5 BCBDLO CC(C)n1ccc(C[NH2+]CC[N+](=O)[O-])n1 ZINC000905139379 637648062 /nfs/dbraw/zinc/64/80/62/637648062.db2.gz XPISFTYQUSVMHP-UHFFFAOYSA-N 1 2 212.253 0.830 20 5 BCBDLO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])c2nccn21 ZINC000905281332 637734506 /nfs/dbraw/zinc/73/45/06/637734506.db2.gz UBLRJJXWOMHVMF-SFYZADRCSA-N 1 2 210.237 0.755 20 5 BCBDLO Cn1nc(C[NH2+]CC[N+](=O)[O-])cc1C1CC1 ZINC000905626458 637862610 /nfs/dbraw/zinc/86/26/10/637862610.db2.gz VPNNNRVSYOXCNA-UHFFFAOYSA-N 1 2 224.264 0.664 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000930267681 639668952 /nfs/dbraw/zinc/66/89/52/639668952.db2.gz JANMEDULYUEROZ-SNVBAGLBSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000930267681 639668955 /nfs/dbraw/zinc/66/89/55/639668955.db2.gz JANMEDULYUEROZ-SNVBAGLBSA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000930267678 639669349 /nfs/dbraw/zinc/66/93/49/639669349.db2.gz JANMEDULYUEROZ-JTQLQIEISA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000930267678 639669351 /nfs/dbraw/zinc/66/93/51/639669351.db2.gz JANMEDULYUEROZ-JTQLQIEISA-N 1 2 244.291 0.533 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCC2)O1 ZINC000930827444 639926646 /nfs/dbraw/zinc/92/66/46/639926646.db2.gz VTNGBCPBICQMAI-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCC2)O1 ZINC000930827444 639926655 /nfs/dbraw/zinc/92/66/55/639926655.db2.gz VTNGBCPBICQMAI-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C2(CCC2)CO1 ZINC000930857227 639950745 /nfs/dbraw/zinc/95/07/45/639950745.db2.gz UMVYTUJONMSHPI-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C2(CCC2)CO1 ZINC000930857227 639950748 /nfs/dbraw/zinc/95/07/48/639950748.db2.gz UMVYTUJONMSHPI-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930967307 640003189 /nfs/dbraw/zinc/00/31/89/640003189.db2.gz HYAUWRULJKKNSK-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930967307 640003196 /nfs/dbraw/zinc/00/31/96/640003196.db2.gz HYAUWRULJKKNSK-SECBINFHSA-N 1 2 214.265 0.907 20 5 BCBDLO CO[C@]1(C(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931686375 640316330 /nfs/dbraw/zinc/31/63/30/640316330.db2.gz KLPRGZSNSLGRMJ-SSDOTTSWSA-N 1 2 242.197 0.916 20 5 BCBDLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931686375 640316334 /nfs/dbraw/zinc/31/63/34/640316334.db2.gz KLPRGZSNSLGRMJ-SSDOTTSWSA-N 1 2 242.197 0.916 20 5 BCBDLO C[C@]1(C2CC2)COCC[N@@H+]1CC[N+](=O)[O-] ZINC000934476397 641167832 /nfs/dbraw/zinc/16/78/32/641167832.db2.gz ZKUSKUBIFKFRJL-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO C[C@]1(C2CC2)COCC[N@H+]1CC[N+](=O)[O-] ZINC000934476397 641167838 /nfs/dbraw/zinc/16/78/38/641167838.db2.gz ZKUSKUBIFKFRJL-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1nncn1C ZINC000930446231 712712522 /nfs/dbraw/zinc/71/25/22/712712522.db2.gz MLQRWDMJEHBRBU-QMMMGPOBSA-N 1 2 227.268 0.379 20 5 BCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(N)=O ZINC000273396741 178271382 /nfs/dbraw/zinc/27/13/82/178271382.db2.gz FPOWYBLJVRVEAS-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(N)=O ZINC000273396741 178271388 /nfs/dbraw/zinc/27/13/88/178271388.db2.gz FPOWYBLJVRVEAS-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)C1 ZINC000330457035 398316040 /nfs/dbraw/zinc/31/60/40/398316040.db2.gz QDLSKJARCZJXEZ-JTQLQIEISA-N 1 2 238.243 0.867 20 5 BCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000330457035 398316043 /nfs/dbraw/zinc/31/60/43/398316043.db2.gz QDLSKJARCZJXEZ-JTQLQIEISA-N 1 2 238.243 0.867 20 5 BCBDLO Cn1cc(C[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])n1 ZINC000602676898 349669850 /nfs/dbraw/zinc/66/98/50/349669850.db2.gz UCTDSOJKFUXOES-MRVPVSSYSA-N 1 2 228.227 0.872 20 5 BCBDLO Cn1cc(C[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])n1 ZINC000602676898 349669852 /nfs/dbraw/zinc/66/98/52/349669852.db2.gz UCTDSOJKFUXOES-MRVPVSSYSA-N 1 2 228.227 0.872 20 5 BCBDLO Cc1noc(C[N@@H+]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595290428 348213184 /nfs/dbraw/zinc/21/31/84/348213184.db2.gz BOVGLGKMRHILNJ-MRVPVSSYSA-N 1 2 241.247 0.848 20 5 BCBDLO Cc1noc(C[N@H+]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595290428 348213186 /nfs/dbraw/zinc/21/31/86/348213186.db2.gz BOVGLGKMRHILNJ-MRVPVSSYSA-N 1 2 241.247 0.848 20 5 BCBDLO Cc1noc(C[N@@H+](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000595324806 348226711 /nfs/dbraw/zinc/22/67/11/348226711.db2.gz GTUIXINDNAABAH-LURJTMIESA-N 1 2 229.236 0.704 20 5 BCBDLO Cc1noc(C[N@H+](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000595324806 348226713 /nfs/dbraw/zinc/22/67/13/348226713.db2.gz GTUIXINDNAABAH-LURJTMIESA-N 1 2 229.236 0.704 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1N1CCc2[nH+]c[nH]c2C1 ZINC000596237764 348482532 /nfs/dbraw/zinc/48/25/32/348482532.db2.gz WSKDVHRKAGBDKH-UHFFFAOYSA-N 1 2 248.246 0.614 20 5 BCBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344438771 351129080 /nfs/dbraw/zinc/12/90/80/351129080.db2.gz ZSNIFUKOZJAULH-UHFFFAOYSA-N 1 2 249.230 0.549 20 5 BCBDLO C[C@H](C(N)=O)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606531 356750124 /nfs/dbraw/zinc/75/01/24/356750124.db2.gz SNBGGDIZIHZJIY-MRVPVSSYSA-N 1 2 249.270 0.827 20 5 BCBDLO C[C@H](C(N)=O)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606531 356750126 /nfs/dbraw/zinc/75/01/26/356750126.db2.gz SNBGGDIZIHZJIY-MRVPVSSYSA-N 1 2 249.270 0.827 20 5 BCBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000088753218 359975227 /nfs/dbraw/zinc/97/52/27/359975227.db2.gz NFKFTZOHCCYQHL-UHFFFAOYSA-N 1 2 235.203 0.576 20 5 BCBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000088753218 359975231 /nfs/dbraw/zinc/97/52/31/359975231.db2.gz NFKFTZOHCCYQHL-UHFFFAOYSA-N 1 2 235.203 0.576 20 5 BCBDLO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285608377 181382103 /nfs/dbraw/zinc/38/21/03/181382103.db2.gz CFWUWQFRPZZTGV-UHFFFAOYSA-N 1 2 239.231 0.379 20 5 BCBDLO Cn1cc(COCc2[nH]cc[nH+]2)c([N+](=O)[O-])n1 ZINC000603329482 371883609 /nfs/dbraw/zinc/88/36/09/371883609.db2.gz ZPLZCDXFBVMZRH-UHFFFAOYSA-N 1 2 237.219 0.768 20 5 BCBDLO C[C@H](O)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000361513956 384906721 /nfs/dbraw/zinc/90/67/21/384906721.db2.gz IJXVDMLNYIQXNT-ZETCQYMHSA-N 1 2 228.252 0.141 20 5 BCBDLO C[C@H](O)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000361513956 384906724 /nfs/dbraw/zinc/90/67/24/384906724.db2.gz IJXVDMLNYIQXNT-ZETCQYMHSA-N 1 2 228.252 0.141 20 5 BCBDLO C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190299428 173096125 /nfs/dbraw/zinc/09/61/25/173096125.db2.gz ZIZYCFVRJVQQQO-UHFFFAOYSA-N 1 2 228.277 0.803 20 5 BCBDLO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262262617 173356111 /nfs/dbraw/zinc/35/61/11/173356111.db2.gz UQUJCFWKRHEXMD-UHFFFAOYSA-N 1 2 239.231 0.250 20 5 BCBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000853595430 588750267 /nfs/dbraw/zinc/75/02/67/588750267.db2.gz PHVJBOZZZKCGOJ-UHFFFAOYSA-N 1 2 238.247 0.471 20 5 BCBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC3(COC3)C2)c1 ZINC000853595430 588750268 /nfs/dbraw/zinc/75/02/68/588750268.db2.gz PHVJBOZZZKCGOJ-UHFFFAOYSA-N 1 2 238.247 0.471 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC(C)(C)O1 ZINC000791053033 583385333 /nfs/dbraw/zinc/38/53/33/583385333.db2.gz RYAXXPVUJOMGIY-MRVPVSSYSA-N 1 2 202.254 0.762 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC(C)(C)O1 ZINC000791053033 583385336 /nfs/dbraw/zinc/38/53/36/583385336.db2.gz RYAXXPVUJOMGIY-MRVPVSSYSA-N 1 2 202.254 0.762 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC(C)(C)O1 ZINC000791053034 583385528 /nfs/dbraw/zinc/38/55/28/583385528.db2.gz RYAXXPVUJOMGIY-QMMMGPOBSA-N 1 2 202.254 0.762 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC(C)(C)O1 ZINC000791053034 583385529 /nfs/dbraw/zinc/38/55/29/583385529.db2.gz RYAXXPVUJOMGIY-QMMMGPOBSA-N 1 2 202.254 0.762 20 5 BCBDLO O=[N+]([O-])c1ccn(CCN2CC=CC[NH2+]2)n1 ZINC000903488587 584780501 /nfs/dbraw/zinc/78/05/01/584780501.db2.gz MBRPJKBYHMQGMN-UHFFFAOYSA-N 1 2 223.236 0.168 20 5 BCBDLO O=C1C[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000791052393 585972780 /nfs/dbraw/zinc/97/27/80/585972780.db2.gz MTTLDAYHRRLWSE-RKDXNWHRSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C1C[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000791052393 585972781 /nfs/dbraw/zinc/97/27/81/585972781.db2.gz MTTLDAYHRRLWSE-RKDXNWHRSA-N 1 2 227.264 0.006 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000791055318 585973318 /nfs/dbraw/zinc/97/33/18/585973318.db2.gz RWZXFLZHMGYQAC-UHFFFAOYSA-N 1 2 216.237 0.102 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCCC2(C1)OCCO2 ZINC000791055318 585973319 /nfs/dbraw/zinc/97/33/19/585973319.db2.gz RWZXFLZHMGYQAC-UHFFFAOYSA-N 1 2 216.237 0.102 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC=C[C@@H]1CO ZINC000886317958 592207830 /nfs/dbraw/zinc/20/78/30/592207830.db2.gz FZWLKNZOUQPYFG-SNVBAGLBSA-N 1 2 235.243 0.723 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC=C[C@@H]1CO ZINC000886317958 592207833 /nfs/dbraw/zinc/20/78/33/592207833.db2.gz FZWLKNZOUQPYFG-SNVBAGLBSA-N 1 2 235.243 0.723 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]1CO ZINC000934016473 631609257 /nfs/dbraw/zinc/60/92/57/631609257.db2.gz VZFONUVBZASGTC-SECBINFHSA-N 1 2 223.232 0.556 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]1CO ZINC000934016473 631609263 /nfs/dbraw/zinc/60/92/63/631609263.db2.gz VZFONUVBZASGTC-SECBINFHSA-N 1 2 223.232 0.556 20 5 BCBDLO CC[C@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](C)CO1 ZINC000930852770 634137465 /nfs/dbraw/zinc/13/74/65/634137465.db2.gz PJRLRIFCLUPKRL-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](C)CO1 ZINC000930852770 634137468 /nfs/dbraw/zinc/13/74/68/634137468.db2.gz PJRLRIFCLUPKRL-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000905173804 637682870 /nfs/dbraw/zinc/68/28/70/637682870.db2.gz HPLLBDFOVYLHCL-QMMMGPOBSA-N 1 2 210.237 0.653 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000905173804 637682874 /nfs/dbraw/zinc/68/28/74/637682874.db2.gz HPLLBDFOVYLHCL-QMMMGPOBSA-N 1 2 210.237 0.653 20 5 BCBDLO C[C@@H]1OCC[C@]12C[N@H+](CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268763 639673049 /nfs/dbraw/zinc/67/30/49/639673049.db2.gz RDHRIMQMVKECOT-VWYCJHECSA-N 1 2 244.291 0.531 20 5 BCBDLO C[C@@H]1OCC[C@]12C[N@@H+](CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268763 639673052 /nfs/dbraw/zinc/67/30/52/639673052.db2.gz RDHRIMQMVKECOT-VWYCJHECSA-N 1 2 244.291 0.531 20 