smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000588444963 842807038 /nfs/dbraw/zinc/80/70/38/842807038.db2.gz GWXBESZNGWHDHF-BKHFDQEPSA-N 1 0 385.508 3.969 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000588445379 842811165 /nfs/dbraw/zinc/81/11/65/842811165.db2.gz KJFPNMNZECQHRK-TXOBRMIJSA-N 1 0 393.487 3.679 10 5 GHBERO C[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000194475108 888367435 /nfs/dbraw/zinc/36/74/35/888367435.db2.gz DXYWCYANLKUYLB-RDTXWAMCSA-N 1 0 390.465 3.737 10 5 GHBERO C[NH+]1CCC(Nc2ccccc2NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000103252162 898078178 /nfs/dbraw/zinc/07/81/78/898078178.db2.gz STZPVASRGSGCPF-UHFFFAOYSA-N 1 0 393.447 3.835 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000588443821 842770648 /nfs/dbraw/zinc/77/06/48/842770648.db2.gz KVOQAWUYIYQDCG-VLGSPTGOSA-N 1 0 379.460 3.733 10 5 GHBERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000135576290 848155949 /nfs/dbraw/zinc/15/59/49/848155949.db2.gz ARXMTWWEGKHRBM-KRWDZBQOSA-N 1 0 381.436 3.535 10 5 GHBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245502507 856904829 /nfs/dbraw/zinc/90/48/29/856904829.db2.gz FZQUUFLNIQQBLY-UWVAXJGDSA-N 1 0 398.507 3.950 10 5 GHBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245502505 856905109 /nfs/dbraw/zinc/90/51/09/856905109.db2.gz FZQUUFLNIQQBLY-FUHIMQAGSA-N 1 0 398.507 3.950 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245719610 857135892 /nfs/dbraw/zinc/13/58/92/857135892.db2.gz DFXHNFPAZXQVOL-VQIMIIECSA-N 1 0 396.491 3.555 10 5 GHBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000194428614 888324058 /nfs/dbraw/zinc/32/40/58/888324058.db2.gz WBPKSCSVXGCHPY-UHFFFAOYSA-N 1 0 386.339 3.629 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000588435601 842556777 /nfs/dbraw/zinc/55/67/77/842556777.db2.gz HGCTYXRMDAFVEA-VKAVYKQESA-N 1 0 394.475 3.697 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588439246 842737141 /nfs/dbraw/zinc/73/71/41/842737141.db2.gz NACQZFVRXJMONZ-NUVSWBFWSA-N 1 0 393.487 3.979 10 5 GHBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)Cc1ccc(C(=O)NC)cc1 ZINC000246223504 717164250 /nfs/dbraw/zinc/16/42/50/717164250.db2.gz DUWBETKITHMASK-VWLOTQADSA-O 1 0 380.468 3.814 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000120117981 837542783 /nfs/dbraw/zinc/54/27/83/837542783.db2.gz BBKLVPOIYMTZAU-WMZOPIPTSA-N 1 0 397.479 3.639 10 5 GHBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000102929089 838270266 /nfs/dbraw/zinc/27/02/66/838270266.db2.gz XAUPTBAGSXMHIJ-SFHVURJKSA-N 1 0 397.431 3.798 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(O)(c4ccccc4)CC3)o2)c1 ZINC000185499496 860608306 /nfs/dbraw/zinc/60/83/06/860608306.db2.gz NGBXIOYRKIWIPN-UHFFFAOYSA-N 1 0 393.443 3.776 10 5 GHBERO COc1ccccc1CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710368 838900029 /nfs/dbraw/zinc/90/00/29/838900029.db2.gz JVUAMZYVSVCALV-CQSZACIVSA-N 1 0 382.420 3.889 10 5 GHBERO O=C1Nc2ccccc2[C@@H]1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314643 857423551 /nfs/dbraw/zinc/42/35/51/857423551.db2.gz FJZXXWZUYJBQSV-KRWDZBQOSA-N 1 