smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060241837 558789560 /nfs/dbraw/zinc/78/95/60/558789560.db2.gz CPKVYZACHUIUOH-LJQANCHMSA-N 1 0 408.376 4.093 50 5 HIBARO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(SC)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280144 568910594 /nfs/dbraw/zinc/91/05/94/568910594.db2.gz KNMVEHBBLOMFMJ-KRWDZBQOSA-N 1 0 400.520 4.092 50 5 biogenic HIBARO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000089780796 569264181 /nfs/dbraw/zinc/26/41/81/569264181.db2.gz ZIZOHGDKFBPZPR-LJQANCHMSA-N 1 0 410.301 4.147 50 5 HIBARO C[C@@H]1C[N@@+](C)(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1 ZINC000245229390 571218017 /nfs/dbraw/zinc/21/80/17/571218017.db2.gz WQFLNSXSYZARDX-LWNFLGSSSA-N 1 0 414.610 4.148 50 5 HIBARO C[C@@H]1C[N@@+](C)(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1 ZINC000245229391 571218093 /nfs/dbraw/zinc/21/80/93/571218093.db2.gz WQFLNSXSYZARDX-MYHBAWRRSA-N 1 0 414.610 4.148 50 5 HIBARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 ZINC000225563336 568773789 /nfs/dbraw/zinc/77/37/89/568773789.db2.gz CRPXXNHTOLJFRH-KRWDZBQOSA-N 1 0 410.518 4.363 50 5 HIBARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065562909 569234174 /nfs/dbraw/zinc/23/41/74/569234174.db2.gz GRZMBALESWLCOS-INIZCTEOSA-N 1 0 408.424 4.357 50 5 HIBARO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889303 568831032 /nfs/dbraw/zinc/83/10/32/568831032.db2.gz BGDZLQHMXJHBNX-RDJZCZTQSA-N 1 0 421.457 4.057 50 5 HIBARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000006921346 569182452 /nfs/dbraw/zinc/18/24/52/569182452.db2.gz PLQJUPFIFYRUMO-UHFFFAOYSA-N 1 0 401.514 4.260 50 5 HIBARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000008606714 571092138 /nfs/dbraw/zinc/09/21/38/571092138.db2.gz HDYFBSVYZUTQEM-UHFFFAOYSA-N 1 0 421.501 4.449 50 5 HIBARO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069847205 571247062 /nfs/dbraw/zinc/24/70/62/571247062.db2.gz MURCTTVQJZJHOH-OAQYLSRUSA-N 1 0 402.539 4.169 50 5 HIBARO O=[N+]([O-])c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000023114673 559011358 /nfs/dbraw/zinc/01/13/58/559011358.db2.gz JPGMIOUDICSWLK-UHFFFAOYSA-N 1 0 418.453 4.415 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000011614620 559114349 /nfs/dbraw/zinc/11/43/49/559114349.db2.gz DDHXPJHMSOCMMX-NRFANRHFSA-N 1 0 416.452 4.192 50 5 HIBARO O[C@H](COc1ccc(Br)cc1)C[N+]1(Cc2ccccc2)CCCCC1 ZINC000004279541 568964236 /nfs/dbraw/zinc/96/42/36/568964236.db2.gz JLOUNQKMHKDNIN-FQEVSTJZSA-N 1 0 405.356 4.390 50 5 HIBARO CCCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000006429083 569048809 /nfs/dbraw/zinc/04/88/09/569048809.db2.gz UVSIVPVDCGEWPW-KRWDZBQOSA-N 1 0 406.280 4.427 50 5 HIBARO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(c2ccc(F)cc2)CC1 ZINC000089364874 569058694 /nfs/dbraw/zinc/05/86/94/569058694.db2.gz YXZUNVWOJWBCPJ-UHFFFAOYSA-N 1 0 410.449 4.490 50 5 HIBARO C[NH+](C)CCCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccccc1 