5 BCBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930602645 639817447 /nfs/dbraw/zinc/81/74/47/639817447.db2.gz BRCBSKNQPDKIPT-MRVPVSSYSA-N 1 2 231.252 0.036 20 5 BCBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930602645 639817448 /nfs/dbraw/zinc/81/74/48/639817448.db2.gz BRCBSKNQPDKIPT-MRVPVSSYSA-N 1 2 231.252 0.036 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000930819970 639922693 /nfs/dbraw/zinc/92/26/93/639922693.db2.gz IKWJEWLZNBVWHR-JTQLQIEISA-N 1 2 214.265 0.764 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000930819970 639922702 /nfs/dbraw/zinc/92/27/02/639922702.db2.gz IKWJEWLZNBVWHR-JTQLQIEISA-N 1 2 214.265 0.764 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933203818 640679964 /nfs/dbraw/zinc/67/99/64/640679964.db2.gz QEUCQBSJXRWRNM-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933203818 640679973 /nfs/dbraw/zinc/67/99/73/640679973.db2.gz QEUCQBSJXRWRNM-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000929269709 646047948 /nfs/dbraw/zinc/04/79/48/646047948.db2.gz LXCPVIKSLSEDDJ-DTWKUNHWSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000929269709 646047947 /nfs/dbraw/zinc/04/79/47/646047947.db2.gz LXCPVIKSLSEDDJ-DTWKUNHWSA-N 1 2 202.254 0.762 20 5 BCBDLO C[N@H+](CC[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000929329050 646082811 /nfs/dbraw/zinc/08/28/11/646082811.db2.gz YOVDTGNZRCZBKY-UHFFFAOYSA-N 1 2 237.259 0.494 20 5 BCBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000929329050 646082819 /nfs/dbraw/zinc/08/28/19/646082819.db2.gz YOVDTGNZRCZBKY-UHFFFAOYSA-N 1 2 237.259 0.494 20 5 BCBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](C)O1 ZINC000929620698 646208009 /nfs/dbraw/zinc/20/80/09/646208009.db2.gz VCGOOSLMKDOQHZ-DTWKUNHWSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](C)O1 ZINC000929620698 646208012 /nfs/dbraw/zinc/20/80/12/646208012.db2.gz VCGOOSLMKDOQHZ-DTWKUNHWSA-N 1 2 202.254 0.762 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000929798931 646323964 /nfs/dbraw/zinc/32/39/64/646323964.db2.gz KCBWMNAAXZTYKD-LURJTMIESA-N 1 2 228.170 0.262 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000929798931 646323968 /nfs/dbraw/zinc/32/39/68/646323968.db2.gz KCBWMNAAXZTYKD-LURJTMIESA-N 1 2 228.170 0.262 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000291055001 349690665 /nfs/dbraw/zinc/69/06/65/349690665.db2.gz FCKJUHXBKBDWTK-UHFFFAOYSA-N 1 2 236.235 0.674 20 5 BCBDLO Cn1cc(C[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])n1 ZINC000602713963 349705453 /nfs/dbraw/zinc/70/54/53/349705453.db2.gz DJQPXDVZLJRSKN-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cn1cc(C[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])n1 ZINC000602713963 349705454 /nfs/dbraw/zinc/70/54/54/349705454.db2.gz DJQPXDVZLJRSKN-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO O=[N+]([O-])c1cnc(N2CCn3cc[nH+]c3C2)nc1 ZINC000612779374 344924800 /nfs/dbraw/zinc/92/48/00/344924800.db2.gz NZTBMTRMKWBAIL-UHFFFAOYSA-N 1 2 246.230 0.602 20 5 BCBDLO Cc1nn(CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000272395909 180389251 /nfs/dbraw/zinc/38/92/51/180389251.db2.gz WBOUOVSXLNQYBL-UHFFFAOYSA-N 1 2 221.220 0.996 20 5 BCBDLO Nc1cc(Cn2cccc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000052733688 351145379 /nfs/dbraw/zinc/14/53/79/351145379.db2.gz GQPOYHOYFLOMGH-UHFFFAOYSA-N 1 2 246.226 0.782 20 5 BCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753309 356807383 /nfs/dbraw/zinc/80/73/83/356807383.db2.gz AYLFWDMRUUJFDN-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753309 356807385 /nfs/dbraw/zinc/80/73/85/356807385.db2.gz AYLFWDMRUUJFDN-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO C[NH2+]CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000582358588 357101464 /nfs/dbraw/zinc/10/14/64/357101464.db2.gz DULHXKPLHOGNGX-UHFFFAOYSA-N 1 2 239.231 0.848 20 5 BCBDLO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576037015 365458319 /nfs/dbraw/zinc/45/83/19/365458319.db2.gz GMOWHCXRYGINDG-NKWVEPMBSA-N 1 2 237.215 0.586 20 5 BCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCOCC1 ZINC000013283531 371031911 /nfs/dbraw/zinc/03/19/11/371031911.db2.gz SLWQEEUXJOYWHA-UHFFFAOYSA-N 1 2 240.263 0.432 20 5 BCBDLO CN(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)c[nH+]1 ZINC000600521603 371680345 /nfs/dbraw/zinc/68/03/45/371680345.db2.gz SFVRBKSFIJYBFC-UHFFFAOYSA-N 1 2 248.246 0.696 20 5 BCBDLO Cn1cc(C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])n1 ZINC000602613825 371826155 /nfs/dbraw/zinc/82/61/55/371826155.db2.gz QLOFTZGODKUUHL-UHFFFAOYSA-N 1 2 240.263 0.283 20 5 BCBDLO Cn1cc(C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])n1 ZINC000602613825 371826161 /nfs/dbraw/zinc/82/61/61/371826161.db2.gz QLOFTZGODKUUHL-UHFFFAOYSA-N 1 2 240.263 0.283 20 5 BCBDLO Cn1c[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000358190362 386842011 /nfs/dbraw/zinc/84/20/11/386842011.db2.gz BEUMOECLDDUQLW-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO CN(Cc1[nH+]ccn1C)c1ncc([N+](=O)[O-])cn1 ZINC000273605688 388617533 /nfs/dbraw/zinc/61/75/33/388617533.db2.gz KOBMDYMKKGMDLT-UHFFFAOYSA-N 1 2 248.246 0.755 20 5 BCBDLO C[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332690008 388793976 /nfs/dbraw/zinc/79/39/76/388793976.db2.gz QDZPGSZRFACOHG-MRVPVSSYSA-N 1 2 237.259 0.729 20 5 BCBDLO C[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332690008 388793978 /nfs/dbraw/zinc/79/39/78/388793978.db2.gz QDZPGSZRFACOHG-MRVPVSSYSA-N 1 2 237.259 0.729 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1(CO)CC1 ZINC000331501343 388775428 /nfs/dbraw/zinc/77/54/28/388775428.db2.gz OKEVKYPNVUWWBO-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1(CO)CC1 ZINC000331501343 388775432 /nfs/dbraw/zinc/77/54/32/388775432.db2.gz OKEVKYPNVUWWBO-UHFFFAOYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCSCC1 ZINC000408309598 134700200 /nfs/dbraw/zinc/70/02/00/134700200.db2.gz NZKQBTMKPLZBNC-UHFFFAOYSA-N 1 2 242.304 0.877 20 5 BCBDLO O=[N+]([O-])c1cnn(CCn2cc[nH+]c2)c1 ZINC000078387091 135123174 /nfs/dbraw/zinc/12/31/74/135123174.db2.gz YOECWRDWXNCFPH-UHFFFAOYSA-N 1 2 207.193 0.688 20 5 BCBDLO Cn1c[nH+]cc1Cn1cccc([N+](=O)[O-])c1=O ZINC000360723697 398109474 /nfs/dbraw/zinc/10/94/74/398109474.db2.gz VVAHWGJCJRRHDI-UHFFFAOYSA-N 1 2 234.215 0.538 20 5 BCBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000360736992 398113431 /nfs/dbraw/zinc/11/34/31/398113431.db2.gz LKYWTVCMRSWJBL-UHFFFAOYSA-N 1 2 234.215 0.538 20 5 BCBDLO CN(Cc1[nH]cc[nH+]1)c1c([N+](=O)[O-])cnn1C ZINC000892560479 582914425 /nfs/dbraw/zinc/91/44/25/582914425.db2.gz WNMWMXRLCYSRPV-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO CCOC(=O)[C@H](C)C1C[NH+](CC[N+](=O)[O-])C1 ZINC000899894319 584248042 /nfs/dbraw/zinc/24/80/42/584248042.db2.gz XGPWQYXTMLVUKM-MRVPVSSYSA-N 1 2 230.264 0.394 20 5 BCBDLO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000902636795 584648490 /nfs/dbraw/zinc/64/84/90/584648490.db2.gz GERHWGAVPDTZJM-UWVGGRQHSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000902636795 584648492 /nfs/dbraw/zinc/64/84/92/584648492.db2.gz GERHWGAVPDTZJM-UWVGGRQHSA-N 1 2 240.263 0.858 20 5 BCBDLO O=[N+]([O-])c1ccnn1CC[NH+]1CCOCC1 ZINC000731938190 584932061 /nfs/dbraw/zinc/93/20/61/584932061.db2.gz BMMSHINAODMBPB-UHFFFAOYSA-N 1 2 226.236 0.124 20 5 BCBDLO COC[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000751948937 585239452 /nfs/dbraw/zinc/23/94/52/585239452.db2.gz HOPCCSQEOKSGQO-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO COC[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000751948937 585239453 /nfs/dbraw/zinc/23/94/53/585239453.db2.gz HOPCCSQEOKSGQO-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865144 585768857 /nfs/dbraw/zinc/76/88/57/585768857.db2.gz MUXAGYRXSKZAAF-VIFPVBQESA-N 1 2 240.263 0.778 20 5 BCBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865144 585768858 /nfs/dbraw/zinc/76/88/58/585768858.db2.gz MUXAGYRXSKZAAF-VIFPVBQESA-N 1 2 240.263 0.778 20 5 BCBDLO Cc1nn(C[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000779859334 585769227 /nfs/dbraw/zinc/76/92/27/585769227.db2.gz KITVUDKQDQOZHO-UHFFFAOYSA-N 1 2 240.263 0.780 20 5 BCBDLO Cc1nn(C[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000779859334 585769228 /nfs/dbraw/zinc/76/92/28/585769228.db2.gz KITVUDKQDQOZHO-UHFFFAOYSA-N 1 2 240.263 0.780 20 5 BCBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791054228 585972990 /nfs/dbraw/zinc/97/29/90/585972990.db2.gz YTWZFKMUYGKUQH-VIFPVBQESA-N 1 2 227.264 0.006 20 5 BCBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791054228 585972991 /nfs/dbraw/zinc/97/29/91/585972991.db2.gz YTWZFKMUYGKUQH-VIFPVBQESA-N 1 2 227.264 0.006 20 5 BCBDLO CO[C@@H](C)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000795747324 586091687 /nfs/dbraw/zinc/09/16/87/586091687.db2.gz JTVQLZCDVNHPMF-QMMMGPOBSA-N 1 2 228.252 0.716 20 5 BCBDLO CO[C@@H](C)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000795747324 586091688 /nfs/dbraw/zinc/09/16/88/586091688.db2.gz JTVQLZCDVNHPMF-QMMMGPOBSA-N 1 2 228.252 0.716 20 5 BCBDLO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000812295870 586572713 /nfs/dbraw/zinc/57/27/13/586572713.db2.gz KPHAWJNNNPUTIB-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000812295870 586572714 /nfs/dbraw/zinc/57/27/14/586572714.db2.gz KPHAWJNNNPUTIB-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO Cn1cc(C[N@@H+]2CC=C[C@H]2CO)c([N+](=O)[O-])n1 ZINC000880493566 591072277 /nfs/dbraw/zinc/07/22/77/591072277.db2.gz CURZGJVPOZMWRX-VIFPVBQESA-N 1 2 238.247 0.061 20 5 BCBDLO Cn1cc(C[N@H+]2CC=C[C@H]2CO)c([N+](=O)[O-])n1 ZINC000880493566 591072279 /nfs/dbraw/zinc/07/22/79/591072279.db2.gz CURZGJVPOZMWRX-VIFPVBQESA-N 1 2 238.247 0.061 20 5 BCBDLO Cn1c[nH+]cc1CNc1c([N+](=O)[O-])cnn1C ZINC000893898849 635634213 /nfs/dbraw/zinc/63/42/13/635634213.db2.gz QBUVFQBILUPRBU-UHFFFAOYSA-N 1 2 236.235 0.674 20 5 BCBDLO CCn1ccnc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905278912 637734383 /nfs/dbraw/zinc/73/43/83/637734383.db2.gz JYFVQHPUBNNUIL-QMMMGPOBSA-N 1 2 212.253 0.830 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000930268477 639665028 /nfs/dbraw/zinc/66/50/28/639665028.db2.gz BMROWCMKGIOTSC-WPRPVWTQSA-N 1 2 214.265 0.762 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000930268477 639665036 /nfs/dbraw/zinc/66/50/36/639665036.db2.gz BMROWCMKGIOTSC-WPRPVWTQSA-N 1 2 214.265 0.762 20 5 BCBDLO Cn1cc[nH+]c1Cn1ccnc1[N+](=O)[O-] ZINC000918359995 