0 394.456 3.934 10 5 GHBERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126126523 860949988 /nfs/dbraw/zinc/94/99/88/860949988.db2.gz IEZCWAOEUQRFFF-WTNAPCKOSA-N 1 0 394.519 3.811 10 5 GHBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)Cc1cccc(C(=O)NC)c1 ZINC000246357563 717164355 /nfs/dbraw/zinc/16/43/55/717164355.db2.gz KNPASSLEMPVHLO-RUZDIDTESA-O 1 0 380.468 3.814 10 5 GHBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520807 838161060 /nfs/dbraw/zinc/16/10/60/838161060.db2.gz QRUDSVUCHDQRMT-CQSZACIVSA-N 1 0 379.420 3.980 10 5 GHBERO Cc1csc(C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)n1 ZINC000128436426 838519525 /nfs/dbraw/zinc/51/95/25/838519525.db2.gz FZSMNKBQRNBSRK-UHFFFAOYSA-N 1 0 392.456 3.707 10 5 GHBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000127884453 847628903 /nfs/dbraw/zinc/62/89/03/847628903.db2.gz PDEHRWQAZMYBPE-YJBOKZPZSA-N 1 0 397.479 3.639 10 5 GHBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2-n2cncn2)s1 ZINC000171049988 863011213 /nfs/dbraw/zinc/01/12/13/863011213.db2.gz PYGPZMFITGMMGC-UHFFFAOYSA-N 1 0 392.444 3.589 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588612655 834877511 /nfs/dbraw/zinc/87/75/11/834877511.db2.gz OUFVWROBFGLCDX-QUHSPFQSSA-N 1 0 379.460 3.636 10 5 GHBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000102929088 838270112 /nfs/dbraw/zinc/27/01/12/838270112.db2.gz XAUPTBAGSXMHIJ-GOSISDBHSA-N 1 0 397.431 3.798 10 5 GHBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246350169 857354227 /nfs/dbraw/zinc/35/42/27/857354227.db2.gz PDEHRWQAZMYBPE-CRAIPNDOSA-N 1 0 397.479 3.639 10 5 GHBERO C[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000248763232 865930574 /nfs/dbraw/zinc/93/05/74/865930574.db2.gz DXYWCYANLKUYLB-KSSFIOAISA-N 1 0 390.465 3.737 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000588436405 842574002 /nfs/dbraw/zinc/57/40/02/842574002.db2.gz JVFIUTXNJOGARI-ICFOKQHNSA-N 1 0 379.460 3.779 10 5 GHBERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185355127 859971678 /nfs/dbraw/zinc/97/16/78/859971678.db2.gz BJSKNLVPIOZNMS-GOSISDBHSA-N 1 0 391.830 3.970 10 5 GHBERO CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725392 905921209 /nfs/dbraw/zinc/92/12/09/905921209.db2.gz DIZIHYKNONJHCC-RDJZCZTQSA-N 1 0 385.468 3.770 10 5 GHBERO O=C(NCCCOc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000039180626 205079345 /nfs/dbraw/zinc/07/93/45/205079345.db2.gz QHRMEMAFLSGRRJ-UHFFFAOYSA-N 1 0 397.475 3.780 10 5 GHBERO COc1cc(OC)c2c3ccc4cc5c(cc4c3[n+](C)cc2c1OC)OCO5 ZINC000001532499 560181877 /nfs/dbraw/zinc/18/18/77/560181877.db2.gz LZJHNXHYKRKCDZ-UHFFFAOYSA-N 1 0 378.404 3.725 10 5 in-vitro GHBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092930 838328344 /nfs/dbraw/zinc/32/83/44/838328344.db2.gz QAWQAVLFYPSIJM-MRXNPFEDSA-N 1 0 384.480 3.804 10 5 GHBERO COc1ccccc1CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710367 838901309 /nfs/dbraw/zinc/90/13/09/838901309.db2.gz JVUAMZYVSVCALV-AWEZNQCLSA-N 1 0 382.420 3.889 10 5 GHBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000127884210 847628885 /nfs/dbraw/zinc/62/88/85/847628885.db2.gz