smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001298621798 1064394369 /nfs/dbraw/zinc/39/43/69/1064394369.db2.gz TVTRVLWJPWJTJF-ICSRJNTNSA-N 0 1 454.531 3.265 20 5 JGBDMN COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001300957783 1065763742 /nfs/dbraw/zinc/76/37/42/1065763742.db2.gz IZBGBXLSAGTNRX-QMHWCDLVSA-N 0 1 496.616 3.389 20 5 JGBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001301057497 1065909393 /nfs/dbraw/zinc/90/93/93/1065909393.db2.gz DXHPXKHLQJZXIW-QZTJIDSGSA-N 0 1 451.401 3.037 20 5 JGBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)cnn2C(C)C)n1 ZINC001301214008 1066037222 /nfs/dbraw/zinc/03/72/22/1066037222.db2.gz SXCXELSSZAARPH-UHFFFAOYSA-N 0 1 458.319 3.153 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCSC2)C[C@@H]1C ZINC001301886311 1066897468 /nfs/dbraw/zinc/89/74/68/1066897468.db2.gz VBFQXWZMFCRSFD-ZWKOTPCHSA-N 0 1 460.604 3.153 20 5 JGBDMN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001304048541 1067091118 /nfs/dbraw/zinc/09/11/18/1067091118.db2.gz FTEWIMOQTMJDPH-UHFFFAOYSA-N 0 1 459.812 3.126 20 5 JGBDMN CC(C)CN1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201836 1067737781 /nfs/dbraw/zinc/73/77/81/1067737781.db2.gz PWVWFFLTNMBOPE-SFHVURJKSA-N 0 1 452.506 3.302 20 5 JGBDMN CC[C@@H](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN2CCOCC2)C1)OC ZINC001305346564 1068586546 /nfs/dbraw/zinc/58/65/46/1068586546.db2.gz FXPGCJLYIFEDDQ-TXTKFYIRSA-N 0 1 486.617 3.463 20 5 JGBDMN COC(=O)c1nc(Cl)nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692275 719805323 /nfs/dbraw/zinc/80/53/23/719805323.db2.gz MGWOCDHBHOXLCL-UHFFFAOYSA-N 0 1 466.951 3.225 20 5 JGBDMN CCOC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164906928 721585322 /nfs/dbraw/zinc/58/53/22/721585322.db2.gz PGZWHQXNDAKNLO-HXUWFJFHSA-N 0 1 496.902 3.348 20 5 JGBDMN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964033 722054323 /nfs/dbraw/zinc/05/43/23/722054323.db2.gz RAKIQXXUDRVSAP-UHFFFAOYSA-N 0 1 453.330 3.206 20 5 JGBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001301058523 1065910946 /nfs/dbraw/zinc/91/09/46/1065910946.db2.gz IWXAUWUWIAINKF-NVXWUHKLSA-N 0 1 451.401 3.280 20 5 JGBDMN CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCCO1)N1CCOCC1 ZINC001302513412 1067128097 /nfs/dbraw/zinc/12/80/97/1067128097.db2.gz KBDLGFWTBSGCQO-FCHUYYIVSA-N 0 1 472.590 3.215 20 5 JGBDMN CC(C)[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cnn(C)c1 ZINC001304384466 1067435260 /nfs/dbraw/zinc/43/52/60/1067435260.db2.gz LQHPUHZVCGWGEF-HXUWFJFHSA-N 0 1 457.512 3.256 20 5 JGBDMN CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001302896298 1067477470 /nfs/dbraw/zinc/47/74/70/1067477470.db2.gz HAFNNTAWLKBPGO-GOSISDBHSA-N 0 1 456.551 3.319 20 5 JGBDMN CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001303072843 1067607338 /nfs/dbraw/zinc/60/73/38/1067607338.db2.gz GMXRPAHIUIXGJR-HSZRJFAPSA-N 0 1 485.633 3.131 20 5 JGBDMN CC(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001303311950 1067841072 /nfs/dbraw/zinc/84/10/72/1067841072.db2.gz RZHVOSWYSXPJOP-UHFFFAOYSA-N 0 1 473.484 3.428 20 5 JGBDMN CCc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896118 