642188656 /nfs/dbraw/zinc/18/86/56/642188656.db2.gz OSONJUIEAMTHBF-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO CC[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](C)O1 ZINC000929620699 646206550 /nfs/dbraw/zinc/20/65/50/646206550.db2.gz VCGOOSLMKDOQHZ-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](C)O1 ZINC000929620699 646206552 /nfs/dbraw/zinc/20/65/52/646206552.db2.gz VCGOOSLMKDOQHZ-IUCAKERBSA-N 1 2 202.254 0.762 20 5 BCBDLO CCCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030293500 711830435 /nfs/dbraw/zinc/83/04/35/711830435.db2.gz MSDNPXNXHYHCRG-NXEZZACHSA-N 1 2 241.291 0.252 20 5 BCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000380203552 343692597 /nfs/dbraw/zinc/69/25/97/343692597.db2.gz IKAIIKKOTYXLPO-UHFFFAOYSA-N 1 2 249.230 0.884 20 5 BCBDLO Cc1nn(Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000593422090 347894637 /nfs/dbraw/zinc/89/46/37/347894637.db2.gz BPQWXLNUIAGDMC-UHFFFAOYSA-N 1 2 221.220 0.882 20 5 BCBDLO Cc1noc(C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000595304496 348221330 /nfs/dbraw/zinc/22/13/30/348221330.db2.gz UJPKMRRQTNFPEB-ZETCQYMHSA-N 1 2 227.220 0.458 20 5 BCBDLO Cc1noc(C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000595304496 348221332 /nfs/dbraw/zinc/22/13/32/348221332.db2.gz UJPKMRRQTNFPEB-ZETCQYMHSA-N 1 2 227.220 0.458 20 5 BCBDLO Cc1noc(C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000595286034 348212419 /nfs/dbraw/zinc/21/24/19/348212419.db2.gz BBIKZWLMFSFVAO-UHFFFAOYSA-N 1 2 241.247 0.848 20 5 BCBDLO CN(Cc1c[nH+]c[nH]1)c1c([N+](=O)[O-])ncn1C ZINC000596305393 348491831 /nfs/dbraw/zinc/49/18/31/348491831.db2.gz IYAFCBYUVCEBQF-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO CN(Cc1c[nH]c[nH+]1)c1c([N+](=O)[O-])ncn1C ZINC000596305393 348491833 /nfs/dbraw/zinc/49/18/33/348491833.db2.gz IYAFCBYUVCEBQF-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000343297526 350957392 /nfs/dbraw/zinc/95/73/92/350957392.db2.gz NJGAEUDVDYLRLW-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO Nc1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000052732870 351145547 /nfs/dbraw/zinc/14/55/47/351145547.db2.gz SGKAHISEMXDOQI-UHFFFAOYSA-N 1 2 246.226 0.782 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCCO ZINC000349918217 355526470 /nfs/dbraw/zinc/52/64/70/355526470.db2.gz CMBKCZSHNFBUPT-UHFFFAOYSA-N 1 2 242.279 0.533 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCCO ZINC000349918217 355526471 /nfs/dbraw/zinc/52/64/71/355526471.db2.gz CMBKCZSHNFBUPT-UHFFFAOYSA-N 1 2 242.279 0.533 20 5 BCBDLO C[C@@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235122358 384201181 /nfs/dbraw/zinc/20/11/81/384201181.db2.gz KWIITRKFLGCLSB-LURJTMIESA-N 1 2 239.231 0.834 20 5 BCBDLO CO[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000361371304 384430261 /nfs/dbraw/zinc/43/02/61/384430261.db2.gz GDIJWAGXUOIUMQ-QMMMGPOBSA-N 1 2 240.263 0.549 20 5 BCBDLO CO[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000361371304 384430267 /nfs/dbraw/zinc/43/02/67/384430267.db2.gz GDIJWAGXUOIUMQ-QMMMGPOBSA-N 1 2 240.263 0.549 20 5 BCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC000368638333 388683033 /nfs/dbraw/zinc/68/30/33/388683033.db2.gz NIEUHQVCRXWJGL-DTWKUNHWSA-N 1 2 238.247 0.264 20 5 BCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC000368638333 388683036 /nfs/dbraw/zinc/68/30/36/388683036.db2.gz 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ZINC000779860543 585769148 /nfs/dbraw/zinc/76/91/48/585769148.db2.gz APJNELVBYKYERI-SECBINFHSA-N 1 2 240.263 0.778 20 5 BCBDLO Cc1nn(C[N@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000779860543 585769149 /nfs/dbraw/zinc/76/91/49/585769149.db2.gz APJNELVBYKYERI-SECBINFHSA-N 1 2 240.263 0.778 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC2(CCC2)C1 ZINC000787731093 585914932 /nfs/dbraw/zinc/91/49/32/585914932.db2.gz QYAXPUKLZVQBCP-UHFFFAOYSA-N 1 2 200.238 0.518 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC2(CCC2)C1 ZINC000787731093 585914933 /nfs/dbraw/zinc/91/49/33/585914933.db2.gz QYAXPUKLZVQBCP-UHFFFAOYSA-N 1 2 200.238 0.518 20 5 BCBDLO Cc1nnc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000791053269 585973131 /nfs/dbraw/zinc/97/31/31/585973131.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nnc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000791053269 585973132 /nfs/dbraw/zinc/97/31/32/585973132.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053269 585973133 /nfs/dbraw/zinc/97/31/33/585973133.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053269 585973134 /nfs/dbraw/zinc/97/31/34/585973134.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000791053269 585973135 /nfs/dbraw/zinc/97/31/35/585973135.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000791053269 585973136 /nfs/dbraw/zinc/97/31/36/585973136.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 1 2 239.279 0.569 20 5 BCBDLO CC[N@H+](CC[N+](=O)[O-])Cc1cnn(C)c1 ZINC000791055795 585973711 /nfs/dbraw/zinc/97/37/11/585973711.db2.gz YFJPATBYCRJTCV-UHFFFAOYSA-N 1 2 212.253 0.519 20 5 BCBDLO CC[N@@H+](CC[N+](=O)[O-])Cc1cnn(C)c1 ZINC000791055795 585973712 /nfs/dbraw/zinc/97/37/12/585973712.db2.gz YFJPATBYCRJTCV-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/15/38/77/344153877.db2.gz XWQFITTYJKCOOA-UHFFFAOYSA-N 1 2 247.214 0.643 20 5 BCBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cn1 ZINC000610773391 344153880 /nfs/dbraw/zinc/15/38/80/344153880.db2.gz XWQFITTYJKCOOA-UHFFFAOYSA-N 1 2 247.214 0.643 20 5 BCBDLO Cc1noc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1[N+](=O)[O-] ZINC000603086081 344432396 /nfs/dbraw/zinc/43/23/96/344432396.db2.gz IVKUTIUFGWZRKA-XVKPBYJWSA-N 1 2 239.231 0.458 20 5 BCBDLO Cc1noc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1[N+](=O)[O-] ZINC000603086081 344432398 /nfs/dbraw/zinc/43/23/98/344432398.db2.gz IVKUTIUFGWZRKA-XVKPBYJWSA-N 1 2 239.231 0.458 20 5 BCBDLO Cc1[nH+]cccc1Cn1cnc([N+](=O)[O-])n1 ZINC000589255450 346678324 /nfs/dbraw/zinc/67/83/24/346678324.db2.gz AMCVBEBAXBVLDF-UHFFFAOYSA-N 1 2 219.204 0.938 20 5 BCBDLO CO[C@@H](C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000353228545 187373431 /nfs/dbraw/zinc/37/34/31/187373431.db2.gz JBVHYZNIXZDBJV-QMMMGPOBSA-N 1 2 242.279 0.795 20 5 BCBDLO CO[C@@H](C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000353228545 187373432 /nfs/dbraw/zinc/37/34/32/187373432.db2.gz JBVHYZNIXZDBJV-QMMMGPOBSA-N 1 2 242.279 0.795 20 5 BCBDLO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592334089 347768456 /nfs/dbraw/zinc/76/84/56/347768456.db2.gz XZHGFBRHQTWDCU-LURJTMIESA-N 1 2 239.231 0.377 20 5 BCBDLO O=c1[nH]ccc(N2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000596230383 348472149 /nfs/dbraw/zinc/47/21/49/348472149.db2.gz ANPNBMQUHSQEDK-UHFFFAOYSA-N 1 2 224.220 0.800 20 5 BCBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343289811 350956487 /nfs/dbraw/zinc/95/64/87/350956487.db2.gz UYDLWYQVNARIOQ-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[NH2+]1 ZINC000384837376 356772284 /nfs/dbraw/zinc/77/22/84/356772284.db2.gz QDMXYAZEZMQXKY-SSDOTTSWSA-N 1 2 237.215 0.601 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1Cn1cc[nH+]c1 ZINC000346618712 357118295 /nfs/dbraw/zinc/11/82/95/357118295.db2.gz KNJMBFOEVOHHHF-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000236193378 181329747 /nfs/dbraw/zinc/32/97/47/181329747.db2.gz WOACQXZQAZMIJK-UHFFFAOYSA-N 1 2 237.215 0.730 20 5 BCBDLO Cn1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])n1 ZINC000602437748 371803795 /nfs/dbraw/zinc/80/37/95/371803795.db2.gz KPHZKOAMUIVEOQ-UHFFFAOYSA-N 1 2 242.304 0.877 20 5 BCBDLO Cn1c[nH+]c(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000603313950 371882675 /nfs/dbraw/zinc/88/26/75/371882675.db2.gz IJKQPRJIDIYDHQ-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO Cc1ccc(C[N@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000271056625 388371159 /nfs/dbraw/zinc/37/11/59/388371159.db2.gz UGXBRXGNHNAYSZ-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO Cc1ccc(C[N@@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000271056625 388371162 /nfs/dbraw/zinc/37/11/62/388371162.db2.gz UGXBRXGNHNAYSZ-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO O=[N+]([O-])c1ncn(CCCn2cc[nH+]c2)n1 ZINC000354317827 388379037 /nfs/dbraw/zinc/37/90/37/388379037.db2.gz SSGVUOXGNCOCNF-UHFFFAOYSA-N 1 2 222.208 0.473 20 5 BCBDLO C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000340423679 173073547 /nfs/dbraw/zinc/07/35/47/173073547.db2.gz LWLWUEAOPSDMRL-UHFFFAOYSA-N 1 2 238.247 0.311 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1N1CC(n2cc[nH+]c2)C1 ZINC000531578075 323109692 /nfs/dbraw/zinc/10/96/92/323109692.db2.gz GCNLMFPAEWUMOH-UHFFFAOYSA-N 1 2 248.246 0.586 20 5 BCBDLO CCO[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000902528918 584632794 /nfs/dbraw/zinc/63/27/94/584632794.db2.gz STCBQMQAWGYKAY-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO CCO[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000902528918 584632795 /nfs/dbraw/zinc/63/27/95/584632795.db2.gz STCBQMQAWGYKAY-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CNOC2)c(F)c1 ZINC000904424085 584881234 /nfs/dbraw/zinc/88/12/34/584881234.db2.gz DJQHCMSPCJJLPG-MRVPVSSYSA-N 1 2 241.222 0.727 20 5 BCBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842347601 584892553 /nfs/dbraw/zinc/89/25/53/584892553.db2.gz QQJWNFZSSUCJEG-DJLDLDEBSA-N 1 2 246.238 0.239 20 5 BCBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842347601 584892554 /nfs/dbraw/zinc/89/25/54/584892554.db2.gz QQJWNFZSSUCJEG-DJLDLDEBSA-N 1 2 246.238 0.239 20 5 BCBDLO Cc1noc(C2CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC000791052327 585972632 /nfs/dbraw/zinc/97/26/32/585972632.db2.gz MCTFFXDOROSFOT-UHFFFAOYSA-N 1 2 240.263 0.834 20 5 BCBDLO COC[C@@H]1CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840082678 586422689 /nfs/dbraw/zinc/42/26/89/586422689.db2.gz FSEYLQGXYHQBLD-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO COC[C@@H]1CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840082678 586422692 /nfs/dbraw/zinc/42/26/92/586422692.db2.gz FSEYLQGXYHQBLD-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000106858105 588313140 /nfs/dbraw/zinc/31/31/40/588313140.db2.gz LIOCJBGOQSRBFU-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000106858105 588313141 /nfs/dbraw/zinc/31/31/41/588313141.db2.gz LIOCJBGOQSRBFU-QMMMGPOBSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000106858104 