PDEHRWQAZMYBPE-MAUKXSAKSA-N 1 0 397.479 3.639 10 5 GHBERO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000135576272 848155502 /nfs/dbraw/zinc/15/55/02/848155502.db2.gz ARXMTWWEGKHRBM-QGZVFWFLSA-N 1 0 381.436 3.535 10 5 GHBERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000102698987 838185090 /nfs/dbraw/zinc/18/50/90/838185090.db2.gz JFPTZESSKPCYRM-JTQLQIEISA-N 1 0 381.791 3.685 10 5 GHBERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000102698919 838185223 /nfs/dbraw/zinc/18/52/23/838185223.db2.gz BLLKFPUAPANPEQ-SNVBAGLBSA-N 1 0 381.791 3.685 10 5 GHBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102929079 838270381 /nfs/dbraw/zinc/27/03/81/838270381.db2.gz ASKOXKAMYCEXLQ-GOSISDBHSA-N 1 0 397.431 3.798 10 5 GHBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112551415 886263826 /nfs/dbraw/zinc/26/38/26/886263826.db2.gz XIOGFGCPSVBSCF-KRWDZBQOSA-N 1 0 388.471 3.766 10 5 GHBERO COc1cccc(CN(CC[NH+](C)C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588585048 835166131 /nfs/dbraw/zinc/16/61/31/835166131.db2.gz XEAIUBAGZQZOAU-VKAVYKQESA-N 1 0 397.475 3.597 10 5 GHBERO COc1c(C)cc(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C ZINC000101566151 837954521 /nfs/dbraw/zinc/95/45/21/837954521.db2.gz AYXCSJRWXPBUTH-UHFFFAOYSA-N 1 0 382.420 3.902 10 5 GHBERO Cc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)o1 ZINC000101678542 837987020 /nfs/dbraw/zinc/98/70/20/837987020.db2.gz ZSVPEKFVGNSOJV-SFHVURJKSA-N 1 0 382.420 3.544 10 5 GHBERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246789233 857461616 /nfs/dbraw/zinc/46/16/16/857461616.db2.gz QLRFOFFRUWCHJY-RBUKOAKNSA-N 1 0 396.447 3.676 10 5 GHBERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246789245 857461915 /nfs/dbraw/zinc/46/19/15/857461915.db2.gz QLRFOFFRUWCHJY-RTBURBONSA-N 1 0 396.447 3.676 10 5 GHBERO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000185631980 860785128 /nfs/dbraw/zinc/78/51/28/860785128.db2.gz MMYYWZABIJMTDH-HUBLWGQQSA-N 1 0 389.839 3.730 10 5 GHBERO COc1cc2c(c3c[n+](C)c4c(ccc5cc(OC)c(OC)cc54)c13)OCO2 ZINC000001532500 560181892 /nfs/dbraw/zinc/18/18/92/560181892.db2.gz FUAPOWMHFINSMM-UHFFFAOYSA-N 1 0 378.404 3.725 10 5 in-vitro GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCCC[C@H]3n3cccn3)o2)c1 ZINC000128788686 842050674 /nfs/dbraw/zinc/05/06/74/842050674.db2.gz VMFRYPOFETYABA-ZWKOTPCHSA-N 1 0 381.436 3.762 10 5 GHBERO C[N+](C)(C)[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002012077 717092822 /nfs/dbraw/zinc/09/28/22/717092822.db2.gz SYYYNDLSZUIOSO-QHCPKHFHSA-N 1 0 390.503 3.913 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248617614 863037034 /nfs/dbraw/zinc/03/70/34/863037034.db2.gz BBKLVPOIYMTZAU-AEFFLSMTSA-N 1 0 397.479 3.639 10 5 GHBERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000102698988 838185643 /nfs/dbraw/zinc/18/56/43/838185643.db2.gz JFPTZESSKPCYRM-SNVBAGLBSA-N 1 0 381.791 3.685 10 5 GHBERO COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)c1 ZINC000048524473 903732318 /nfs/dbraw/zinc/73/23/18/903732318.db2.gz UDSZSTLNLVDDCY-UHFFFAOYSA-N 1 0 389.391 3.507 10 5 