721440153 /nfs/dbraw/zinc/44/01/53/721440153.db2.gz QOJMOIXFCRKKHC-BVAGGSTKSA-N 0 1 480.613 3.380 20 5 JGBDMN CCc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896122 721440882 /nfs/dbraw/zinc/44/08/82/721440882.db2.gz QOJMOIXFCRKKHC-OZXSUGGESA-N 0 1 480.613 3.380 20 5 JGBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899790 721444207 /nfs/dbraw/zinc/44/42/07/721444207.db2.gz ZBRUOMIASCOBLM-NTKDMRAZSA-N 0 1 487.004 3.471 20 5 JGBDMN CCc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165009457 721746601 /nfs/dbraw/zinc/74/66/01/721746601.db2.gz DQTOZMFPSKUROU-UHFFFAOYSA-N 0 1 452.559 3.137 20 5 JGBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164940200 721928629 /nfs/dbraw/zinc/92/86/29/721928629.db2.gz ROAVQLPZHYXQLM-UHFFFAOYSA-N 0 1 454.527 3.346 20 5 JGBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164960539 722053154 /nfs/dbraw/zinc/05/31/54/722053154.db2.gz RQZZSYMJUYNUIK-UHFFFAOYSA-N 0 1 464.979 3.274 20 5 JGBDMN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164978280 722108425 /nfs/dbraw/zinc/10/84/25/722108425.db2.gz ODTXLURHKGTYJK-UZLBHIALSA-N 0 1 454.918 3.314 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301884831 1066893348 /nfs/dbraw/zinc/89/33/48/1066893348.db2.gz CYJOSIWCHJSNSO-PXNSSMCTSA-N 0 1 460.579 3.071 20 5 JGBDMN CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCOCC1 ZINC001302514664 1067131385 /nfs/dbraw/zinc/13/13/85/1067131385.db2.gz FEZZINFLVUDFHA-QHCPKHFHSA-N 0 1 496.616 3.359 20 5 JGBDMN CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC001302520867 1067140149 /nfs/dbraw/zinc/14/01/49/1067140149.db2.gz XTZBDCAKFFRIKK-HSZRJFAPSA-N 0 1 479.585 3.284 20 5 JGBDMN Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CCN2CCSCC2)o1 ZINC001304302934 1067351030 /nfs/dbraw/zinc/35/10/30/1067351030.db2.gz HXNZWOPECVONJQ-UHFFFAOYSA-N 0 1 456.572 3.482 20 5 JGBDMN CCN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2F)CC1 ZINC001302857365 1067440025 /nfs/dbraw/zinc/44/00/25/1067440025.db2.gz DXZINLSUDVXRGJ-UHFFFAOYSA-N 0 1 453.474 3.442 20 5 JGBDMN CC(C)CN1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001303204624 1067741712 /nfs/dbraw/zinc/74/17/12/1067741712.db2.gz KUKLWOLIXRKZCO-HSZRJFAPSA-N 0 1 479.585 3.284 20 5 JGBDMN Cc1n[nH]c(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC=C(Br)C2)n1 ZINC001304680611 1067753632 /nfs/dbraw/zinc/75/36/32/1067753632.db2.gz RRVNLQXQRPGDHJ-UHFFFAOYSA-N 0 1 459.308 3.011 20 5 JGBDMN Cc1nnc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC=C(Br)C2)[nH]1 ZINC001304680611 1067753635 /nfs/dbraw/zinc/75/36/35/1067753635.db2.gz RRVNLQXQRPGDHJ-UHFFFAOYSA-N 0 1 459.308 3.011 20 5 JGBDMN C[C@@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001305114585 1068193032 /nfs/dbraw/zinc/19/30/32/1068193032.db2.gz SRVKXQSATJZKRF-QZTJIDSGSA-N 0 1 480.573 3.168 20 5 JGBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CC2 ZINC001164690574 719758542 /nfs/dbraw/zinc/75/85/42/719758542.db2.gz FBYCFAMQZNDYEU-UHFFFAOYSA-N 0 1 494.930 3.431 20 5 JGBDMN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164855558 720929014 /nfs/dbraw/zinc/92/90/14/720929014.db2.gz IMAQHUIKLXUHMU-ZDUSSCGKSA-N 0 1 450.927 3.438 20 