588313347 /nfs/dbraw/zinc/31/33/47/588313347.db2.gz LIOCJBGOQSRBFU-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000106858104 588313349 /nfs/dbraw/zinc/31/33/49/588313349.db2.gz LIOCJBGOQSRBFU-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO COCCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000126957460 636125493 /nfs/dbraw/zinc/12/54/93/636125493.db2.gz RHJHUXNEMUNROU-UHFFFAOYSA-N 1 2 228.252 0.717 20 5 BCBDLO COCCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000126957460 636125496 /nfs/dbraw/zinc/12/54/96/636125496.db2.gz RHJHUXNEMUNROU-UHFFFAOYSA-N 1 2 228.252 0.717 20 5 BCBDLO O=[N+]([O-])CC[NH2+]Cc1cn2ccsc2n1 ZINC000905041368 637558709 /nfs/dbraw/zinc/55/87/09/637558709.db2.gz SRRUVEJNHHOOCI-UHFFFAOYSA-N 1 2 226.261 0.762 20 5 BCBDLO Cc1csc(C[NH2+]CC[N+](=O)[O-])n1 ZINC000905039899 637559011 /nfs/dbraw/zinc/55/90/11/637559011.db2.gz IBMJWOBWECZPEU-UHFFFAOYSA-N 1 2 201.251 0.818 20 5 BCBDLO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])c2nccn21 ZINC000905281330 637735873 /nfs/dbraw/zinc/73/58/73/637735873.db2.gz UBLRJJXWOMHVMF-JGVFFNPUSA-N 1 2 210.237 0.755 20 5 BCBDLO C[C@H]1OCC[C@@]12C[N@H+](CC[N+](=O)[O-])CCO2 ZINC000930276628 639678414 /nfs/dbraw/zinc/67/84/14/639678414.db2.gz RLQMGSIMUNJYCW-NXEZZACHSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1OCC[C@@]12C[N@@H+](CC[N+](=O)[O-])CCO2 ZINC000930276628 639678415 /nfs/dbraw/zinc/67/84/15/639678415.db2.gz RLQMGSIMUNJYCW-NXEZZACHSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@]1(C2CC2)C[N@H+](CC[N+](=O)[O-])CCO1 ZINC000930922443 639990200 /nfs/dbraw/zinc/99/02/00/639990200.db2.gz GETSQNOPGVMZCN-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO C[C@]1(C2CC2)C[N@@H+](CC[N+](=O)[O-])CCO1 ZINC000930922443 639990201 /nfs/dbraw/zinc/99/02/01/639990201.db2.gz GETSQNOPGVMZCN-SNVBAGLBSA-N 1 2 214.265 0.764 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000931067918 640056379 /nfs/dbraw/zinc/05/63/79/640056379.db2.gz SQXZUMVXHLSNEX-SNVBAGLBSA-N 1 2 246.213 0.865 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000931753564 640351029 /nfs/dbraw/zinc/35/10/29/640351029.db2.gz RMKDDCUBDXPTIO-SSDOTTSWSA-N 1 2 242.197 0.510 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000931753564 640351033 /nfs/dbraw/zinc/35/10/33/640351033.db2.gz RMKDDCUBDXPTIO-SSDOTTSWSA-N 1 2 242.197 0.510 20 5 BCBDLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932435402 640526143 /nfs/dbraw/zinc/52/61/43/640526143.db2.gz VAXYQWJHGLUMEU-SECBINFHSA-N 1 2 243.307 0.642 20 5 BCBDLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932435402 640526146 /nfs/dbraw/zinc/52/61/46/640526146.db2.gz VAXYQWJHGLUMEU-SECBINFHSA-N 1 2 243.307 0.642 20 5 BCBDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932435403 640527428 /nfs/dbraw/zinc/52/74/28/640527428.db2.gz VAXYQWJHGLUMEU-VIFPVBQESA-N 1 2 243.307 0.642 20 5 BCBDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932435403 640527438 /nfs/dbraw/zinc/52/74/38/640527438.db2.gz VAXYQWJHGLUMEU-VIFPVBQESA-N 1 2 243.307 0.642 20 5 BCBDLO O=[N+]([O-])c1nccn1CCn1cc[nH+]c1 ZINC000918368442 642189570 /nfs/dbraw/zinc/18/95/70/642189570.db2.gz JPOLONTYVSSMTL-UHFFFAOYSA-N 1 2 207.193 0.688 20 5 BCBDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(C)[nH+]1 ZINC000817459052 644983111 /nfs/dbraw/zinc/98/31/11/644983111.db2.gz QKDVUKGBFIFGQP-GHMZBOCLSA-N 1 2 249.270 0.980 20 5 BCBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929360621 646095296 /nfs/dbraw/zinc/09/52/96/646095296.db2.gz QQEPERNCCVYCOC-JTQLQIEISA-N 1 2 243.307 0.596 20 5 BCBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929360621 646095300 /nfs/dbraw/zinc/09/53/00/646095300.db2.gz QQEPERNCCVYCOC-JTQLQIEISA-N 1 2 243.307 0.596 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000929507101 646159736 /nfs/dbraw/zinc/15/97/36/646159736.db2.gz ZONRHLINBRZYTP-SECBINFHSA-N 1 2 230.264 0.491 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000929507101 646159739 /nfs/dbraw/zinc/15/97/39/646159739.db2.gz ZONRHLINBRZYTP-SECBINFHSA-N 1 2 230.264 0.491 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000929842260 646354620 /nfs/dbraw/zinc/35/46/20/646354620.db2.gz BPOJDNQGVMXSDP-UHFFFAOYSA-N 1 2 214.265 0.908 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC2(CCCC2)C1 ZINC000929842260 646354624 /nfs/dbraw/zinc/35/46/24/646354624.db2.gz BPOJDNQGVMXSDP-UHFFFAOYSA-N 1 2 214.265 0.908 20 5 BCBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC[N+](=O)[O-])[C@H]2C1 ZINC000930091766 646430330 /nfs/dbraw/zinc/43/03/30/646430330.db2.gz ZKGDFZGXJASXBQ-OUAUKWLOSA-N 1 2 244.291 0.531 20 5 BCBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC[N+](=O)[O-])[C@H]2C1 ZINC000930091766 646430333 /nfs/dbraw/zinc/43/03/33/646430333.db2.gz ZKGDFZGXJASXBQ-OUAUKWLOSA-N 1 2 244.291 0.531 20 5 BCBDLO CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042711583 710797766 /nfs/dbraw/zinc/79/77/66/710797766.db2.gz XVNSHUCDFHHRBD-NXEZZACHSA-N 1 2 241.291 0.203 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933673208 711545554 /nfs/dbraw/zinc/54/55/54/711545554.db2.gz FPBVBGRPVILQSB-GHMZBOCLSA-N 1 2 244.291 0.391 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933673208 711545557 /nfs/dbraw/zinc/54/55/57/711545557.db2.gz FPBVBGRPVILQSB-GHMZBOCLSA-N 1 2 244.291 0.391 20 5 BCBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000041980037 342830204 /nfs/dbraw/zinc/83/02/04/342830204.db2.gz DPNISRNXCXOJDE-UHFFFAOYSA-N 1 2 249.230 0.549 20 5 BCBDLO CC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000144353473 362021731 /nfs/dbraw/zinc/02/17/31/362021731.db2.gz BCJNTVDFSYKCFB-SSDOTTSWSA-N 1 2 239.231 0.976 20 5 BCBDLO Cc1noc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1[N+](=O)[O-] ZINC000603086078 344432751 /nfs/dbraw/zinc/43/27/51/344432751.db2.gz IVKUTIUFGWZRKA-GMSGAONNSA-N 1 2 239.231 0.458 20 5 BCBDLO Cc1noc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1[N+](=O)[O-] ZINC000603086078 344432755 /nfs/dbraw/zinc/43/27/55/344432755.db2.gz IVKUTIUFGWZRKA-GMSGAONNSA-N 1 2 239.231 0.458 20 5 BCBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000135488883 344473541 /nfs/dbraw/zinc/47/35/41/344473541.db2.gz QSFCDCDKRGKMFG-UHFFFAOYSA-N 1 2 249.230 0.619 20 5 BCBDLO Cc1noc(C[N@@H+]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000595290429 348213598 /nfs/dbraw/zinc/21/35/98/348213598.db2.gz BOVGLGKMRHILNJ-QMMMGPOBSA-N 1 2 241.247 0.848 20 5 BCBDLO Cc1noc(C[N@H+]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000595290429 348213600 /nfs/dbraw/zinc/21/36/00/348213600.db2.gz BOVGLGKMRHILNJ-QMMMGPOBSA-N 1 2 241.247 0.848 20 5 BCBDLO Cc1noc(C[N@@H+](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595324807 348226767 /nfs/dbraw/zinc/22/67/67/348226767.db2.gz GTUIXINDNAABAH-ZCFIWIBFSA-N 1 2 229.236 0.704 20 5 BCBDLO Cc1noc(C[N@H+](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595324807 348226769 /nfs/dbraw/zinc/22/67/69/348226769.db2.gz GTUIXINDNAABAH-ZCFIWIBFSA-N 1 2 229.236 0.704 20 5 BCBDLO C[NH2+][C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595932811 348393644 /nfs/dbraw/zinc/39/36/44/348393644.db2.gz ROFSFCAZBHFAHY-LURJTMIESA-N 1 2 239.231 0.847 20 5 BCBDLO C[C@H](C(N)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347051 357036857 /nfs/dbraw/zinc/03/68/57/357036857.db2.gz FPVMANXGLNITFT-MRVPVSSYSA-N 1 2 237.259 0.900 20 5 BCBDLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347051 357036859 /nfs/dbraw/zinc/03/68/59/357036859.db2.gz FPVMANXGLNITFT-MRVPVSSYSA-N 1 2 237.259 0.900 20 5 BCBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174813979 134283545 /nfs/dbraw/zinc/28/35/45/134283545.db2.gz WZOJCGIYFAQIJX-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174813979 134283546 /nfs/dbraw/zinc/28/35/46/134283546.db2.gz WZOJCGIYFAQIJX-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO Cc1c(C[N@H+](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000047496194 368463171 /nfs/dbraw/zinc/46/31/71/368463171.db2.gz YBSBYYJBGOHVLE-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO Cc1c(C[N@@H+](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000047496194 368463172 /nfs/dbraw/zinc/46/31/72/368463172.db2.gz YBSBYYJBGOHVLE-UHFFFAOYSA-N 1 2 237.259 0.820 20 5 BCBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn(C)c[nH+]1 ZINC000603314155 371882598 /nfs/dbraw/zinc/88/25/98/371882598.db2.gz NRHLWLPBUYYTIL-UHFFFAOYSA-N 1 2 221.220 0.882 20 5 BCBDLO O=c1c([N+](=O)[O-])cccn1CCn1cc[nH+]c1 ZINC000121906277 387292695 /nfs/dbraw/zinc/29/26/95/387292695.db2.gz VOKGEXXRMQFABA-UHFFFAOYSA-N 1 2 234.215 0.653 20 5 BCBDLO Nc1nc(-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000301178995 388652531 /nfs/dbraw/zinc/65/25/31/388652531.db2.gz YHHLIFSBHHLXGW-UHFFFAOYSA-N 1 2 206.165 0.153 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CC(O)C1 ZINC000331796652 388779763 /nfs/dbraw/zinc/77/97/63/388779763.db2.gz QZAMHVXXOMAUOT-UHFFFAOYSA-N 1 2 240.263 0.283 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CC(O)C1 ZINC000331796652 388779766 /nfs/dbraw/zinc/77/97/66/388779766.db2.gz QZAMHVXXOMAUOT-UHFFFAOYSA-N 1 2 240.263 0.283 20 5 BCBDLO COc1cc[nH+]c(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000106588341 175361725 /nfs/dbraw/zinc/36/17/25/175361725.db2.gz CLGMBKJFMNQOCY-UHFFFAOYSA-N 1 2 235.203 0.638 20 5 BCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368329869 487952693 /nfs/dbraw/zinc/95/26/93/487952693.db2.gz LBVRXQOTDRAJGL-VHSXEESVSA-N 1 2 238.247 0.264 20 5 BCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368329869 487952700 /nfs/dbraw/zinc/95/27/00/487952700.db2.gz LBVRXQOTDRAJGL-VHSXEESVSA-N 1 2 238.247 0.264 20 5 BCBDLO Cn1cc[nH+]c1Cn1cnc([N+](=O)[O-])c1 ZINC000505881779 534791472 /nfs/dbraw/zinc/79/14/72/534791472.db2.gz SBBXBKYNYIYBRW-UHFFFAOYSA-N 1 2 207.193 0.573 20 5 BCBDLO COC(=O)C[N@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000791052927 583384561 /nfs/dbraw/zinc/38/45/61/583384561.db2.gz PQMRDPLVTLEMBQ-UHFFFAOYSA-N 1 2 230.264 0.681 20 5 BCBDLO COC(=O)C[N@@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000791052927 583384562 /nfs/dbraw/zinc/38/45/62/583384562.db2.gz PQMRDPLVTLEMBQ-UHFFFAOYSA-N 1 2 230.264 0.681 20 5 BCBDLO Cc1nn(C[N@@H+]2CC[C@H]2CO)c(C)c1[N+](=O)[O-] ZINC000902630161 584646557 /nfs/dbraw/zinc/64/65/57/584646557.db2.gz NMAFFGWIDUEXJN-VIFPVBQESA-N 1 2 240.263 0.432 20 5 BCBDLO Cc1nn(C[N@H+]2CC[C@H]2CO)c(C)c1[N+](=O)[O-] ZINC000902630161 584646559 /nfs/dbraw/zinc/64/65/59/584646559.db2.gz