ZINC000011614652 558264545 /nfs/dbraw/zinc/26/45/45/558264545.db2.gz XTEQDWOZYWJLFF-JOCHJYFZSA-N 1 0 412.489 4.443 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccccc1F ZINC000011614621 559113503 /nfs/dbraw/zinc/11/35/03/559113503.db2.gz DDHXPJHMSOCMMX-OAQYLSRUSA-N 1 0 416.452 4.192 50 5 HIBARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 ZINC000005343544 560565898 /nfs/dbraw/zinc/56/58/98/560565898.db2.gz HTGZRFQPOZKLEK-UHFFFAOYSA-N 1 0 421.501 4.008 50 5 HIBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012554712 568855074 /nfs/dbraw/zinc/85/50/74/568855074.db2.gz YHIHYQXFSRPJJM-UHFFFAOYSA-N 1 0 422.529 4.111 50 5 HIBARO Cc1c(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cccc1[N+](=O)[O-] ZINC000012857282 569011167 /nfs/dbraw/zinc/01/11/67/569011167.db2.gz UHEACJUPEPYECE-UHFFFAOYSA-N 1 0 411.458 4.015 50 5 HIBARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(C)C ZINC000245326962 571225101 /nfs/dbraw/zinc/22/51/01/571225101.db2.gz HJKJCNCGDWNMTI-UNMCSNQZSA-N 1 0 413.493 4.206 50 5 HIBARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(C)C ZINC000105049961 560860790 /nfs/dbraw/zinc/86/07/90/560860790.db2.gz HJKJCNCGDWNMTI-IRLDBZIGSA-N 1 0 413.493 4.206 50 5 HIBARO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000026259812 569030757 /nfs/dbraw/zinc/03/07/57/569030757.db2.gz FWJVUVOARJEYTL-UHFFFAOYSA-N 1 0 423.469 4.226 50 5 HIBARO CC(C)NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069847206 571246997 /nfs/dbraw/zinc/24/69/97/571246997.db2.gz MURCTTVQJZJHOH-NRFANRHFSA-N 1 0 402.539 4.169 50 5 HIBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032903210 525465051 /nfs/dbraw/zinc/46/50/51/525465051.db2.gz YVNVQKIAUFKYPA-UHFFFAOYSA-N 1 0 422.485 4.293 50 5 HIBARO CSc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005242605 558465178 /nfs/dbraw/zinc/46/51/78/558465178.db2.gz QYIMQKONKIHZSO-UHFFFAOYSA-N 1 0 416.528 4.135 50 5 HIBARO Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)c1 ZINC000020941126 568652524 /nfs/dbraw/zinc/65/25/24/568652524.db2.gz BSBNOGGORHIZHK-UHFFFAOYSA-N 1 0 419.485 4.117 50 5 HIBARO Cc1ccc(NC(=O)[C@@H](NCC[NH+](C(C)C)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021548885 568713985 /nfs/dbraw/zinc/71/39/85/568713985.db2.gz USYZZQLGFHMERB-QFIPXVFZSA-N 1 0 412.534 4.291 50 5 HIBARO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889304 568830925 /nfs/dbraw/zinc/83/09/25/568830925.db2.gz BGDZLQHMXJHBNX-WBVHZDCISA-N 1 0 421.457 4.057 50 5 HIBARO CCc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)cc1 ZINC000020575045 523993063 /nfs/dbraw/zinc/99/30/63/523993063.db2.gz OISQOZOOYXFGSP-UHFFFAOYSA-N 1 0 419.485 4.062 50 5 HIBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000055529256 558881822 /nfs/dbraw/zinc/88/18/22/558881822.db2.gz PPBCAQOJLLSIMU-UHFFFAOYSA-N 1 0 416.481 4.169 50 5 HIBARO COc1ccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1F ZINC000048252605 568434312 /nfs/dbraw/zinc/43/43/12/568434312.db2.gz XKASZNOJYWIHDN-UHFFFAOYSA-N 1 0 410.449 4.367 50 5 HIBARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000008606713 571092397 /nfs/dbraw/zinc/09/23/97/571092397.db2.gz DQKBGANWOKZBST-UHFFFAOYSA-N 1 0 421.501 4.449 50 5 HIBARO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 ZINC000225563368 568651408 /nfs/dbraw/zinc/65/14/08/568651408.db2.gz CRPXXNHTOLJFRH-QGZVFWFLSA-N 1 0 410.518 4.363 50 5 HIBARO C[N@H+](Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000036395020 569168636 /nfs/dbraw/zinc/16/86/36/569168636.db2.gz NYRSNBXDZRQOFH-UHFFFAOYSA-N 1 0 407.474 4.488 50 5 HIBARO O=C(NCC(F)(F)F)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000037170568 569239376 /nfs/dbraw/zinc/23/93/76/569239376.db2.gz XMFPHQCEULKVSM-UHFFFAOYSA-N 1 0 407.392 4.052 50 5 HIBARO [NH3+]CCNc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] ZINC000004809629 132289155 /nfs/dbraw/zinc/28/91/55/132289155.db2.gz HCQAOEUGYLMAOT-UHFFFAOYSA-N 1 0 406.467 4.409 50 5 HIBARO COc1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000004614100 558852235 /nfs/dbraw/zinc/85/22/35/558852235.db2.gz PEFYMVVGAZUCDP-UHFFFAOYSA-N 1 0 421.497 4.083 50 5 HIBARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)CC1 ZINC000253417859 569367561 /nfs/dbraw/zinc/36/75/61/569367561.db2.gz IBEAYOYYMWLWEX-LJQANCHMSA-N 1 0 422.529 4.241 50 5 HIBARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])s3)nc2c1C ZINC000005121553 559248551 /nfs/dbraw/zinc/24/85/51/559248551.db2.gz IICZQFJAIVCNJX-UHFFFAOYSA-N 1 0 404.517 4.091 50 5 HIBARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000046007484 568423604 /nfs/dbraw/zinc/42/36/04/568423604.db2.gz SCGGBAGAPVVLLA-UHFFFAOYSA-N 1 0 407.474 4.374 50 5 HIBARO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000095468677 568625374 /nfs/dbraw/zinc/62/53/74/568625374.db2.gz JTEHAFHDUWTBRY-QGZVFWFLSA-N 1 0 421.295 4.010 50 5 HIBARO C[C@@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004687386 132283290 /nfs/dbraw/zinc/28/32/90/132283290.db2.gz MJSSEBUKKLNBQW-CQSZACIVSA-N 1 0 419.323 4.282 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000011614612 559114245 /nfs/dbraw/zinc/11/42/45/559114245.db2.gz ACFRVINXQBOVCL-NRFANRHFSA-N 1 0 416.452 4.192 50 5 HIBARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3cccc([N+](=O)[O-])c3)sc2cc1C ZINC000005152668 559254129 /nfs/dbraw/zinc/25/41/29/559254129.db2.gz DLYMMTSWHRFFBJ-UHFFFAOYSA-N 1 0 412.515 4.420 50 5 HIBARO CC(C)C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000006085542 568997744 /nfs/dbraw/zinc/99/77/44/568997744.db2.gz NKDYHPZNZZZTJU-KRWDZBQOSA-N 1 0 406.280 4.283 50 5 HIBARO CC(C)C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000006085545 568997752 /nfs/dbraw/zinc/99/77/52/568997752.db2.gz NKDYHPZNZZZTJU-QGZVFWFLSA-N 1 0 406.280 4.283 50 5 HIBARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)CC1 ZINC000253417856 569367565 /nfs/dbraw/zinc/36/75/65/569367565.db2.gz