5 JGBDMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780116 721347267 /nfs/dbraw/zinc/34/72/67/721347267.db2.gz ZUZKFAYAPOPBFC-QHCPKHFHSA-N 0 1 452.515 3.262 20 5 JGBDMN Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898333 721439451 /nfs/dbraw/zinc/43/94/51/721439451.db2.gz VQRKUEUPXJZKFN-RCZVLFRGSA-N 0 1 466.586 3.126 20 5 JGBDMN CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939271 721920844 /nfs/dbraw/zinc/92/08/44/721920844.db2.gz TZZQVEMAYTXHQV-UHFFFAOYSA-N 0 1 489.960 3.395 20 5 JGBDMN CCOC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939400 721933324 /nfs/dbraw/zinc/93/33/24/721933324.db2.gz KIHCZUNYHACISB-UHFFFAOYSA-N 0 1 454.527 3.346 20 5 JGBDMN Cn1ccnc1[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC001301127997 1065970066 /nfs/dbraw/zinc/97/00/66/1065970066.db2.gz GTDBAIPJKIDNBY-INIZCTEOSA-N 0 1 455.272 3.487 20 5 JGBDMN COCc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)C)CC2)cs1 ZINC001301206939 1066030718 /nfs/dbraw/zinc/03/07/18/1066030718.db2.gz MCGULWKVALAZOG-UHFFFAOYSA-N 0 1 457.560 3.035 20 5 JGBDMN CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCCO1)N1CCOCC1 ZINC001302513413 1067128279 /nfs/dbraw/zinc/12/82/79/1067128279.db2.gz KBDLGFWTBSGCQO-FGZHOGPDSA-N 0 1 472.590 3.215 20 5 JGBDMN CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C)N1CCOCC1 ZINC001302514120 1067130062 /nfs/dbraw/zinc/13/00/62/1067130062.db2.gz NZHZCRFHDIJHQN-GHTZIAJQSA-N 0 1 472.590 3.214 20 5 JGBDMN CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C)N1CCOCC1 ZINC001302514121 1067130099 /nfs/dbraw/zinc/13/00/99/1067130099.db2.gz NZHZCRFHDIJHQN-RXVVDRJESA-N 0 1 472.590 3.214 20 5 JGBDMN CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCN1CCOCC1 ZINC001302695612 1067321111 /nfs/dbraw/zinc/32/11/11/1067321111.db2.gz HGBRWTICJAZVLC-HXUWFJFHSA-N 0 1 460.604 3.298 20 5 JGBDMN O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC001302786578 1067378723 /nfs/dbraw/zinc/37/87/23/1067378723.db2.gz UHKILYQLZCFGQE-HKBOAZHASA-N 0 1 459.524 3.161 20 5 JGBDMN C[C@@H]1CCC(=O)CN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001304335601 1067382120 /nfs/dbraw/zinc/38/21/20/1067382120.db2.gz RMZZBVVQGVZMHD-GFCCVEGCSA-N 0 1 451.888 3.243 20 5 JGBDMN CC(C)CN1CCO[C@H](Cn2c(-c3cccnc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001303204625 1067741797 /nfs/dbraw/zinc/74/17/97/1067741797.db2.gz KUKLWOLIXRKZCO-QHCPKHFHSA-N 0 1 479.585 3.284 20 5 JGBDMN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164855556 720929854 /nfs/dbraw/zinc/92/98/54/720929854.db2.gz IMAQHUIKLXUHMU-CYBMUJFWSA-N 0 1 450.927 3.438 20 5 JGBDMN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901457 721515178 /nfs/dbraw/zinc/51/51/78/721515178.db2.gz XPITTYKZIIYCEL-GOEBONIOSA-N 0 1 464.881 3.301 20 5 JGBDMN O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981659 722142385 /nfs/dbraw/zinc/14/23/85/722142385.db2.gz PXUYXKUPUPORGV-UONOGXRCSA-N 0 1 472.855 3.179 20 5 JGBDMN O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981656 722142615 /nfs/dbraw/zinc/14/26/15/722142615.db2.gz PXUYXKUPUPORGV-KGLIPLIRSA-N 0 1 472.855 3.179 20 5 JGBDMN CN(Cc1cscn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCN1CCOCC1 