NMAFFGWIDUEXJN-VIFPVBQESA-N 1 2 240.263 0.432 20 5 BCBDLO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000902635722 584648591 /nfs/dbraw/zinc/64/85/91/584648591.db2.gz BHUGOFRGVHPFFS-RKDXNWHRSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000902635722 584648592 /nfs/dbraw/zinc/64/85/92/584648592.db2.gz BHUGOFRGVHPFFS-RKDXNWHRSA-N 1 2 240.263 0.858 20 5 BCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CNOC2)c(F)c1 ZINC000904425238 584880695 /nfs/dbraw/zinc/88/06/95/584880695.db2.gz DJQHCMSPCJJLPG-QMMMGPOBSA-N 1 2 241.222 0.727 20 5 BCBDLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679095 585337153 /nfs/dbraw/zinc/33/71/53/585337153.db2.gz FZJLJVVXVRMXTL-RKDXNWHRSA-N 1 2 246.226 0.938 20 5 BCBDLO O=C1C[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000791052391 585972884 /nfs/dbraw/zinc/97/28/84/585972884.db2.gz MTTLDAYHRRLWSE-IUCAKERBSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C1C[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000791052391 585972885 /nfs/dbraw/zinc/97/28/85/585972885.db2.gz MTTLDAYHRRLWSE-IUCAKERBSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791054225 585973000 /nfs/dbraw/zinc/97/30/00/585973000.db2.gz YTWZFKMUYGKUQH-SECBINFHSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791054225 585973001 /nfs/dbraw/zinc/97/30/01/585973001.db2.gz YTWZFKMUYGKUQH-SECBINFHSA-N 1 2 227.264 0.006 20 5 BCBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106858110 588313245 /nfs/dbraw/zinc/31/32/45/588313245.db2.gz MERSNWXFILKJHT-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106858110 588313247 /nfs/dbraw/zinc/31/32/47/588313247.db2.gz MERSNWXFILKJHT-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO Cc1noc(C[N@@H+]2CC=C[C@H]2CO)c1[N+](=O)[O-] ZINC000880494631 591073937 /nfs/dbraw/zinc/07/39/37/591073937.db2.gz PWUIEWFVIDUZOA-QMMMGPOBSA-N 1 2 239.231 0.624 20 5 BCBDLO Cc1noc(C[N@H+]2CC=C[C@H]2CO)c1[N+](=O)[O-] ZINC000880494631 591073941 /nfs/dbraw/zinc/07/39/41/591073941.db2.gz PWUIEWFVIDUZOA-QMMMGPOBSA-N 1 2 239.231 0.624 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000930251885 639660609 /nfs/dbraw/zinc/66/06/09/639660609.db2.gz NNHRNCXFZIXZMM-HLTSFMKQSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000930251885 639660614 /nfs/dbraw/zinc/66/06/14/639660614.db2.gz NNHRNCXFZIXZMM-HLTSFMKQSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294123 639683439 /nfs/dbraw/zinc/68/34/39/639683439.db2.gz IEBIHBJHHDTJNQ-ZJUUUORDSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294123 639683445 /nfs/dbraw/zinc/68/34/45/639683445.db2.gz IEBIHBJHHDTJNQ-ZJUUUORDSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C2(CCC2)CO1 ZINC000930857228 639951440 /nfs/dbraw/zinc/95/14/40/639951440.db2.gz UMVYTUJONMSHPI-VIFPVBQESA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C2(CCC2)CO1 ZINC000930857228 639951444 /nfs/dbraw/zinc/95/14/44/639951444.db2.gz UMVYTUJONMSHPI-VIFPVBQESA-N 1 2 214.265 0.907 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000931753565 640349530 /nfs/dbraw/zinc/34/95/30/640349530.db2.gz RMKDDCUBDXPTIO-ZETCQYMHSA-N 1 2 242.197 0.510 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000931753565 640349535 /nfs/dbraw/zinc/34/95/35/640349535.db2.gz RMKDDCUBDXPTIO-ZETCQYMHSA-N 1 2 242.197 0.510 20 5 BCBDLO C[N@H+](CC[N+](=O)[O-])Cc1cccc(=O)[nH]1 ZINC000933408990 640716307 /nfs/dbraw/zinc/71/63/07/640716307.db2.gz YIHLFVHPRYNACH-UHFFFAOYSA-N 1 2 211.221 0.496 20 5 BCBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cccc(=O)[nH]1 ZINC000933408990 640716314 /nfs/dbraw/zinc/71/63/14/640716314.db2.gz YIHLFVHPRYNACH-UHFFFAOYSA-N 1 2 211.221 0.496 20 5 BCBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000929269712 646049071 /nfs/dbraw/zinc/04/90/71/646049071.db2.gz LXCPVIKSLSEDDJ-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000929269712 646049076 /nfs/dbraw/zinc/04/90/76/646049076.db2.gz LXCPVIKSLSEDDJ-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO CCCNC(=O)C[N@H+](CCC)CC[N+](=O)[O-] ZINC000929294889 646067367 /nfs/dbraw/zinc/06/73/67/646067367.db2.gz ZEIUVZZRKWTWBB-UHFFFAOYSA-N 1 2 231.296 0.501 20 5 BCBDLO CCCNC(=O)C[N@@H+](CCC)CC[N+](=O)[O-] ZINC000929294889 646067379 /nfs/dbraw/zinc/06/73/79/646067379.db2.gz ZEIUVZZRKWTWBB-UHFFFAOYSA-N 1 2 231.296 0.501 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000929798932 646324469 /nfs/dbraw/zinc/32/44/69/646324469.db2.gz KCBWMNAAXZTYKD-ZCFIWIBFSA-N 1 2 228.170 0.262 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000929798932 646324476 /nfs/dbraw/zinc/32/44/76/646324476.db2.gz KCBWMNAAXZTYKD-ZCFIWIBFSA-N 1 2 228.170 0.262 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000929852363 646361375 /nfs/dbraw/zinc/36/13/75/646361375.db2.gz OCPQJDQCGJPAGV-UHFFFAOYSA-N 1 2 230.264 0.145 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000929852363 646361379 /nfs/dbraw/zinc/36/13/79/646361379.db2.gz OCPQJDQCGJPAGV-UHFFFAOYSA-N 1 2 230.264 0.145 20 5 BCBDLO CC[N@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000921047559 711882183 /nfs/dbraw/zinc/88/21/83/711882183.db2.gz YJMNFHPZUKQWBF-UHFFFAOYSA-N 1 2 228.252 0.717 20 5 BCBDLO CC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000921047559 711882185 /nfs/dbraw/zinc/88/21/85/711882185.db2.gz YJMNFHPZUKQWBF-UHFFFAOYSA-N 1 2 228.252 0.717 20 5 BCBDLO Cc1nn(Cc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000603331768 344482269 /nfs/dbraw/zinc/48/22/69/344482269.db2.gz HQOYZVQFKDCORR-UHFFFAOYSA-N 1 2 221.220 0.882 20 5 BCBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1C ZINC000158554096 344676718 /nfs/dbraw/zinc/67/67/18/344676718.db2.gz CXHURNBHNLZGBR-UHFFFAOYSA-N 1 2 221.220 0.882 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000408311056 345112309 /nfs/dbraw/zinc/11/23/09/345112309.db2.gz WDUJWRAVNNFOOK-MRVPVSSYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](O)C1 ZINC000408311056 345112311 /nfs/dbraw/zinc/11/23/11/345112311.db2.gz WDUJWRAVNNFOOK-MRVPVSSYSA-N 1 2 240.263 0.285 20 5 BCBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595304495 348221641 /nfs/dbraw/zinc/22/16/41/348221641.db2.gz UJPKMRRQTNFPEB-SSDOTTSWSA-N 1 2 227.220 0.458 20 5 BCBDLO Cc1noc(C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595304495 348221647 /nfs/dbraw/zinc/22/16/47/348221647.db2.gz UJPKMRRQTNFPEB-SSDOTTSWSA-N 1 2 227.220 0.458 20 5 BCBDLO Cc1noc(C[N@@H+](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595395717 348237728 /nfs/dbraw/zinc/23/77/28/348237728.db2.gz KPJOCCIFPALMOM-LURJTMIESA-N 1 2 229.236 0.704 20 5 BCBDLO Cc1noc(C[N@H+](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595395717 348237731 /nfs/dbraw/zinc/23/77/31/348237731.db2.gz KPJOCCIFPALMOM-LURJTMIESA-N 1 2 229.236 0.704 20 5 BCBDLO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000048545805 353157271 /nfs/dbraw/zinc/15/72/71/353157271.db2.gz MDLQQFWBQBQFDE-UHFFFAOYSA-N 1 2 249.270 0.569 20 5 BCBDLO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000048545805 353157272 /nfs/dbraw/zinc/15/72/72/353157272.db2.gz MDLQQFWBQBQFDE-UHFFFAOYSA-N 1 2 249.270 0.569 20 5 BCBDLO COc1cc[nH+]cc1Cn1cnc([N+](=O)[O-])n1 ZINC000343836352 354035255 /nfs/dbraw/zinc/03/52/55/354035255.db2.gz UTAKVCURBJLCMI-UHFFFAOYSA-N 1 2 235.203 0.638 20 5 BCBDLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347054 357037053 /nfs/dbraw/zinc/03/70/53/357037053.db2.gz FPVMANXGLNITFT-QMMMGPOBSA-N 1 2 237.259 0.900 20 5 BCBDLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347054 357037055 /nfs/dbraw/zinc/03/70/55/357037055.db2.gz FPVMANXGLNITFT-QMMMGPOBSA-N 1 2 237.259 0.900 20 5 BCBDLO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000583203261 357519393 /nfs/dbraw/zinc/51/93/93/357519393.db2.gz YZABMRWJBJXDSJ-UHFFFAOYSA-N 1 2 239.231 0.331 20 5 BCBDLO NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000020666741 181293340 /nfs/dbraw/zinc/29/33/40/181293340.db2.gz TWPIGLVTWJODLF-UHFFFAOYSA-N 1 2 232.199 0.879 20 5 BCBDLO COC[C@@H]1CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339286108 383949503 /nfs/dbraw/zinc/94/95/03/383949503.db2.gz UXAHEWAJIYLSMP-QMMMGPOBSA-N 1 2 240.263 0.549 20 5 BCBDLO COC[C@@H]1CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339286108 383949507 /nfs/dbraw/zinc/94/95/07/383949507.db2.gz UXAHEWAJIYLSMP-QMMMGPOBSA-N 1 2 240.263 0.549 20 5 BCBDLO [NH3+]CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000564936455 384591593 /nfs/dbraw/zinc/59/15/93/384591593.db2.gz LLOCEOHSNFKWJD-UHFFFAOYSA-N 1 2 239.231 0.978 20 5 BCBDLO Cn1c[nH+]cc1Cn1ncc([N+](=O)[O-])c1N 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ZINC000121900589 387942429 /nfs/dbraw/zinc/94/24/29/387942429.db2.gz FDZPGXRAQIRVOA-UHFFFAOYSA-N 1 2 207.193 0.688 20 5 BCBDLO C[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332690009 388793869 /nfs/dbraw/zinc/79/38/69/388793869.db2.gz QDZPGSZRFACOHG-QMMMGPOBSA-N 1 2 237.259 0.729 20 5 BCBDLO C[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332690009 388793872 /nfs/dbraw/zinc/79/38/72/388793872.db2.gz QDZPGSZRFACOHG-QMMMGPOBSA-N 1 2 237.259 0.729 20 5 BCBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCO)CC2 ZINC000332661573 388794501 /nfs/dbraw/zinc/79/45/01/388794501.db2.gz CYDYUQUCDVORRS-UHFFFAOYSA-N 1 2 223.232 0.340 20 5 BCBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCO)CC2 ZINC000332661573 388794506 /nfs/dbraw/zinc/79/45/06/388794506.db2.gz CYDYUQUCDVORRS-UHFFFAOYSA-N 1 2 223.232 0.340 20 5 BCBDLO C[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000234374187 173341713 /nfs/dbraw/zinc/34/17/13/173341713.db2.gz FJTUVVZNISXYSW-UHFFFAOYSA-N 1 2 239.231 0.848 20 5 BCBDLO COc1cc[nH+]cc1Cn1ncc([N+](=O)[O-])c1N ZINC000341295208 175375221 /nfs/dbraw/zinc/37/52/21/175375221.db2.gz WYTOQRAQZTYIQK-UHFFFAOYSA-N 1 2 249.230 0.825 20 5 BCBDLO C[C@@H](C[NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000567822080 326263679 /nfs/dbraw/zinc/26/36/79/326263679.db2.gz WMQRRTVFVZGDIV-LURJTMIESA-N 1 2 239.231 0.834 20 5 BCBDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC[N+](=O)[O-] ZINC000791051709 583383774 /nfs/dbraw/zinc/38/37/74/583383774.db2.gz HWOPNCACTFOFNX-QMMMGPOBSA-N 1 2 248.304 0.244 20 5 BCBDLO COC(=O)C[C@H]1CSCC[N@H+]1CC[N+](=O)[O-] ZINC000791051709 583383776 /nfs/dbraw/zinc/38/37/76/583383776.db2.gz HWOPNCACTFOFNX-QMMMGPOBSA-N 1 2 248.304 0.244 20 5 BCBDLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000902635718 584648424 /nfs/dbraw/zinc/64/84/24/584648424.db2.gz BHUGOFRGVHPFFS-DTWKUNHWSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000902635718 