GHBERO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725412 905920936 /nfs/dbraw/zinc/92/09/36/905920936.db2.gz DIZIHYKNONJHCC-NVXWUHKLSA-N 1 0 385.468 3.770 10 5 GHBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cncn3)s2)cc1 ZINC000171049963 863010535 /nfs/dbraw/zinc/01/05/35/863010535.db2.gz KJWNNAMZMQVGRQ-UHFFFAOYSA-N 1 0 392.444 3.589 10 5 GHBERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188952335 838001567 /nfs/dbraw/zinc/00/15/67/838001567.db2.gz DNJUFUJBZMBMCA-IBGZPJMESA-N 1 0 378.432 3.917 10 5 GHBERO CN(c1ccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000194101010 888020392 /nfs/dbraw/zinc/02/03/92/888020392.db2.gz UFHPPCJVYWSNEM-UHFFFAOYSA-N 1 0 399.451 3.646 10 5 GHBERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CCO1 ZINC000068095429 891168962 /nfs/dbraw/zinc/16/89/62/891168962.db2.gz SELYHHOOOYPJAU-KRWDZBQOSA-N 1 0 389.499 3.713 10 5 GHBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)Cc1cccc(C(=O)NC)c1 ZINC000246357575 717164181 /nfs/dbraw/zinc/16/41/81/717164181.db2.gz KNPASSLEMPVHLO-VWLOTQADSA-O 1 0 380.468 3.814 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000588444517 842799400 /nfs/dbraw/zinc/79/94/00/842799400.db2.gz GGSKYHHDFOTLPC-PEZBUJJGSA-N 1 0 397.450 3.918 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000094153143 860421741 /nfs/dbraw/zinc/42/17/41/860421741.db2.gz DFXHNFPAZXQVOL-QFBILLFUSA-N 1 0 396.491 3.555 10 5 GHBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1COc2ccccc21 ZINC000185631995 860784691 /nfs/dbraw/zinc/78/46/91/860784691.db2.gz MMYYWZABIJMTDH-XUJVJEKNSA-N 1 0 389.839 3.730 10 5 GHBERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000102698884 873464328 /nfs/dbraw/zinc/46/43/28/873464328.db2.gz CSBUYHHEFLFRLM-SNVBAGLBSA-N 1 0 381.791 3.685 10 5 GHBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000249045355 885945895 /nfs/dbraw/zinc/94/58/95/885945895.db2.gz HHLQWXABFWQVTD-AEFFLSMTSA-N 1 0 397.479 3.639 10 5 GHBERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180422329 837241333 /nfs/dbraw/zinc/24/13/33/837241333.db2.gz SSSRXAQXINPXPV-QRWLVFNGSA-N 1 0 383.448 3.618 10 5 GHBERO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000176313434 846993474 /nfs/dbraw/zinc/99/34/74/846993474.db2.gz NYDAUDSKWYOJGB-MRXNPFEDSA-N 1 0 397.479 3.636 10 5 GHBERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247979385 849101585 /nfs/dbraw/zinc/10/15/85/849101585.db2.gz IEZCWAOEUQRFFF-YHYVQYDKSA-N 1 0 394.519 3.811 10 5 GHBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)Cc1ccc(C(=O)NC)cc1 ZINC000246223496 717164169 /nfs/dbraw/zinc/16/41/69/717164169.db2.gz DUWBETKITHMASK-RUZDIDTESA-O 1 0 380.468 3.814 10 5 GHBERO CCC[NH+]1CCC(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000103613485 838465826 /nfs/dbraw/zinc/46/58/26/838465826.db2.gz DRPIHCAAFKNHRV-UHFFFAOYSA-N 1 0 376.501 3.637 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248617927 863036517 /nfs/dbraw/zinc/03/65/17/863036517.db2.gz BBKLVPOIYMTZAU-SJLPKXTDSA-N 1 0 397.479 3.639 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588612654 834877299 /nfs/dbraw/zinc/87/72/99/834877299.db2.gz