ZINC001298432022 1064249157 /nfs/dbraw/zinc/24/91/57/1064249157.db2.gz JKKTUYWWPYGOFE-UHFFFAOYSA-N 0 1 457.560 3.059 20 5 JGBDMN C[N@H+]1C[C@@H](CNC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])[C@H](c2ccccc2)C1 ZINC001299849980 1065052947 /nfs/dbraw/zinc/05/29/47/1065052947.db2.gz TXHCLCQZHSNDCQ-WBVHZDCISA-N 0 1 455.902 3.215 20 5 JGBDMN COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301296725 1066101825 /nfs/dbraw/zinc/10/18/25/1066101825.db2.gz AWDIWWJSJIQDFV-OALUTQOASA-N 0 1 472.590 3.215 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)C[C@@H]1C ZINC001301885230 1066894057 /nfs/dbraw/zinc/89/40/57/1066894057.db2.gz GWZNLERYMRUYOB-INIZCTEOSA-N 0 1 471.949 3.107 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301886198 1066896414 /nfs/dbraw/zinc/89/64/14/1066896414.db2.gz SISGBUGOWBBDBR-KBMIEXCESA-N 0 1 486.617 3.342 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301886200 1066896477 /nfs/dbraw/zinc/89/64/77/1066896477.db2.gz SISGBUGOWBBDBR-UQBPGWFLSA-N 0 1 486.617 3.342 20 5 JGBDMN CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCOCC1 ZINC001302514662 1067131324 /nfs/dbraw/zinc/13/13/24/1067131324.db2.gz FEZZINFLVUDFHA-HSZRJFAPSA-N 0 1 496.616 3.359 20 5 JGBDMN CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCN1CCOCC1 ZINC001302695611 1067321148 /nfs/dbraw/zinc/32/11/48/1067321148.db2.gz HGBRWTICJAZVLC-FQEVSTJZSA-N 0 1 460.604 3.298 20 5 JGBDMN CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OC)C1)N1CCOCC1 ZINC001305705228 1069092638 /nfs/dbraw/zinc/09/26/38/1069092638.db2.gz PAPVSWLXFJFQTO-YADHBBJMSA-N 0 1 472.590 3.215 20 5 JGBDMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164784263 721373168 /nfs/dbraw/zinc/37/31/68/721373168.db2.gz RCCWLZVBPFXICF-HSZRJFAPSA-N 0 1 452.515 3.262 20 5 JGBDMN Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898639 721426355 /nfs/dbraw/zinc/42/63/55/721426355.db2.gz WGKXKKQVIRLWOC-PXDATVDWSA-N 0 1 466.586 3.126 20 5 JGBDMN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901456 721515673 /nfs/dbraw/zinc/51/56/73/721515673.db2.gz XPITTYKZIIYCEL-GDBMZVCRSA-N 0 1 464.881 3.301 20 5 JGBDMN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164978265 722108246 /nfs/dbraw/zinc/10/82/46/722108246.db2.gz ODTXLURHKGTYJK-JXFKEZNVSA-N 0 1 454.918 3.314 20 5 JGBDMN CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCc2sccc2C1 ZINC001298209120 1064127110 /nfs/dbraw/zinc/12/71/10/1064127110.db2.gz QUSGETWDOQIJGF-UHFFFAOYSA-N 0 1 497.625 3.324 20 5 JGBDMN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(Nc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC001301597055 1066440903 /nfs/dbraw/zinc/44/09/03/1066440903.db2.gz AJNRFHAZVYOUDV-QHCPKHFHSA-N 0 1 459.506 3.385 20 5 JGBDMN O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001302786576 1067378271 /nfs/dbraw/zinc/37/82/71/1067378271.db2.gz UHKILYQLZCFGQE-ACRUOGEOSA-N 0 1 459.524 3.161 20 5 JGBDMN CC(C)OCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)CC1 ZINC001303570329 1068094277 /nfs/dbraw/zinc/09/42/77/1068094277.db2.gz QKKZCMQBWXZCNW-HXUWFJFHSA-N 0 1 492.671 3.249 20 5 JGBDMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2)cc1[N+](=O)[O-] ZINC001303598784 