584648425 /nfs/dbraw/zinc/64/84/25/584648425.db2.gz BHUGOFRGVHPFFS-DTWKUNHWSA-N 1 2 240.263 0.858 20 5 BCBDLO COC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000751950043 585239931 /nfs/dbraw/zinc/23/99/31/585239931.db2.gz NZIJCKUQVDGYHT-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO COC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000751950043 585239932 /nfs/dbraw/zinc/23/99/32/585239932.db2.gz NZIJCKUQVDGYHT-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839694182 585335660 /nfs/dbraw/zinc/33/56/60/585335660.db2.gz UNJIQKZCAIRYCA-HTQZYQBOSA-N 1 2 246.226 0.938 20 5 BCBDLO COCC[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858501 585769041 /nfs/dbraw/zinc/76/90/41/585769041.db2.gz HBTCURQSKXOCQP-UHFFFAOYSA-N 1 2 228.252 0.635 20 5 BCBDLO COCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779858501 585769042 /nfs/dbraw/zinc/76/90/42/585769042.db2.gz HBTCURQSKXOCQP-UHFFFAOYSA-N 1 2 228.252 0.635 20 5 BCBDLO CN(C)c1cc(Cn2cnc([N+](=O)[O-])n2)cc[nH+]1 ZINC000782111781 585807830 /nfs/dbraw/zinc/80/78/30/585807830.db2.gz KFTYRHUNVHQAJZ-UHFFFAOYSA-N 1 2 248.246 0.696 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000791054542 585973277 /nfs/dbraw/zinc/97/32/77/585973277.db2.gz KJDHLHCKICFHBN-UHFFFAOYSA-N 1 2 237.250 0.536 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCCN(CC(F)F)CC1 ZINC000791054542 585973278 /nfs/dbraw/zinc/97/32/78/585973278.db2.gz KJDHLHCKICFHBN-UHFFFAOYSA-N 1 2 237.250 0.536 20 5 BCBDLO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840169600 586503481 /nfs/dbraw/zinc/50/34/81/586503481.db2.gz XTLPVOIKTXVDCO-CBAPKCEASA-N 1 2 240.288 0.939 20 5 BCBDLO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840169600 586503482 /nfs/dbraw/zinc/50/34/82/586503482.db2.gz XTLPVOIKTXVDCO-CBAPKCEASA-N 1 2 240.288 0.939 20 5 BCBDLO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000812295872 586572985 /nfs/dbraw/zinc/57/29/85/586572985.db2.gz KPHAWJNNNPUTIB-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000812295872 586572986 /nfs/dbraw/zinc/57/29/86/586572986.db2.gz KPHAWJNNNPUTIB-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO [NH3+]C1(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CCCC1 ZINC000842596389 588045151 /nfs/dbraw/zinc/04/51/51/588045151.db2.gz NCEHJHOMERUQAV-RNFRBKRXSA-N 1 2 238.247 0.930 20 5 BCBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H](C)CO1 ZINC000930852772 634136368 /nfs/dbraw/zinc/13/63/68/634136368.db2.gz PJRLRIFCLUPKRL-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H](C)CO1 ZINC000930852772 634136376 /nfs/dbraw/zinc/13/63/76/634136376.db2.gz PJRLRIFCLUPKRL-RKDXNWHRSA-N 1 2 202.254 0.762 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000791054190 635763460 /nfs/dbraw/zinc/76/34/60/635763460.db2.gz YJUXINRMSIQECX-RQJHMYQMSA-N 1 2 242.197 0.651 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000791054190 635763465 /nfs/dbraw/zinc/76/34/65/635763465.db2.gz YJUXINRMSIQECX-RQJHMYQMSA-N 1 2 242.197 0.651 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000905158550 637638154 /nfs/dbraw/zinc/63/81/54/637638154.db2.gz JHFQRBKQRKFCJQ-QMMMGPOBSA-N 1 2 210.237 0.133 20 5 BCBDLO COc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC)n1 ZINC000905264696 637717642 /nfs/dbraw/zinc/71/76/42/637717642.db2.gz UVYYVNUXKIIXHY-UHFFFAOYSA-N 1 2 241.247 0.465 20 5 BCBDLO CCn1ccnc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905278911 637734855 /nfs/dbraw/zinc/73/48/55/637734855.db2.gz JYFVQHPUBNNUIL-MRVPVSSYSA-N 1 2 212.253 0.830 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000930251886 639661177 /nfs/dbraw/zinc/66/11/77/639661177.db2.gz NNHRNCXFZIXZMM-HRDYMLBCSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000930251886 639661171 /nfs/dbraw/zinc/66/11/71/639661171.db2.gz NNHRNCXFZIXZMM-HRDYMLBCSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294121 639685497 /nfs/dbraw/zinc/68/54/97/639685497.db2.gz IEBIHBJHHDTJNQ-UWVGGRQHSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294121 639685501 /nfs/dbraw/zinc/68/55/01/639685501.db2.gz IEBIHBJHHDTJNQ-UWVGGRQHSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N+](=O)[O-] ZINC000930454636 639760064 /nfs/dbraw/zinc/76/00/64/639760064.db2.gz HQCKIGDUZLELFM-QWRGUYRKSA-N 1 2 243.307 0.058 20 5 BCBDLO C[C@@]1(C2CC2)C[N@H+](CC[N+](=O)[O-])CCO1 ZINC000930922442 639990988 /nfs/dbraw/zinc/99/09/88/639990988.db2.gz GETSQNOPGVMZCN-JTQLQIEISA-N 1 2 214.265 0.764 20 5 BCBDLO C[C@@]1(C2CC2)C[N@@H+](CC[N+](=O)[O-])CCO1 ZINC000930922442 639990989 /nfs/dbraw/zinc/99/09/89/639990989.db2.gz GETSQNOPGVMZCN-JTQLQIEISA-N 1 2 214.265 0.764 20 5 BCBDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930967308 640005201 /nfs/dbraw/zinc/00/52/01/640005201.db2.gz HYAUWRULJKKNSK-VIFPVBQESA-N 1 2 214.265 0.907 20 5 BCBDLO C[C@H]1COC2(CCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930967308 640005204 /nfs/dbraw/zinc/00/52/04/640005204.db2.gz 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/nfs/dbraw/zinc/80/53/17/356805317.db2.gz HBSKGKLYVMCVFK-UHFFFAOYSA-N 1 2 236.187 0.841 20 5 BCBDLO NC(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000152444394 201199296 /nfs/dbraw/zinc/19/92/96/201199296.db2.gz MJNRJDCJQJEBNF-UHFFFAOYSA-N 1 2 241.272 0.764 20 5 BCBDLO C[C@@H](CO)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000338591759 385259733 /nfs/dbraw/zinc/25/97/33/385259733.db2.gz IBZOYNFUGQCCNF-ZETCQYMHSA-N 1 2 228.252 0.141 20 5 BCBDLO C[C@@H](CO)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000338591759 385259740 /nfs/dbraw/zinc/25/97/40/385259740.db2.gz IBZOYNFUGQCCNF-ZETCQYMHSA-N 1 2 228.252 0.141 20 5 BCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCO)CCO2 ZINC000352678173 388362710 /nfs/dbraw/zinc/36/27/10/388362710.db2.gz MZLOCRKTEFEUFM-UHFFFAOYSA-N 1 2 238.243 0.782 20 5 BCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCO)CCO2 ZINC000352678173 388362713 /nfs/dbraw/zinc/36/27/13/388362713.db2.gz MZLOCRKTEFEUFM-UHFFFAOYSA-N 1 2 238.243 0.782 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCO ZINC000331278977 388769685 /nfs/dbraw/zinc/76/96/85/388769685.db2.gz DSCSLWVDPWYFFQ-UHFFFAOYSA-N 1 2 228.252 0.143 20 5 BCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCO ZINC000331278977 388769689 /nfs/dbraw/zinc/76/96/89/388769689.db2.gz DSCSLWVDPWYFFQ-UHFFFAOYSA-N 1 2 228.252 0.143 20 5 BCBDLO C[C@@H]1COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267027540 176335492 /nfs/dbraw/zinc/33/54/92/176335492.db2.gz AAYAUVRCWKCOFF-SECBINFHSA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@@H]1COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267027540 176335493 /nfs/dbraw/zinc/33/54/93/176335493.db2.gz AAYAUVRCWKCOFF-SECBINFHSA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157630017 177293011 /nfs/dbraw/zinc/29/30/11/177293011.db2.gz ICXKCMXXQTWPRA-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157630017 177293012 /nfs/dbraw/zinc/29/30/12/177293012.db2.gz ICXKCMXXQTWPRA-VIFPVBQESA-N 1 2 240.263 0.512 20 5 BCBDLO CC[C@@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000571043954 323105080 /nfs/dbraw/zinc/10/50/80/323105080.db2.gz HGMWRSIJBWKTIX-SSDOTTSWSA-N 1 2 239.231 0.976 20 5 BCBDLO O=[N+]([O-])c1ncn(Cc2c[nH+]c3ccccn23)n1 ZINC000155940101 326215418 /nfs/dbraw/zinc/21/54/18/326215418.db2.gz FNSXSNPYJXWCKR-UHFFFAOYSA-N 1 2 244.214 0.882 20 5 BCBDLO CN(Cc1c[nH+]c[nH]1)c1c([N+](=O)[O-])cnn1C ZINC000894472270 583468310 /nfs/dbraw/zinc/46/83/10/583468310.db2.gz RUZGQMSLLIHONN-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO CN(Cc1c[nH]c[nH+]1)c1c([N+](=O)[O-])cnn1C ZINC000894472270 583468312 /nfs/dbraw/zinc/46/83/12/583468312.db2.gz RUZGQMSLLIHONN-UHFFFAOYSA-N 1 2 236.235 0.688 20 5 BCBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccccn2)CC1 ZINC000206620182 583930498 /nfs/dbraw/zinc/93/04/98/583930498.db2.gz UABPHZBXMVLGSC-UHFFFAOYSA-N 1 2 236.275 0.480 20 5 BCBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCOCC1 ZINC000748068647 585186821 /nfs/dbraw/zinc/18/68/21/585186821.db2.gz IBNZLDBNEXWSFG-UHFFFAOYSA-N 1 2 226.236 0.471 20 5 BCBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCCOCC1 ZINC000748068647 585186822 /nfs/dbraw/zinc/18/68/22/585186822.db2.gz IBNZLDBNEXWSFG-UHFFFAOYSA-N 1 2 226.236 0.471 20 5 BCBDLO CO[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751939054 585239534 /nfs/dbraw/zinc/23/95/34/585239534.db2.gz ICSXLQCOTPVIKG-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO CO[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751939054 585239535 /nfs/dbraw/zinc/23/95/35/585239535.db2.gz ICSXLQCOTPVIKG-MRVPVSSYSA-N 1 2 226.236 0.470 20 5 BCBDLO COC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000751948936 585239718 /nfs/dbraw/zinc/23/97/18/585239718.db2.gz HOPCCSQEOKSGQO-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO COC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000751948936 585239719 /nfs/dbraw/zinc/23/97/19/585239719.db2.gz HOPCCSQEOKSGQO-SECBINFHSA-N 1 2 240.263 0.860 20 5 BCBDLO O=C1C[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000791052389 585972715 /nfs/dbraw/zinc/97/27/15/585972715.db2.gz MTTLDAYHRRLWSE-DTWKUNHWSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C1C[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000791052389 585972716 /nfs/dbraw/zinc/97/27/16/585972716.db2.gz MTTLDAYHRRLWSE-DTWKUNHWSA-N 1 2 227.264 0.006 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC=C[C@H]1CO ZINC000886317957 592207869 /nfs/dbraw/zinc/20/78/69/592207869.db2.gz FZWLKNZOUQPYFG-JTQLQIEISA-N 1 2 235.243 0.723 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC=C[C@H]1CO ZINC000886317957 592207871 /nfs/dbraw/zinc/20/78/71/592207871.db2.gz FZWLKNZOUQPYFG-JTQLQIEISA-N 1 2 235.243 0.723 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]1CO ZINC000934016475 631611025 /nfs/dbraw/zinc/61/10/25/631611025.db2.gz VZFONUVBZASGTC-VIFPVBQESA-N 1 2 223.232 0.556 20 5 BCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]1CO ZINC000934016475 631611029 /nfs/dbraw/zinc/61/10/29/631611029.db2.gz VZFONUVBZASGTC-VIFPVBQESA-N 1 2 223.232 0.556 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000791054189 635763419 /nfs/dbraw/zinc/76/34/19/635763419.db2.gz YJUXINRMSIQECX-RNFRBKRXSA-N 1 2 242.197 0.651 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000791054189 635763423 /nfs/dbraw/zinc/76/34/23/635763423.db2.gz YJUXINRMSIQECX-RNFRBKRXSA-N 1 2 242.197 0.651 20 5 BCBDLO