OUFVWROBFGLCDX-MBGNVJMVSA-N 1 0 379.460 3.636 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCCC[C@H]3n3cccn3)o2)c1 ZINC000128788485 842049667 /nfs/dbraw/zinc/04/96/67/842049667.db2.gz VMFRYPOFETYABA-QZTJIDSGSA-N 1 0 381.436 3.762 10 5 GHBERO C[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000248763226 865930639 /nfs/dbraw/zinc/93/06/39/865930639.db2.gz DXYWCYANLKUYLB-KDOFPFPSSA-N 1 0 390.465 3.737 10 5 GHBERO C[N+](C)(C)[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002012078 717093129 /nfs/dbraw/zinc/09/31/29/717093129.db2.gz SYYYNDLSZUIOSO-HSZRJFAPSA-N 1 0 390.503 3.913 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000588437680 842722892 /nfs/dbraw/zinc/72/28/92/842722892.db2.gz RDNNSZBJCIMVQK-PFONDFGASA-N 1 0 396.447 3.527 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000588437178 842594993 /nfs/dbraw/zinc/59/49/93/842594993.db2.gz GOXSDOJRDLIBFS-MSUUIHNZSA-N 1 0 394.475 3.779 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245719608 857135592 /nfs/dbraw/zinc/13/55/92/857135592.db2.gz DFXHNFPAZXQVOL-APWZRJJASA-N 1 0 396.491 3.555 10 5 GHBERO COc1c(C)cc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000101566440 837954618 /nfs/dbraw/zinc/95/46/18/837954618.db2.gz GVEJYHPEHDIIRG-UHFFFAOYSA-N 1 0 382.420 3.902 10 5 GHBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520803 838161033 /nfs/dbraw/zinc/16/10/33/838161033.db2.gz QRUDSVUCHDQRMT-AWEZNQCLSA-N 1 0 379.420 3.980 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000588444964 842807002 /nfs/dbraw/zinc/80/70/02/842807002.db2.gz GWXBESZNGWHDHF-BXWQOUMASA-N 1 0 385.508 3.969 10 5 GHBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576888 837328097 /nfs/dbraw/zinc/32/80/97/837328097.db2.gz PXCVCFXQKGKRKP-WFASDCNBSA-N 1 0 397.425 3.681 10 5 GHBERO O=C(O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000100371992 717143249 /nfs/dbraw/zinc/14/32/49/717143249.db2.gz OYYDSUSKLWTMMQ-NUNAXRQHSA-N 1 0 392.519 3.770 10 5 world GHBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576875 837328187 /nfs/dbraw/zinc/32/81/87/837328187.db2.gz PXCVCFXQKGKRKP-DOMZBBRYSA-N 1 0 397.425 3.681 10 5 GHBERO Cn1ccnc1CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000162375887 861658378 /nfs/dbraw/zinc/65/83/78/861658378.db2.gz JLSUQKJTMKQLCJ-UHFFFAOYSA-N 1 0 384.480 3.721 10 5 GHBERO Cn1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092788473 860128723 /nfs/dbraw/zinc/12/87/23/860128723.db2.gz FTQSAXPMKOGTSH-HNNXBMFYSA-N 1 0 383.477 3.831 10 5 GHBERO Cc1sc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000101531594 837959488 /nfs/dbraw/zinc/95/94/88/837959488.db2.gz CAFRPSWTEINHBT-UHFFFAOYSA-N 1 0 387.505 3.745 10 5 GHBERO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000160175580 863371598 /nfs/dbraw/zinc/37/15/98/863371598.db2.gz KNLOWRDETNUZOQ-UHFFFAOYSA-N 1 0 386.374 3.706 10 5 GHBERO C[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000194475125 888368071 /nfs/dbraw/zinc/36/80/71/888368071.db2.gz DXYWCYANLKUYLB-KBXCAEBGSA-N 1 0 390.465 3.737 10 5 GHBERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180422279 837241688 /nfs/dbraw/zinc/24/16/88/837241688.db2.gz SSSRXAQXINPXPV-MGPUTAFESA-N 1 0 383.448 3.618 10 5 GHBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1COc2ccccc21 ZINC000185632034 860784982 /nfs/dbraw/zinc/78/49/82/860784982.db2.gz MMYYWZABIJMTDH-TYNCELHUSA-N 1 0 389.839 3.730 10 5 GHBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000191383559 884904492 /nfs/dbraw/zinc/90/44/92/884904492.db2.gz HHLQWXABFWQVTD-FUHWJXTLSA-N 1 0 397.479 3.639 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000120117841 837412253 /nfs/dbraw/zinc/41/22/53/837412253.db2.gz BBKLVPOIYMTZAU-FUHWJXTLSA-N 1 0 397.479 3.639 10 5 GHBERO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000185632015 860784890 /nfs/dbraw/zinc/78/48/90/860784890.db2.gz MMYYWZABIJMTDH-SLEUVZQESA-N 1 0 389.839 3.730 10 5 GHBERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247979381 849101812 /nfs/dbraw/zinc/10/18/12/849101812.db2.gz IEZCWAOEUQRFFF-VOQZNFBZSA-N 1 0 394.519 3.811 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000588436838 842583079 /nfs/dbraw/zinc/58/30/79/842583079.db2.gz UIMMBGGVZISWLP-ZCXUNETKSA-N 1 0 393.487 3.821 10 5 GHBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246350189 857353948 /nfs/dbraw/zinc/35/39/48/857353948.db2.gz PDEHRWQAZMYBPE-QAPCUYQASA-N 1 0 397.479 3.639 10 5 GHBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000191383574 884903544 /nfs/dbraw/zinc/90/35/44/884903544.db2.gz HHLQWXABFWQVTD-WMZOPIPTSA-N 1 0 397.479 3.639 10 5 GHBERO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725374 905920486 /nfs/dbraw/zinc/92/04/86/905920486.db2.gz DIZIHYKNONJHCC-DOTOQJQBSA-N 1 0 385.468 3.770 10 5 GHBERO O=[N+]([O-])c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000156694312 834505411 /nfs/dbraw/zinc/50/54/11/834505411.db2.gz QBTPLMXVDYKZEA-MRXNPFEDSA-N 1 0 388.386 3.774 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCCC[C@@H]3n3cccn3)o2)c1 ZINC000128788252 842049557 /nfs/dbraw/zinc/04/95/57/842049557.db2.gz VMFRYPOFETYABA-ROUUACIJSA-N 1 0 381.436 3.762 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)c1 ZINC000246568846 857407783 /nfs/dbraw/zinc/40/77/83/857407783.db2.gz KZYROFUURQGPKD-FUHWJXTLSA-N 1 0 397.431 3.973 10 5 GHBERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185355107 859971894 /nfs/dbraw/zinc/97/18/94/859971894.db2.gz BJSKNLVPIOZNMS-SFHVURJKSA-N 1 0 391.830 3.970 10 5 GHBERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000102698916 838185704 /nfs/dbraw/zinc/18/57/04/838185704.db2.gz BLLKFPUAPANPEQ-JTQLQIEISA-N 1 0 381.791 3.685 10 5 GHBERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180422313 837241599 /nfs/dbraw/zinc/24/15/99/837241599.db2.gz SSSRXAQXINPXPV-YWZLYKJASA-N 1 0 383.448 3.618 10 5 GHBERO Cn1cc(C[NH+]2CCC(Nc3nccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189950996 838477318 /nfs/dbraw/zinc/47/73/18/838477318.db2.gz HOOPBGHWOSVEBM-UHFFFAOYSA-N 1 0 398.492 3.528 10 5 GHBERO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092788474 860128799 /nfs/dbraw/zinc/12/87/99/860128799.db2.gz FTQSAXPMKOGTSH-OAHLLOKOSA-N 1 0 383.477 3.831 10 5 GHBERO Cc1csc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000156775877 