1068124768 /nfs/dbraw/zinc/12/47/68/1068124768.db2.gz JEHNJTWFNOPEHC-RBUKOAKNSA-N 0 1 458.540 3.013 20 5 JGBDMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)cc1[N+](=O)[O-] ZINC001303598784 1068124774 /nfs/dbraw/zinc/12/47/74/1068124774.db2.gz JEHNJTWFNOPEHC-RBUKOAKNSA-N 0 1 458.540 3.013 20 5 JGBDMN C[C@H](Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC001303758956 1068323174 /nfs/dbraw/zinc/32/31/74/1068323174.db2.gz LOSMNNWYKOAUBN-IBGZPJMESA-N 0 1 456.591 3.491 20 5 JGBDMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776371 721347158 /nfs/dbraw/zinc/34/71/58/721347158.db2.gz ATAJVZJKDGCKGZ-QHCPKHFHSA-N 0 1 452.515 3.262 20 5 JGBDMN Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898642 721426110 /nfs/dbraw/zinc/42/61/10/721426110.db2.gz WGKXKKQVIRLWOC-SQJMNOBHSA-N 0 1 466.586 3.126 20 5 JGBDMN O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981653 722142368 /nfs/dbraw/zinc/14/23/68/722142368.db2.gz PXUYXKUPUPORGV-KBPBESRZSA-N 0 1 472.855 3.179 20 5 JGBDMN CNc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001301057738 1065909365 /nfs/dbraw/zinc/90/93/65/1065909365.db2.gz HXTNTAOJRYHHIJ-NVXWUHKLSA-N 0 1 450.417 3.313 20 5 JGBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001301181530 1066012175 /nfs/dbraw/zinc/01/21/75/1066012175.db2.gz LQSAMBUPYGFSHS-QHCPKHFHSA-N 0 1 455.515 3.469 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301886196 1066896796 /nfs/dbraw/zinc/89/67/96/1066896796.db2.gz SISGBUGOWBBDBR-DFBJGRDBSA-N 0 1 486.617 3.342 20 5 JGBDMN CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001302599204 1067235757 /nfs/dbraw/zinc/23/57/57/1067235757.db2.gz ICVMRSMPSTVPCE-UHFFFAOYSA-N 0 1 460.604 3.296 20 5 JGBDMN CC(C)CN1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201835 1067737901 /nfs/dbraw/zinc/73/79/01/1067737901.db2.gz PWVWFFLTNMBOPE-GOSISDBHSA-N 0 1 452.506 3.302 20 5 JGBDMN Cc1cc(C(=O)NCC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC001305034097 1068091167 /nfs/dbraw/zinc/09/11/67/1068091167.db2.gz YYOHZQZVXCZDMB-UHFFFAOYSA-N 0 1 450.224 3.050 20 5 JGBDMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776366 721347464 /nfs/dbraw/zinc/34/74/64/721347464.db2.gz ATAJVZJKDGCKGZ-HSZRJFAPSA-N 0 1 452.515 3.262 20 5 JGBDMN COc1cc2ncnc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779108 721351162 /nfs/dbraw/zinc/35/11/62/721351162.db2.gz RAEWPCKNUAXGNG-DEOSSOPVSA-N 0 1 482.541 3.270 20 5 JGBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899788 721444322 /nfs/dbraw/zinc/44/43/22/721444322.db2.gz ZBRUOMIASCOBLM-DVECYGJZSA-N 0 1 487.004 3.471 20 5 JGBDMN CSc1nc(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962992 722056818 /nfs/dbraw/zinc/05/68/18/722056818.db2.gz GOBNYPBPYHJIPR-UHFFFAOYSA-N 0 1 464.979 3.274 20 5 JGBDMN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Nc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC001301597053 1066440811 /nfs/dbraw/zinc/44/08/11/1066440811.db2.gz AJNRFHAZVYOUDV-HSZRJFAPSA-N 0 1 459.506 3.385 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884833 1066893567 /nfs/dbraw/zinc/89/35/67/1066893567.db2.gz CYJOSIWCHJSNSO-YLJYHZDGSA-N 0 1 460.579 3.071 