IBEAYOYYMWLWEX-IBGZPJMESA-N 1 0 422.529 4.241 50 5 HIBARO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052505 560895082 /nfs/dbraw/zinc/89/50/82/560895082.db2.gz DYEURHSIDPBILV-RBUKOAKNSA-N 1 0 403.523 4.292 50 5 HIBARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]([NH2+]C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000020033266 568586443 /nfs/dbraw/zinc/58/64/43/568586443.db2.gz GTTOPZYFMMFADL-FQEVSTJZSA-N 1 0 411.458 4.349 50 5 HIBARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740704 568824925 /nfs/dbraw/zinc/82/49/25/568824925.db2.gz HJKJCNCGDWNMTI-RBBKRZOGSA-N 1 0 413.493 4.206 50 5 HIBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000057247668 568825254 /nfs/dbraw/zinc/82/52/54/568825254.db2.gz LGKBJZLDEQXJMO-UHFFFAOYSA-N 1 0 416.481 4.169 50 5 HIBARO O=[N+]([O-])c1ccc(Cl)c(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000003388841 568893927 /nfs/dbraw/zinc/89/39/27/568893927.db2.gz RUIIXODZNHSDIT-UHFFFAOYSA-N 1 0 404.923 4.199 50 5 HIBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000058310544 568910138 /nfs/dbraw/zinc/91/01/38/568910138.db2.gz XJVBGZAYFJROBJ-OAHLLOKOSA-N 1 0 414.531 4.220 50 5 HIBARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000058952377 568934474 /nfs/dbraw/zinc/93/44/74/568934474.db2.gz KIXQXHYBFGUNGV-OAHLLOKOSA-N 1 0 401.894 4.410 50 5 HIBARO COc1ccc(C[NH+]2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1F ZINC000040153847 571201126 /nfs/dbraw/zinc/20/11/26/571201126.db2.gz YTNAMDSSAWIHTP-UHFFFAOYSA-N 1 0 410.449 4.367 50 5 HIBARO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435936410 861197250 /nfs/dbraw/zinc/19/72/50/861197250.db2.gz MNSBEMUKSXXCRJ-UHFFFAOYSA-N 1 0 407.420 4.273 50 5 HIBARO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000015953023 846103801 /nfs/dbraw/zinc/10/38/01/846103801.db2.gz HAPAWQLYQMWGOJ-UHFFFAOYSA-O 1 0 406.487 4.192 50 5 HIBARO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000095468678 568625397 /nfs/dbraw/zinc/62/53/97/568625397.db2.gz JTEHAFHDUWTBRY-KRWDZBQOSA-N 1 0 421.295 4.010 50 5 HIBARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000000860757 568713462 /nfs/dbraw/zinc/71/34/62/568713462.db2.gz VPBPNLCMJVOUIT-DEOSSOPVSA-N 1 0 424.460 4.029 50 5 HIBARO Cc1c(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc2c3ccccc3c(=O)oc12 ZINC000006658998 569083629 /nfs/dbraw/zinc/08/36/29/569083629.db2.gz GZBNEMKYMDNINL-UHFFFAOYSA-N 1 0 422.525 4.059 50 5 HIBARO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009869664 569251201 /nfs/dbraw/zinc/25/12/01/569251201.db2.gz DNISEWXQTVRURY-UHFFFAOYSA-N 1 0 424.379 4.234 50 5 HIBARO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2c(cccc2Cl)s1 ZINC000008768426 569390265 /nfs/dbraw/zinc/39/02/65/569390265.db2.gz QYPBTEUJETZGFQ-UHFFFAOYSA-N 1 0 410.908 4.128 50 5 HIBARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000019880395 569432972 /nfs/dbraw/zinc/43/29/72/569432972.db2.gz VPBPNLCMJVOUIT-XMMPIXPASA-N 1 0 424.460 