860956472 /nfs/dbraw/zinc/95/64/72/860956472.db2.gz DDCOYUDSMILUNN-UHFFFAOYSA-N 1 0 388.493 3.876 10 5 GHBERO CCc1nccn1[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725425 905921162 /nfs/dbraw/zinc/92/11/62/905921162.db2.gz DIZIHYKNONJHCC-WBVHZDCISA-N 1 0 385.468 3.770 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)o2)c1 ZINC000128787980 842056197 /nfs/dbraw/zinc/05/61/97/842056197.db2.gz VMFRYPOFETYABA-MSOLQXFVSA-N 1 0 381.436 3.762 10 5 GHBERO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034678767 570679940 /nfs/dbraw/zinc/67/99/40/570679940.db2.gz KSVCOQGOKARAHP-UHFFFAOYSA-N 1 0 397.475 3.547 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000588440869 842751218 /nfs/dbraw/zinc/75/12/18/842751218.db2.gz YUCCGGQDXVQDQZ-PEZBUJJGSA-N 1 0 383.448 3.886 10 5 GHBERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247979390 849101885 /nfs/dbraw/zinc/10/18/85/849101885.db2.gz IEZCWAOEUQRFFF-ZPMCFJSWSA-N 1 0 394.519 3.811 10 5 GHBERO CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000185356091 859971455 /nfs/dbraw/zinc/97/14/55/859971455.db2.gz ZUMYSCFTXUBORP-PEAOBZDDSA-N 1 0 383.423 3.830 10 5 GHBERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112551413 886264441 /nfs/dbraw/zinc/26/44/41/886264441.db2.gz XIOGFGCPSVBSCF-QGZVFWFLSA-N 1 0 388.471 3.766 10 5 GHBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181123474 837847690 /nfs/dbraw/zinc/84/76/90/837847690.db2.gz KJVLNKNYQVPXFH-UHFFFAOYSA-N 1 0 377.510 3.796 10 5 GHBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929076 838269881 /nfs/dbraw/zinc/26/98/81/838269881.db2.gz UPIMPIIDKQAIRI-SFHVURJKSA-N 1 0 397.431 3.798 10 5 GHBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929081 838269972 /nfs/dbraw/zinc/26/99/72/838269972.db2.gz ASKOXKAMYCEXLQ-SFHVURJKSA-N 1 0 397.431 3.798 10 5 GHBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000094153144 860421753 /nfs/dbraw/zinc/42/17/53/860421753.db2.gz DFXHNFPAZXQVOL-LPHOPBHVSA-N 1 0 396.491 3.555 10 5 GHBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000188114813 835374921 /nfs/dbraw/zinc/37/49/21/835374921.db2.gz XNFVIJTWYBJCBZ-ZFWWWQNUSA-N 1 0 386.395 3.883 10 5 GHBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092935 838328453 /nfs/dbraw/zinc/32/84/53/838328453.db2.gz QAWQAVLFYPSIJM-INIZCTEOSA-N 1 0 384.480 3.804 10 5 GHBERO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000176313421 846993036 /nfs/dbraw/zinc/99/30/36/846993036.db2.gz NYDAUDSKWYOJGB-INIZCTEOSA-N 1 0 397.479 3.636 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)c1 ZINC000246568853 857408197 /nfs/dbraw/zinc/40/81/97/857408197.db2.gz KZYROFUURQGPKD-SJLPKXTDSA-N 1 0 397.431 3.973 10 5 GHBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102929074 838270317 /nfs/dbraw/zinc/27/03/17/838270317.db2.gz UPIMPIIDKQAIRI-GOSISDBHSA-N 1 0 397.431 3.798 10 5 GHBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)o2)c(Cl)c1 ZINC000092647535 860095547 /nfs/dbraw/zinc/09/55/47/860095547.db2.gz FXOATZDMSILUNF-UHFFFAOYSA-N 1 0 387.827 3.937 10 5 GHBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CCO1 