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)C[C@H]1C ZINC001301885964 1066895972 /nfs/dbraw/zinc/89/59/72/1066895972.db2.gz OTXGLPXGXIANEE-QGZVFWFLSA-N 0 1 456.572 3.314 20 5 JGBDMN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCOCC1 ZINC001304080018 1067125230 /nfs/dbraw/zinc/12/52/30/1067125230.db2.gz WLUBTMXOGMLPIO-INIZCTEOSA-N 0 1 471.587 3.223 20 5 JGBDMN CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCOCC1 ZINC001302516444 1067135203 /nfs/dbraw/zinc/13/52/03/1067135203.db2.gz SRRVXDACJGUIBF-QHCPKHFHSA-N 0 1 494.600 3.415 20 5 JGBDMN CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001305452803 1068689483 /nfs/dbraw/zinc/68/94/83/1068689483.db2.gz KXNRDZKARCUUCF-QRVBRYPASA-N 0 1 474.610 3.237 20 5 JGBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164690618 719757616 /nfs/dbraw/zinc/75/76/16/719757616.db2.gz GFDSLAIHIOJXBN-UHFFFAOYSA-N 0 1 494.930 3.431 20 5 JGBDMN COc1cc2ncnc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779109 721351722 /nfs/dbraw/zinc/35/17/22/721351722.db2.gz RAEWPCKNUAXGNG-XMMPIXPASA-N 0 1 482.541 3.270 20 5 JGBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899786 721444292 /nfs/dbraw/zinc/44/42/92/721444292.db2.gz ZBRUOMIASCOBLM-CYFREDJKSA-N 0 1 487.004 3.471 20 5 JGBDMN CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001298621749 1064393455 /nfs/dbraw/zinc/39/34/55/1064393455.db2.gz SFNLJWOMDPFIAH-ICSRJNTNSA-N 0 1 483.598 3.181 20 5 JGBDMN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001298621800 1064394343 /nfs/dbraw/zinc/39/43/43/1064394343.db2.gz TVTRVLWJPWJTJF-UYAOXDASSA-N 0 1 454.531 3.265 20 5 JGBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4n[nH]cc4C3)cc2)cc1[N+](=O)[O-] ZINC001301598937 1066442607 /nfs/dbraw/zinc/44/26/07/1066442607.db2.gz LKBXDGSMVMCWEO-UHFFFAOYSA-N 0 1 455.496 3.016 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884832 1066893526 /nfs/dbraw/zinc/89/35/26/1066893526.db2.gz CYJOSIWCHJSNSO-XLIONFOSSA-N 0 1 460.579 3.071 20 5 JGBDMN CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001302896299 1067477462 /nfs/dbraw/zinc/47/74/62/1067477462.db2.gz HAFNNTAWLKBPGO-SFHVURJKSA-N 0 1 456.551 3.319 20 5 JGBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CC2 ZINC001164690504 719758819 /nfs/dbraw/zinc/75/88/19/719758819.db2.gz CXOZXXFEOFYDCJ-UHFFFAOYSA-N 0 1 494.930 3.431 20 5 JGBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907065 721714187 /nfs/dbraw/zinc/71/41/87/721714187.db2.gz PZNAEMZPEFTZFJ-OAQYLSRUSA-N 0 1 461.469 3.299 20 5 JGBDMN CCOC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164912810 721732851 /nfs/dbraw/zinc/73/28/51/721732851.db2.gz QLIFLBGVDHSVNG-NRFANRHFSA-N 0 1 461.469 3.299 20 5 JGBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165013321 721748112 /nfs/dbraw/zinc/74/81/12/721748112.db2.gz XWBNYDBVXBHKJF-UHFFFAOYSA-N 0 1 458.950 3.228 20 5 JGBDMN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001298544403 1064304533 /nfs/dbraw/zinc/30/45/33/1064304533.db2.gz DKRHFCJBYMQULD-UHFFFAOYSA-N 0 1 457.874 3.354 20 5 JGBDMN COC[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001300957782 1065763662 /nfs/dbraw/zinc/76/36/62/1065763662.db2.gz IZBGBXLSAGTNRX-GREBRCKQSA-N 