COc1ncccc1C[NH2+]CC[N+](=O)[O-] ZINC000905039906 637560037 /nfs/dbraw/zinc/56/00/37/637560037.db2.gz IDWNXZKNSIOJOS-UHFFFAOYSA-N 1 2 211.221 0.457 20 5 BCBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000930251888 639660237 /nfs/dbraw/zinc/66/02/37/639660237.db2.gz NNHRNCXFZIXZMM-VGMNWLOBSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000930251888 639660240 /nfs/dbraw/zinc/66/02/40/639660240.db2.gz NNHRNCXFZIXZMM-VGMNWLOBSA-N 1 2 202.254 0.761 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000930268476 639667309 /nfs/dbraw/zinc/66/73/09/639667309.db2.gz BMROWCMKGIOTSC-WCBMZHEXSA-N 1 2 214.265 0.762 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000930268476 639667315 /nfs/dbraw/zinc/66/73/15/639667315.db2.gz BMROWCMKGIOTSC-WCBMZHEXSA-N 1 2 214.265 0.762 20 5 BCBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000930294122 639684785 /nfs/dbraw/zinc/68/47/85/639684785.db2.gz IEBIHBJHHDTJNQ-VHSXEESVSA-N 1 2 230.264 0.143 20 5 BCBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000930294122 639684793 /nfs/dbraw/zinc/68/47/93/639684793.db2.gz IEBIHBJHHDTJNQ-VHSXEESVSA-N 1 2 230.264 0.143 20 5 BCBDLO CN1CCCC[C@H]([N@H+](C)CC[N+](=O)[O-])C1=O ZINC000931472479 640228763 /nfs/dbraw/zinc/22/87/63/640228763.db2.gz SRWDGKLPGXOZKX-VIFPVBQESA-N 1 2 229.280 0.206 20 5 BCBDLO CN1CCCC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1=O ZINC000931472479 640228768 /nfs/dbraw/zinc/22/87/68/640228768.db2.gz SRWDGKLPGXOZKX-VIFPVBQESA-N 1 2 229.280 0.206 20 5 BCBDLO Cc1nccnc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000931617553 640290679 /nfs/dbraw/zinc/29/06/79/640290679.db2.gz HCORINHQWJLFLJ-MRVPVSSYSA-N 1 2 210.237 0.712 20 5 BCBDLO CCOC(=O)N[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929269146 646049450 /nfs/dbraw/zinc/04/94/50/646049450.db2.gz BWEXNJNMYHPBMP-VIFPVBQESA-N 1 2 245.279 0.474 20 5 BCBDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929269146 646049454 /nfs/dbraw/zinc/04/94/54/646049454.db2.gz BWEXNJNMYHPBMP-VIFPVBQESA-N 1 2 245.279 0.474 20 5 BCBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929360622 646096039 /nfs/dbraw/zinc/09/60/39/646096039.db2.gz QQEPERNCCVYCOC-SNVBAGLBSA-N 1 2 243.307 0.596 20 5 BCBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929360622 646096043 /nfs/dbraw/zinc/09/60/43/646096043.db2.gz QQEPERNCCVYCOC-SNVBAGLBSA-N 1 2 243.307 0.596 20 5 BCBDLO CC[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000929620697 646206092 /nfs/dbraw/zinc/20/60/92/646206092.db2.gz VCGOOSLMKDOQHZ-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000929620697 646206097 /nfs/dbraw/zinc/20/60/97/646206097.db2.gz VCGOOSLMKDOQHZ-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930091764 646432116 /nfs/dbraw/zinc/43/21/16/646432116.db2.gz ZKGDFZGXJASXBQ-GMTAPVOTSA-N 1 2 244.291 0.531 20 5 BCBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930091764 646432119 /nfs/dbraw/zinc/43/21/19/646432119.db2.gz ZKGDFZGXJASXBQ-GMTAPVOTSA-N 1 2 244.291 0.531 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933673224 711545678 /nfs/dbraw/zinc/54/56/78/711545678.db2.gz FPBVBGRPVILQSB-QWRGUYRKSA-N 1 2 244.291 0.391 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933673224 711545682 /nfs/dbraw/zinc/54/56/82/711545682.db2.gz FPBVBGRPVILQSB-QWRGUYRKSA-N 1 2 244.291 0.391 20 5 BCBDLO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592334090 347768334 /nfs/dbraw/zinc/76/83/34/347768334.db2.gz XZHGFBRHQTWDCU-ZCFIWIBFSA-N 1 2 239.231 0.377 20 5 BCBDLO Cc1noc(C[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000595291756 348214480 /nfs/dbraw/zinc/21/44/80/348214480.db2.gz RBZIOYACZZZVMT-UHFFFAOYSA-N 1 2 215.209 0.315 20 5 BCBDLO Cc1noc(C[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000595291756 348214481 /nfs/dbraw/zinc/21/44/81/348214481.db2.gz RBZIOYACZZZVMT-UHFFFAOYSA-N 1 2 215.209 0.315 20 5 BCBDLO C[NH+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000131784254 191017089 /nfs/dbraw/zinc/01/70/89/191017089.db2.gz GUEAUYZLCBLXNR-UHFFFAOYSA-N 1 2 239.231 0.801 20 5 BCBDLO Cc1ncc([N+](=O)[O-])n1CCn1cc[nH+]c1 ZINC000049021305 180175500 /nfs/dbraw/zinc/17/55/00/180175500.db2.gz OPEAAKMMLDZBGS-UHFFFAOYSA-N 1 2 221.220 0.996 20 5 BCBDLO C[C@@H]1COCC[N@@H+]1CCn1nccc1[N+](=O)[O-] ZINC000412994198 191331759 /nfs/dbraw/zinc/33/17/59/191331759.db2.gz PXWWZIAGRBKUJA-SECBINFHSA-N 1 2 240.263 0.512 20 5 BCBDLO C[C@@H]1COCC[N@H+]1CCn1nccc1[N+](=O)[O-] ZINC000412994198 191331762 /nfs/dbraw/zinc/33/17/62/191331762.db2.gz PXWWZIAGRBKUJA-SECBINFHSA-N 1 2 240.263 0.512 20 5 BCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc[nH+]c1 ZINC000070163653 181292092 /nfs/dbraw/zinc/29/20/92/181292092.db2.gz LISSSHMJWQNTGC-UHFFFAOYSA-N 1 2 233.187 0.274 20 5 BCBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000070991774 359069697 /nfs/dbraw/zinc/06/96/97/359069697.db2.gz FZEJVRHVOHGMPT-UHFFFAOYSA-N 1 2 235.203 0.576 20 5 BCBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]1 ZINC000573799873 364917913 /nfs/dbraw/zinc/91/79/13/364917913.db2.gz HEZVNHIBPRHGDJ-SSDOTTSWSA-N 1 2 237.215 0.601 20 5 BCBDLO CC(C)([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575920637 365413235 /nfs/dbraw/zinc/41/32/35/365413235.db2.gz FTAYEZNKFYTRSB-UHFFFAOYSA-N 1 2 239.231 0.976 20 5 BCBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340224698 384137611 /nfs/dbraw/zinc/13/76/11/384137611.db2.gz BAEQYIMORRTGDM-LLVKDONJSA-N 1 2 249.270 0.915 20 5 BCBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340224698 384137617 /nfs/dbraw/zinc/13/76/17/384137617.db2.gz BAEQYIMORRTGDM-LLVKDONJSA-N 1 2 249.270 0.915 20 5 BCBDLO Cn1c[nH+]cc1CCn1cccc([N+](=O)[O-])c1=O ZINC000287497924 384318800 /nfs/dbraw/zinc/31/88/00/384318800.db2.gz KGCGTBNYOOTEEQ-UHFFFAOYSA-N 1 2 248.242 0.733 20 5 BCBDLO Cc1nn(C)c(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000111551572 384668994 /nfs/dbraw/zinc/66/89/94/384668994.db2.gz LLVLYOIGARXJBI-UHFFFAOYSA-N 1 2 207.193 0.822 20 5 BCBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000178290795 384939802 /nfs/dbraw/zinc/93/98/02/384939802.db2.gz YMQOHYDTUGDKMK-LLVKDONJSA-N 1 2 249.270 0.915 20 5 BCBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000178290795 384939815 /nfs/dbraw/zinc/93/98/15/384939815.db2.gz YMQOHYDTUGDKMK-LLVKDONJSA-N 1 2 249.270 0.915 20 5 BCBDLO Cc1cc(=O)n(CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000160176740 386217448 /nfs/dbraw/zinc/21/74/48/386217448.db2.gz FHOGKRWLUULAJH-UHFFFAOYSA-N 1 2 248.242 0.962 20 5 BCBDLO O=[N+]([O-])c1cn(CCn2cc[nH+]c2)cn1 ZINC000160078989 386334664 /nfs/dbraw/zinc/33/46/64/386334664.db2.gz AYKVGJDGJLEQSP-UHFFFAOYSA-N 1 2 207.193 0.688 20 5 BCBDLO Cc1nn(Cc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000332611199 388792985 /nfs/dbraw/zinc/79/29/85/388792985.db2.gz BVUFPXXEULPBRC-UHFFFAOYSA-N 1 2 221.220 0.882 20 5 BCBDLO C[C@@H](C(N)=O)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153045134 388933777 /nfs/dbraw/zinc/93/37/77/388933777.db2.gz BSFFSCVZSYAJKE-QMMMGPOBSA-N 1 2 249.270 0.827 20 5 BCBDLO C[C@@H](C(N)=O)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153045134 388933775 /nfs/dbraw/zinc/93/37/75/388933775.db2.gz BSFFSCVZSYAJKE-QMMMGPOBSA-N 1 2 249.270 0.827 20 5 BCBDLO O=[N+]([O-])c1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC000357581082 132274120 /nfs/dbraw/zinc/27/41/20/132274120.db2.gz MEKFBCYKENSERE-UHFFFAOYSA-N 1 2 246.230 0.602 20 5 BCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000304282163 229346021 /nfs/dbraw/zinc/34/60/21/229346021.db2.gz DXMRHHXSBWHVMP-VIFPVBQESA-N 1 2 237.219 0.049 20 5 BCBDLO COC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000751950045 585239888 /nfs/dbraw/zinc/23/98/88/585239888.db2.gz NZIJCKUQVDGYHT-VIFPVBQESA-N 1 2 240.263 0.860 20 5 BCBDLO 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344458747 /nfs/dbraw/zinc/45/87/47/344458747.db2.gz KZKXWMBIGOBABF-UHFFFAOYSA-N 1 2 249.230 0.619 20 5 BCBDLO O=[N+]([O-])c1ncn(Cc2cn3ccccc3[nH+]2)n1 ZINC000048603132 187395619 /nfs/dbraw/zinc/39/56/19/187395619.db2.gz PGYYYQZJAGYGOT-UHFFFAOYSA-N 1 2 244.214 0.882 20 5 BCBDLO CC(C)([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232527279 353105889 /nfs/dbraw/zinc/10/58/89/353105889.db2.gz RDWHRRZKVRJWHQ-UHFFFAOYSA-N 1 2 239.231 0.976 20 5 BCBDLO Cn1c(C(=O)NCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000088759319 356811070 /nfs/dbraw/zinc/81/10/70/356811070.db2.gz VXEBMWDFERGPAN-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO Cn1c(C(=O)NCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000088759319 356811073 /nfs/dbraw/zinc/81/10/73/356811073.db2.gz VXEBMWDFERGPAN-UHFFFAOYSA-N 1 2 249.230 0.586 20 5 BCBDLO C[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000026736697 358951266 /nfs/dbraw/zinc/95/12/66/358951266.db2.gz JRLOFBGLFVYCKG-UHFFFAOYSA-N 1 2 223.232 0.512 20 5 BCBDLO C[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 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/nfs/dbraw/zinc/91/49/16/585914916.db2.gz AHDHWBABZYUYMD-BBBLOLIVSA-N 1 2 242.275 0.537 20 5 BCBDLO O=C1C[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000791052387 585972899 /nfs/dbraw/zinc/97/28/99/585972899.db2.gz MTTLDAYHRRLWSE-BDAKNGLRSA-N 1 2 227.264 0.006 20 5 BCBDLO O=C1C[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000791052387 585972900 /nfs/dbraw/zinc/97/29/00/585972900.db2.gz MTTLDAYHRRLWSE-BDAKNGLRSA-N 1 2 227.264 0.006 20 5 BCBDLO CO[C@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000795668534 586090797 /nfs/dbraw/zinc/09/07/97/586090797.db2.gz ARAZMTWGSFNIFO-DTORHVGOSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000795668534 586090798 /nfs/dbraw/zinc/09/07/98/586090798.db2.gz ARAZMTWGSFNIFO-DTORHVGOSA-N 1 2 240.263 0.858 20 5 BCBDLO CO[C@H](C)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000795747322 586091830 /nfs/dbraw/zinc/09/18/30/586091830.db2.gz JTVQLZCDVNHPMF-MRVPVSSYSA-N 1 2 228.252 0.716 20 5 BCBDLO CO[C@H](C)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000795747322 586091831 /nfs/dbraw/zinc/09/18/31/586091831.db2.gz JTVQLZCDVNHPMF-MRVPVSSYSA-N 1 2 228.252 0.716 20 5 BCBDLO O=[N+]([O-])c1cnn(CN2CCn3c[nH+]cc3C2)c1 ZINC000811787703 586566852 /nfs/dbraw/zinc/56/68/52/586566852.db2.gz RWRBOSIMUTUWDH-UHFFFAOYSA-N 1 2 248.246 0.461 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000905173801 637683192 /nfs/dbraw/zinc/68/31/92/637683192.db2.gz HPLLBDFOVYLHCL-MRVPVSSYSA-N 1 2 210.237 0.653 20 5 BCBDLO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000905173801 