4.029 50 5 HIBARO O=[N+]([O-])c1cccc([C@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)c1 ZINC000017161801 558824512 /nfs/dbraw/zinc/82/45/12/558824512.db2.gz OVUQDHPTLJNZCD-HXUWFJFHSA-N 1 0 420.411 4.264 50 5 HIBARO O[C@@H](COc1ccc(Br)cc1)C[N+]1(Cc2ccccc2)CCCCC1 ZINC000004279542 568964266 /nfs/dbraw/zinc/96/42/66/568964266.db2.gz JLOUNQKMHKDNIN-HXUWFJFHSA-N 1 0 405.356 4.390 50 5 HIBARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000008606715 571092343 /nfs/dbraw/zinc/09/23/43/571092343.db2.gz AFZUMWDWMGYMGX-UHFFFAOYSA-N 1 0 421.501 4.449 50 5 HIBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000004719247 132285750 /nfs/dbraw/zinc/28/57/50/132285750.db2.gz TUMAHXIHYVMANX-UHFFFAOYSA-N 1 0 412.534 4.135 50 5 HIBARO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305217 558757831 /nfs/dbraw/zinc/75/78/31/558757831.db2.gz JEHRELIPSACZLL-NRFANRHFSA-N 1 0 411.502 4.194 50 5 HIBARO CCCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000006429095 569048812 /nfs/dbraw/zinc/04/88/12/569048812.db2.gz UVSIVPVDCGEWPW-QGZVFWFLSA-N 1 0 406.280 4.427 50 5 HIBARO C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006659119 569083728 /nfs/dbraw/zinc/08/37/28/569083728.db2.gz SOPZJPCPAZLRCK-HNNXBMFYSA-N 1 0 422.525 4.139 50 5 HIBARO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000089780797 569264190 /nfs/dbraw/zinc/26/41/90/569264190.db2.gz ZIZOHGDKFBPZPR-IBGZPJMESA-N 1 0 410.301 4.147 50 5 HIBARO C[NH+](C)CCCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585326 558775986 /nfs/dbraw/zinc/77/59/86/558775986.db2.gz YWKZISQHPDBCIG-VAWYXSNFSA-N 1 0 410.499 4.203 50 5 HIBARO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060241838 558789399 /nfs/dbraw/zinc/78/93/99/558789399.db2.gz CPKVYZACHUIUOH-IBGZPJMESA-N 1 0 408.376 4.093 50 5 HIBARO Cc1ccc(NC(=O)[C@H](NCC[NH+](C(C)C)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021548884 568714002 /nfs/dbraw/zinc/71/40/02/568714002.db2.gz USYZZQLGFHMERB-JOCHJYFZSA-N 1 0 412.534 4.291 50 5 HIBARO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012896874 569020333 /nfs/dbraw/zinc/02/03/33/569020333.db2.gz CFAAWFPDCOWMBD-UHFFFAOYSA-N 1 0 411.458 4.015 50 5 HIBARO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000006547977 569064810 /nfs/dbraw/zinc/06/48/10/569064810.db2.gz BVZCGVPUNIXBIP-UHFFFAOYSA-N 1 0 402.539 4.017 50 5 HIBARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000009942249 571291124 /nfs/dbraw/zinc/29/11/24/571291124.db2.gz QBHVCEDLAFZNGR-UHFFFAOYSA-N 1 0 407.474 4.110 50 5 HIBARO COc1ccc(C2(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC ZINC000004964885 845075403 /nfs/dbraw/zinc/07/54/03/845075403.db2.gz YZANMXCJYWPQOY-HXUWFJFHSA-N 1 0 414.502 4.137 50 5 HIBARO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305218 558757787 /nfs/dbraw/zinc/75/77/87/558757787.db2.gz JEHRELIPSACZLL-OAQYLSRUSA-N 1 0 411.502 4.194 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000011614619 559114342 /nfs/dbraw/zinc/11/43/42/559114342.db2.gz ZDBVQPAZYRGDFO-OAQYLSRUSA-N 1 0 416.452 4.192 50 5 HIBARO C[NH+](C)CCCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000004585330 558775974 /nfs/dbraw/zinc/77/59/74/558775974.db2.gz YZCOUOZFSUJXCI-RAXLEYEMSA-N 1 0 410.499 4.203 50 5 HIBARO O=C([C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745110 559043681 /nfs/dbraw/zinc/04/36/81/559043681.db2.gz OPUDMRFWVMNBFT-HSZRJFAPSA-N 1 0 421.541 4.288 50 5 HIBARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C)CC1 ZINC000005201020 560537786 /nfs/dbraw/zinc/53/77/86/560537786.db2.gz DNIPQGLSFFRFBF-UHFFFAOYSA-N 1 0 421.501 4.008 50 5 HIBARO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)s1 ZINC000058138657 568889990 /nfs/dbraw/zinc/88/99/90/568889990.db2.gz QOCIOEOMMXCGMK-UHFFFAOYSA-N 1 0 423.538 4.445 50 5 HIBARO O=[N+]([O-])c1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)cc1 ZINC000001744540 569048837 /nfs/dbraw/zinc/04/88/37/569048837.db2.gz XGUHZIQJPOZSPO-FQEVSTJZSA-N 1 0 420.411 4.264 50 5 HIBARO O=C([C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745115 559043599 /nfs/dbraw/zinc/04/35/99/559043599.db2.gz OPUDMRFWVMNBFT-QHCPKHFHSA-N 1 0 421.541 4.288 50 5 HIBARO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000004989051 559223400 /nfs/dbraw/zinc/22/34/00/559223400.db2.gz NHEGMVLIJCVRIT-HWKANZROSA-N 1 0 417.303 4.354 50 5 HIBARO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052509 560895054 /nfs/dbraw/zinc/89/50/54/560895054.db2.gz DYEURHSIDPBILV-RTBURBONSA-N 1 0 403.523 4.292 50 5 HIBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055529498 568488921 /nfs/dbraw/zinc/48/89/21/568488921.db2.gz BVCLOAUIDSNILR-UHFFFAOYSA-N 1 0 416.481 4.169 50 5 HIBARO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020270828 568596371 /nfs/dbraw/zinc/59/63/71/568596371.db2.gz PYJOMZMPXAGQDR-UHFFFAOYSA-N 1 0 417.465 4.414 50 5 HIBARO COc1cc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)ccc1OC(C)C ZINC000048524502 569358378 /nfs/dbraw/zinc/35/83/78/569358378.db2.gz JOPUHIGUWSHFQO-UHFFFAOYSA-N 1 0 417.445 4.285 50 5 HIBARO C[C@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004687385 132283237 /nfs/dbraw/zinc/28/32/37/132283237.db2.gz MJSSEBUKKLNBQW-AWEZNQCLSA-N 1 0 419.323 4.282 50 5 HIBARO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032853357 526187156 /nfs/dbraw/zinc/18/71/56/526187156.db2.gz BGDZLQHMXJHBNX-NVXWUHKLSA-N 1 0 421.457 4.057 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000011614618 559114234 /nfs/dbraw/zinc/11/42/34/559114234.db2.gz ZDBVQPAZYRGDFO-NRFANRHFSA-N 1 0 416.452 4.192 50 5 HIBARO C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000011614613 559114284 /nfs/dbraw/zinc/11/42/84/559114284.db2.gz ACFRVINXQBOVCL-OAQYLSRUSA-N 1 0 416.452 4.192 50 5 HIBARO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020168078 568591765 /nfs/dbraw/zinc/59/17/65/568591765.db2.gz MIXQTFGHLFVKMV-UHFFFAOYSA-N 1 0 415.493 4.071 50 5 HIBARO