0 1 496.616 3.389 20 5 JGBDMN O=C(N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001301057770 1065909414 /nfs/dbraw/zinc/90/94/14/1065909414.db2.gz JGAQSHLJXKIFIB-NVXWUHKLSA-N 0 1 479.411 3.043 20 5 JGBDMN COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301296724 1066101814 /nfs/dbraw/zinc/10/18/14/1066101814.db2.gz AWDIWWJSJIQDFV-KDURUIRLSA-N 0 1 472.590 3.215 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001301886337 1066897123 /nfs/dbraw/zinc/89/71/23/1066897123.db2.gz VPGGKGJTRMETNH-HNNXBMFYSA-N 0 1 450.490 3.056 20 5 JGBDMN C[C@@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001305114583 1068192947 /nfs/dbraw/zinc/19/29/47/1068192947.db2.gz SRVKXQSATJZKRF-HDICACEKSA-N 0 1 480.573 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O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971383 722108229 /nfs/dbraw/zinc/10/82/29/722108229.db2.gz BUGSOJJCJZNSHO-IERDGZPVSA-N 0 1 454.918 3.314 20 5 JGBDMN CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001298621750 1064393528 /nfs/dbraw/zinc/39/35/28/1064393528.db2.gz SFNLJWOMDPFIAH-QUCCMNQESA-N 0 1 483.598 3.181 20 5 JGBDMN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001298621799 1064394212 /nfs/dbraw/zinc/39/42/12/1064394212.db2.gz TVTRVLWJPWJTJF-QUCCMNQESA-N 0 1 454.531 3.265 20 5 JGBDMN CC(C)c1n[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001301058634 1065910779 /nfs/dbraw/zinc/91/07/79/1065910779.db2.gz JSVKGYPSFQXEDL-ZIAGYGMSSA-N 0 1 453.421 3.118 20 5 JGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001301058634 1065910804 /nfs/dbraw/zinc/91/08/04/1065910804.db2.gz JSVKGYPSFQXEDL-ZIAGYGMSSA-N 0 1 453.421 3.118 20 5 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O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC001304555429 1067624165 /nfs/dbraw/zinc/62/41/65/1067624165.db2.gz VLURHPDDJUVIDH-CVEARBPZSA-N 0 1 458.272 3.091 20 5 JGBDMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC001304555429 1067624166 /nfs/dbraw/zinc/62/41/66/1067624166.db2.gz VLURHPDDJUVIDH-CVEARBPZSA-N 0 1 458.272 3.091 20 5 JGBDMN O=[N+]([O-])c1cccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2C[C@H]2CCCO2)c1 ZINC001303135902 1067676839 /nfs/dbraw/zinc/67/68/39/1067676839.db2.gz ZXCKCESEWXDUIU-LJQANCHMSA-N 0 1 498.506 3.123 20 5 JGBDMN C[C@@H](Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC001303758957 1068323118 /nfs/dbraw/zinc/32/31/18/1068323118.db2.gz LOSMNNWYKOAUBN-LJQANCHMSA-N 0 1 456.591 3.491 20 5 JGBDMN CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001298621797 1064394407 /nfs/dbraw/zinc/39/44/07/1064394407.db2.gz TVTRVLWJPWJTJF-AZUAARDMSA-N 0 1 454.531 3.265 20 5 JGBDMN COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001301296726 1066101768 /nfs/dbraw/zinc/10/17/68/1066101768.db2.gz AWDIWWJSJIQDFV-RTBURBONSA-N 0 1 472.590 3.215 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)C[C@H]1C ZINC001301885231 1066894227 /nfs/dbraw/zinc/89/42/27/1066894227.db2.gz GWZNLERYMRUYOB-MRXNPFEDSA-N 0 1 471.949 3.107 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C[C@H]1C ZINC001301886306 1066896741 /nfs/dbraw/zinc/89/67/41/1066896741.db2.gz VBFQXWZMFCRSFD-MSOLQXFVSA-N 0 1 460.604 3.153 