ZINC000068095428 891168737 /nfs/dbraw/zinc/16/87/37/891168737.db2.gz SELYHHOOOYPJAU-QGZVFWFLSA-N 1 0 389.499 3.713 10 5 GHBERO CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 ZINC000005955249 717102849 /nfs/dbraw/zinc/10/28/49/717102849.db2.gz DBCXPWSPSKGCIG-UHFFFAOYSA-O 1 0 399.511 3.981 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000588445380 842811219 /nfs/dbraw/zinc/81/12/19/842811219.db2.gz KJFPNMNZECQHRK-WOBAJENOSA-N 1 0 393.487 3.679 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000588445362 842814436 /nfs/dbraw/zinc/81/44/36/842814436.db2.gz AOZJVJAKOBJXBO-ICFOKQHNSA-N 1 0 397.475 3.645 10 5 GHBERO O=C1Nc2ccccc2[C@H]1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314645 857422946 /nfs/dbraw/zinc/42/29/46/857422946.db2.gz FJZXXWZUYJBQSV-QGZVFWFLSA-N 1 0 394.456 3.934 10 5 GHBERO Cc1csc(C2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000156776878 860958241 /nfs/dbraw/zinc/95/82/41/860958241.db2.gz RICAHMYBWGMTMY-UHFFFAOYSA-N 1 0 388.493 3.876 10 5 GHBERO C[N@H+]1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc23)CC1 ZINC000071624948 212134429 /nfs/dbraw/zinc/13/44/29/212134429.db2.gz QTRLJHGHYHUKFW-UHFFFAOYSA-N 1 0 397.456 3.505 10 5 GHBERO Cc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[NH+]2CCCC2)o1 ZINC000101678539 837986218 /nfs/dbraw/zinc/98/62/18/837986218.db2.gz ZSVPEKFVGNSOJV-GOSISDBHSA-N 1 0 382.420 3.544 10 5 GHBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588439245 842737230 /nfs/dbraw/zinc/73/72/30/842737230.db2.gz NACQZFVRXJMONZ-JOIYNNFJSA-N 1 0 393.487 3.979 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)c1 ZINC000151896815 865981527 /nfs/dbraw/zinc/98/15/27/865981527.db2.gz KZYROFUURQGPKD-WMZOPIPTSA-N 1 0 397.431 3.973 10 5 GHBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576880 837328710 /nfs/dbraw/zinc/32/87/10/837328710.db2.gz PXCVCFXQKGKRKP-IUODEOHRSA-N 1 0 397.425 3.681 10 5 GHBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000249045359 885920736 /nfs/dbraw/zinc/92/07/36/885920736.db2.gz HHLQWXABFWQVTD-SJLPKXTDSA-N 1 0 397.479 3.639 10 5 GHBERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180422294 837241555 /nfs/dbraw/zinc/24/15/55/837241555.db2.gz SSSRXAQXINPXPV-FOIQADDNSA-N 1 0 383.448 3.618 10 5 GHBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)o2)c1 ZINC000151896728 865981593 /nfs/dbraw/zinc/98/15/93/865981593.db2.gz KZYROFUURQGPKD-AEFFLSMTSA-N 1 0 397.431 3.973 10 5 GHBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576884 837328511 /nfs/dbraw/zinc/32/85/11/837328511.db2.gz PXCVCFXQKGKRKP-SWLSCSKDSA-N 1 0 397.425 3.681 10 5 GHBERO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637486 838173867 /nfs/dbraw/zinc/17/38/67/838173867.db2.gz CGACKPNCHXATMA-UHFFFAOYSA-N 1 0 378.432 3.967 10 5 GHBERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000102698879 873464445 /nfs/dbraw/zinc/46/44/45/873464445.db2.gz CSBUYHHEFLFRLM-JTQLQIEISA-N 1 0 381.791 3.685 10 5 GHBERO CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000185356074 859971793 /nfs/dbraw/zinc/97/17/93/859971793.db2.gz ZUMYSCFTXUBORP-XXIDSNJLSA-N 1 0 383.423 3.830 10 5 GHBERO