637683194 /nfs/dbraw/zinc/68/31/94/637683194.db2.gz HPLLBDFOVYLHCL-MRVPVSSYSA-N 1 2 210.237 0.653 20 5 BCBDLO O=[N+]([O-])CC[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000905256838 637714645 /nfs/dbraw/zinc/71/46/45/637714645.db2.gz RTNBVSPLKDDMEI-UHFFFAOYSA-N 1 2 234.259 0.972 20 5 BCBDLO CCCc1ncc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905282247 637736528 /nfs/dbraw/zinc/73/65/28/637736528.db2.gz XOKPSXWDEXODAH-UHFFFAOYSA-N 1 2 213.237 0.993 20 5 BCBDLO O=[N+]([O-])CC[NH2+]Cc1nc2c(s1)COCC2 ZINC000905620679 637860534 /nfs/dbraw/zinc/86/05/34/637860534.db2.gz GECDGSDZEQYERY-UHFFFAOYSA-N 1 2 243.288 0.582 20 5 BCBDLO Cc1nnc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000930724399 639879132 /nfs/dbraw/zinc/87/91/32/639879132.db2.gz DIFRKCPZAPPVRS-QMMMGPOBSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1nnc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000930724399 639879138 /nfs/dbraw/zinc/87/91/38/639879138.db2.gz DIFRKCPZAPPVRS-QMMMGPOBSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1n[nH]c([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000930724399 639879144 /nfs/dbraw/zinc/87/91/44/639879144.db2.gz DIFRKCPZAPPVRS-QMMMGPOBSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000930724399 639879148 /nfs/dbraw/zinc/87/91/48/639879148.db2.gz DIFRKCPZAPPVRS-QMMMGPOBSA-N 1 2 225.252 0.179 20 5 BCBDLO O=[N+]([O-])CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000931035956 640031153 /nfs/dbraw/zinc/03/11/53/640031153.db2.gz XQXQXTIEYWQVOW-UHFFFAOYSA-N 1 2 243.307 0.060 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931676965 640309777 /nfs/dbraw/zinc/30/97/77/640309777.db2.gz XPLRLECJQRPHMI-UHFFFAOYSA-N 1 2 236.275 0.924 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931676965 640309779 /nfs/dbraw/zinc/30/97/79/640309779.db2.gz XPLRLECJQRPHMI-UHFFFAOYSA-N 1 2 236.275 0.924 20 5 BCBDLO C[N@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726018 641459132 /nfs/dbraw/zinc/45/91/32/641459132.db2.gz CRJOAWKQTVRKBJ-JTQLQIEISA-N 1 2 240.263 0.860 20 5 BCBDLO C[N@@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726018 641459143 /nfs/dbraw/zinc/45/91/43/641459143.db2.gz CRJOAWKQTVRKBJ-JTQLQIEISA-N 1 2 240.263 0.860 20 5 BCBDLO C[N@H+](C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726117 641459420 /nfs/dbraw/zinc/45/94/20/641459420.db2.gz CRJOAWKQTVRKBJ-SNVBAGLBSA-N 1 2 240.263 0.860 20 5 BCBDLO C[N@@H+](C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726117 641459425 /nfs/dbraw/zinc/45/94/25/641459425.db2.gz CRJOAWKQTVRKBJ-SNVBAGLBSA-N 1 2 240.263 0.860 20 5 BCBDLO CC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000233967842 643121607 /nfs/dbraw/zinc/12/16/07/643121607.db2.gz SPOAJXKPWFPVAF-UHFFFAOYSA-N 1 2 239.231 0.848 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOCC12CCCC2 ZINC000930133868 646455188 /nfs/dbraw/zinc/45/51/88/646455188.db2.gz MWHDGXCTVOZPRD-UHFFFAOYSA-N 1 2 214.265 0.908 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOCC12CCCC2 ZINC000930133868 646455189 /nfs/dbraw/zinc/45/51/89/646455189.db2.gz MWHDGXCTVOZPRD-UHFFFAOYSA-N 1 2 214.265 0.908 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933673226 711546053 /nfs/dbraw/zinc/54/60/53/711546053.db2.gz FPBVBGRPVILQSB-WDEREUQCSA-N 1 2 244.291 0.391 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933673226 711546054 /nfs/dbraw/zinc/54/60/54/711546054.db2.gz FPBVBGRPVILQSB-WDEREUQCSA-N 1 2 244.291 0.391 20 5 BCBDLO Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cn1 ZINC000071274350 343646858 /nfs/dbraw/zinc/64/68/58/343646858.db2.gz HZCKWTDONUKLMI-UHFFFAOYSA-N 1 2 234.219 0.730 20 5 BCBDLO Cc1noc(C[N@@H+](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595395718 348237645 /nfs/dbraw/zinc/23/76/45/348237645.db2.gz KPJOCCIFPALMOM-ZCFIWIBFSA-N 1 2 229.236 0.704 20 5 BCBDLO Cc1noc(C[N@H+](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595395718 348237647 /nfs/dbraw/zinc/23/76/47/348237647.db2.gz KPJOCCIFPALMOM-ZCFIWIBFSA-N 1 2 229.236 0.704 20 5 BCBDLO COC[C@H]1CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339286106 383948509 /nfs/dbraw/zinc/94/85/09/383948509.db2.gz UXAHEWAJIYLSMP-MRVPVSSYSA-N 1 2 240.263 0.549 20 5 BCBDLO COC[C@H]1CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339286106 383948517 /nfs/dbraw/zinc/94/85/17/383948517.db2.gz UXAHEWAJIYLSMP-MRVPVSSYSA-N 1 2 240.263 0.549 20 5 BCBDLO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286135589 384243167 /nfs/dbraw/zinc/24/31/67/384243167.db2.gz PBSOLJBMTVXFLC-LURJTMIESA-N 1 2 239.231 0.377 20 5 BCBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000178290809 384939039 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Cn1ncc([N+](=O)[O-])c1N1CCc2[nH+]c[nH]c2C1 ZINC000893907236 583244013 /nfs/dbraw/zinc/24/40/13/583244013.db2.gz JBYDCNFOFAAFSH-UHFFFAOYSA-N 1 2 248.246 0.614 20 5 BCBDLO CCOC(=O)[C@@H](C)C1C[NH+](CC[N+](=O)[O-])C1 ZINC000899894320 584248063 /nfs/dbraw/zinc/24/80/63/584248063.db2.gz XGPWQYXTMLVUKM-QMMMGPOBSA-N 1 2 230.264 0.394 20 5 BCBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CNOC2)cs1 ZINC000904421672 584882257 /nfs/dbraw/zinc/88/22/57/584882257.db2.gz NLDVEIQSNXQKBT-SSDOTTSWSA-N 1 2 229.261 0.649 20 5 BCBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751946327 585239509 /nfs/dbraw/zinc/23/95/09/585239509.db2.gz UEGFJBPKGOAKKX-VIFPVBQESA-N 1 2 226.236 0.470 20 5 BCBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751946327 585239510 /nfs/dbraw/zinc/23/95/10/585239510.db2.gz UEGFJBPKGOAKKX-VIFPVBQESA-N 1 2 226.236 0.470 20 5 BCBDLO CC(C)C(=O)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791051579 585972488 /nfs/dbraw/zinc/97/24/88/585972488.db2.gz FOJAAEPHLRIQDW-UHFFFAOYSA-N 1 2 243.307 0.453 20 5 BCBDLO CC(C)C(=O)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791051579 585972489 /nfs/dbraw/zinc/97/24/89/585972489.db2.gz FOJAAEPHLRIQDW-UHFFFAOYSA-N 1 2 243.307 0.453 20 5 BCBDLO CCN(CC)C(=O)C[N@H+](C)CC[N+](=O)[O-] ZINC000791054230 585973265 /nfs/dbraw/zinc/97/32/65/585973265.db2.gz RXWREKVCVKBMBG-UHFFFAOYSA-N 1 2 217.269 0.063 20 5 BCBDLO CCN(CC)C(=O)C[N@@H+](C)CC[N+](=O)[O-] ZINC000791054230 585973266 /nfs/dbraw/zinc/97/32/66/585973266.db2.gz RXWREKVCVKBMBG-UHFFFAOYSA-N 1 2 217.269 0.063 20 5 BCBDLO C[C@]([NH2+]CC[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000791055763 585973282 /nfs/dbraw/zinc/97/32/82/585973282.db2.gz XALLOLOZSHLVHA-LLVKDONJSA-N 1 2 237.259 0.253 20 5 BCBDLO Cc1nnc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000791053271 585973378 /nfs/dbraw/zinc/97/33/78/585973378.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nnc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000791053271 585973379 /nfs/dbraw/zinc/97/33/79/585973379.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053271 585973380 /nfs/dbraw/zinc/97/33/80/585973380.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053271 585973381 /nfs/dbraw/zinc/97/33/81/585973381.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000791053271 585973382 /nfs/dbraw/zinc/97/33/82/585973382.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1nc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000791053271 585973383 /nfs/dbraw/zinc/97/33/83/585973383.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 1 2 239.279 0.569 20 5 BCBDLO Cc1noc(C[N@@H+]2CC=C[C@@H]2CO)c1[N+](=O)[O-] ZINC000880494630 591073040 /nfs/dbraw/zinc/07/30/40/591073040.db2.gz PWUIEWFVIDUZOA-MRVPVSSYSA-N 1 2 239.231 0.624 20 5 BCBDLO Cc1noc(C[N@H+]2CC=C[C@@H]2CO)c1[N+](=O)[O-] ZINC000880494630 591073046 /nfs/dbraw/zinc/07/30/46/591073046.db2.gz PWUIEWFVIDUZOA-MRVPVSSYSA-N 1 2 239.231 0.624 20 5 BCBDLO CC[C@H]1C[N@H+](CC[N+](=O)[O-])[C@H](C)CO1 ZINC000930852759 634136681 /nfs/dbraw/zinc/13/66/81/634136681.db2.gz PJRLRIFCLUPKRL-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@H](C)CO1 ZINC000930852759 634136685 /nfs/dbraw/zinc/13/66/85/634136685.db2.gz PJRLRIFCLUPKRL-BDAKNGLRSA-N 1 2 202.254 0.762 20 5 BCBDLO Cc1cnc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905140532 637648081 /nfs/dbraw/zinc/64/80/81/637648081.db2.gz WJZMBSGHMYNMMO-UHFFFAOYSA-N 1 2 201.251 0.818 20 5 BCBDLO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])c2nccn21 ZINC000905281328 637734928 /nfs/dbraw/zinc/73/49/28/637734928.db2.gz UBLRJJXWOMHVMF-HTQZYQBOSA-N 1 2 210.237 0.755 20 5 BCBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930606177 639819480 /nfs/dbraw/zinc/81/94/80/639819480.db2.gz LBVVJOSBEZGHIF-SECBINFHSA-N 1 2 245.279 0.426 20 5 BCBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930606177 639819482 /nfs/dbraw/zinc/81/94/82/639819482.db2.gz LBVVJOSBEZGHIF-SECBINFHSA-N 1 2 245.279 0.426 20 5 BCBDLO Cc1nnc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000930724397 639879036 /nfs/dbraw/zinc/87/90/36/639879036.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1nnc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)[nH]1 ZINC000930724397 639879039 /nfs/dbraw/zinc/87/90/39/639879039.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000930724397 639879041 /nfs/dbraw/zinc/87/90/41/639879041.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 1 2 225.252 0.179 20 5 BCBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000930724397 639879045 /nfs/dbraw/zinc/87/90/45/639879045.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 1 2 225.252 0.179 20 5 BCBDLO O=[N+]([O-])CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000931477066 640230533 /nfs/dbraw/zinc/23/05/33/640230533.db2.gz RHVMETGREAQRLX-NKWVEPMBSA-N 1 2 242.197 0.366 20 5 BCBDLO O=[N+]([O-])CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000931477066 640230541 /nfs/dbraw/zinc/23/05/41/640230541.db2.gz RHVMETGREAQRLX-NKWVEPMBSA-N 1 2 242.197 0.366 20 5 BCBDLO Cn1nccc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932261994 640463381 /nfs/dbraw/zinc/46/33/81/640463381.db2.gz MFVFHKWHFFUXSP-SNVBAGLBSA-N 1 2 224.264 0.834 20 5 BCBDLO Cn1nccc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932261994 640463386 /nfs/dbraw/zinc/46/33/86/640463386.db2.gz MFVFHKWHFFUXSP-SNVBAGLBSA-N 1 2 224.264 0.834 20 5 BCBDLO Cn1nccc1C1=CC[N@H+](CC[N+](=O)[O-])CC1 ZINC000930446171 712712602 /nfs/dbraw/zinc/71/26/02/712712602.db2.gz NRYRCDUWJYZWIJ-UHFFFAOYSA-N 1 2 236.275 0.786 20 5 BCBDLO Cn1nccc1C1=CC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930446171 712712603 /nfs/dbraw/zinc/71/26/03/712712603.db2.gz NRYRCDUWJYZWIJ-UHFFFAOYSA-N 1 2 236.275 0.786 20 5 BCBDLO