20 5 JGBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001302657302 1067285683 /nfs/dbraw/zinc/28/56/83/1067285683.db2.gz RBJVYSHOCIQWRK-FUHWJXTLSA-N 0 1 473.530 3.412 20 5 JGBDMN Cc1csc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CCOC(C)C)CC2)n1 ZINC001304631405 1067701378 /nfs/dbraw/zinc/70/13/78/1067701378.db2.gz NGUBVQCLHSBFPL-UHFFFAOYSA-N 0 1 471.587 3.214 20 5 JGBDMN CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001303224745 1067761624 /nfs/dbraw/zinc/76/16/24/1067761624.db2.gz VHPBPCASAFDOFP-XZOQPEGZSA-N 0 1 486.617 3.461 20 5 JGBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899792 721444240 /nfs/dbraw/zinc/44/42/40/721444240.db2.gz ZBRUOMIASCOBLM-YADARESESA-N 0 1 487.004 3.471 20 5 JGBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907060 721714571 /nfs/dbraw/zinc/71/45/71/721714571.db2.gz PZNAEMZPEFTZFJ-NRFANRHFSA-N 0 1 461.469 3.299 20 5 JGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971384 722108260 /nfs/dbraw/zinc/10/82/60/722108260.db2.gz BUGSOJJCJZNSHO-IIBYNOLFSA-N 0 1 454.918 3.314 20 5 JGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971385 722108440 /nfs/dbraw/zinc/10/84/40/722108440.db2.gz BUGSOJJCJZNSHO-KKSFZXQISA-N 0 1 454.918 3.314 20 5 JGBDMN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001298621751 1064393370 /nfs/dbraw/zinc/39/33/70/1064393370.db2.gz SFNLJWOMDPFIAH-UYAOXDASSA-N 0 1 483.598 3.181 20 5 JGBDMN O=C(NCCC1SCCS1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001301420113 1066212907 /nfs/dbraw/zinc/21/29/07/1066212907.db2.gz LPFCTVISJIURKH-UHFFFAOYSA-N 0 1 453.567 3.322 20 5 JGBDMN COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301884830 1066893307 /nfs/dbraw/zinc/89/33/07/1066893307.db2.gz CYJOSIWCHJSNSO-FXAWDEMLSA-N 0 1 460.579 3.071 20 5 JGBDMN CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCCO1)N1CCOCC1 ZINC001302513575 1067128154 /nfs/dbraw/zinc/12/81/54/1067128154.db2.gz KBDLGFWTBSGCQO-VXKWHMMOSA-N 0 1 472.590 3.215 20 5 JGBDMN CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001302549458 1067185940 /nfs/dbraw/zinc/18/59/40/1067185940.db2.gz YJPJFSVOTLZNOX-QGZVFWFLSA-N 0 1 470.603 3.051 20 5 JGBDMN CC(C)[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cnn(C)c1 ZINC001304384462 1067435309 /nfs/dbraw/zinc/43/53/09/1067435309.db2.gz LQHPUHZVCGWGEF-FQEVSTJZSA-N 0 1 457.512 3.256 20 5 JGBDMN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001303224742 1067761632 /nfs/dbraw/zinc/76/16/32/1067761632.db2.gz VHPBPCASAFDOFP-DHIUTWEWSA-N 0 1 486.617 3.461 20 5 JGBDMN CC[C@H](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN2CCOCC2)C1)OC ZINC001305346562 1068586519 /nfs/dbraw/zinc/58/65/19/1068586519.db2.gz FXPGCJLYIFEDDQ-MZKRTTBSSA-N 0 1 486.617 3.463 20 5 JGBDMN CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001305452802 1068689522 /nfs/dbraw/zinc/68/95/22/1068689522.db2.gz KXNRDZKARCUUCF-IPMKNSEASA-N 0 1 474.610 3.237 20 5 JGBDMN CN(C)C(=O)CN1CCOCC2(CCN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC2)C1 ZINC001164873545 721273575 /nfs/dbraw/zinc/27/35/75/721273575.db2.gz OFFNSOBSWWWENG-UHFFFAOYSA-N 0 1 468.001 3.443 20 5 JGBDMN 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