Cc1nc(CN2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cs1 ZINC000095453837 568615964 /nfs/dbraw/zinc/61/59/64/568615964.db2.gz RATSMQAMGKHRPM-UHFFFAOYSA-N 1 0 412.515 4.328 50 5 HIBARO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000058310541 568910100 /nfs/dbraw/zinc/91/01/00/568910100.db2.gz XJVBGZAYFJROBJ-HNNXBMFYSA-N 1 0 414.531 4.220 50 5 HIBARO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000078869636 569420975 /nfs/dbraw/zinc/42/09/75/569420975.db2.gz DYEURHSIDPBILV-OALUTQOASA-N 1 0 403.523 4.292 50 5 HIBARO COc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000032903211 524479792 /nfs/dbraw/zinc/47/97/92/524479792.db2.gz BDCASUGLLUFOLI-UHFFFAOYSA-N 1 0 422.485 4.293 50 5 HIBARO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032853359 526184379 /nfs/dbraw/zinc/18/43/79/526184379.db2.gz BGDZLQHMXJHBNX-DOTOQJQBSA-N 1 0 421.457 4.057 50 5 HIBARO CCc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)c1 ZINC000020941142 568652709 /nfs/dbraw/zinc/65/27/09/568652709.db2.gz MLQKHHKCAFREJO-UHFFFAOYSA-N 1 0 419.485 4.062 50 5 HIBARO CC(C)([C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011121 568683989 /nfs/dbraw/zinc/68/39/89/568683989.db2.gz TWBQYXVYVXXQOF-LJQANCHMSA-N 1 0 421.419 4.358 50 5 HIBARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000058952378 568934721 /nfs/dbraw/zinc/93/47/21/568934721.db2.gz KIXQXHYBFGUNGV-HNNXBMFYSA-N 1 0 401.894 4.410 50 5 HIBARO O=[N+]([O-])c1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)cc1 ZINC000001744537 569048788 /nfs/dbraw/zinc/04/87/88/569048788.db2.gz XGUHZIQJPOZSPO-HXUWFJFHSA-N 1 0 420.411 4.264 50 5 HIBARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000009942242 571291149 /nfs/dbraw/zinc/29/11/49/571291149.db2.gz KVJCXNHLAXFZCH-UHFFFAOYSA-N 1 0 407.474 4.110 50 5 HIBARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000009942245 571291168 /nfs/dbraw/zinc/29/11/68/571291168.db2.gz NNPQJHHAPVQVNZ-UHFFFAOYSA-N 1 0 407.474 4.110 50 5 HIBARO O=[N+]([O-])c1cccc([C@@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)c1 ZINC000013765703 558865502 /nfs/dbraw/zinc/86/55/02/558865502.db2.gz OVUQDHPTLJNZCD-FQEVSTJZSA-N 1 0 420.411 4.264 50 5 HIBARO COc1ccc(/C=C/C(=O)OCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004837546 559166679 /nfs/dbraw/zinc/16/66/79/559166679.db2.gz YFVFIYUWTOMHFD-SOFGYWHQSA-N 1 0 414.566 4.305 50 5 HIBARO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2c(c1)COCO2 ZINC000016694779 569070518 /nfs/dbraw/zinc/07/05/18/569070518.db2.gz RONPELDAQNBWSE-CQSZACIVSA-N 1 0 411.483 4.451 50 5 HIBARO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065562911 569234188 /nfs/dbraw/zinc/23/41/88/569234188.db2.gz GRZMBALESWLCOS-MRXNPFEDSA-N 1 0 408.424 4.357 50 5 HIBARO C[C@@H]1C[N+](C)(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@@H](C)O1 ZINC000017247475 560704841 /nfs/dbraw/zinc/70/48/41/560704841.db2.gz WQFLNSXSYZARDX-UDABTGFVSA-N 1 0 414.610 4.148 50 5 HIBARO CC(C)([C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011122 568684063 /nfs/dbraw/zinc/68/40/63/568684063.db2.gz TWBQYXVYVXXQOF-IBGZPJMESA-N 1 0 421.419 4.358 50 5 HIBARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740705 568824884 /nfs/dbraw/zinc/82/48/84/568824884.db2.gz HJKJCNCGDWNMTI-IFMALSPDSA-N 1 0 413.493 4.206 50 5 HIBARO Cc1[nH]c2ccccc2c1C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000058129910 568888768 /nfs/dbraw/zinc/88/87/68/568888768.db2.gz NBCLWNRUVYJYMS-UHFFFAOYSA-N 1 0 416.485 4.480 50 5 HIBARO O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000006734241 569104296 /nfs/dbraw/zinc/10/42/96/569104296.db2.gz VEFINKSBSGBSEB-OAQYLSRUSA-N 1 0 420.513 4.200 50 5 HIBARO O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000006734239 569104300 /nfs/dbraw/zinc/10/43/00/569104300.db2.gz VEFINKSBSGBSEB-NRFANRHFSA-N 1 0 420.513 4.200 50 5 HIBARO CC12C[C@H]3C[C@@H](C1)CC([NH+]1CCN(C(=O)c4ccc(Cl)cc4[N+](=O)[O-])CC1)(C3)C2 ZINC000017091267 569274362 /nfs/dbraw/zinc/27/43/62/569274362.db2.gz OPNSLEXZPQMVKU-MBWAJUJLSA-N 1 0 417.937 4.365 50 5 HIBARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]([NH2+]C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000020033270 521369007 /nfs/dbraw/zinc/36/90/07/521369007.db2.gz GTTOPZYFMMFADL-HXUWFJFHSA-N 1 0 411.458 4.349 50 5 HIBARO O=c1c([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c2ccccc2n1-c1ccccc1 ZINC000004834221 559163275 /nfs/dbraw/zinc/16/32/75/559163275.db2.gz YOMUMKBZIVEOLF-UHFFFAOYSA-N 1 0 406.486 4.187 50 5 HIBARO Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000024864460 568472951 /nfs/dbraw/zinc/47/29/51/568472951.db2.gz USMDFGZHCOEZHG-QGZVFWFLSA-N 1 0 407.474 4.029 50 5 HIBARO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2c(c1)COCO2 ZINC000016694780 569070488 /nfs/dbraw/zinc/07/04/88/569070488.db2.gz RONPELDAQNBWSE-AWEZNQCLSA-N 1 0 411.483 4.451 50 5 HIBARO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000436094654 861375589 /nfs/dbraw/zinc/37/55/89/861375589.db2.gz UZLPAKFFVYAVOW-UHFFFAOYSA-N 1 0 407.420 4.273 50 5 HIBARO COc1ccc(C2(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC ZINC000004964882 845075422 /nfs/dbraw/zinc/07/54/22/845075422.db2.gz YZANMXCJYWPQOY-FQEVSTJZSA-N 1 0 414.502 4.137 50 5 HIBARO CCCOc1ccc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)cc1OC ZINC000025576477 569357686 /nfs/dbraw/zinc/35/76/86/569357686.db2.gz GYTCCNUZWXIZPU-UHFFFAOYSA-N 1 0 417.445 4.287 50 5 HIBARO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869634 569420883 /nfs/dbraw/zinc/42/08/83/569420883.db2.gz DYEURHSIDPBILV-MOPGFXCFSA-N 1 0 403.523 4.292 50 5 HIBARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])o3)sc2c(C)c1 ZINC000004359807 558456990 /nfs/dbraw/zinc/45/69/90/558456990.db2.gz BLAPDRPIHHUPFU-UHFFFAOYSA-N 1 0 402.476 4.013 50 5 HIBARO C[NH+](C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(cccc2Cl)s1 ZINC000005122427 559248591 /nfs/dbraw/zinc/24/85/91/559248591.db2.gz ZMPBNTSERBASFV-UHFFFAOYSA-N 1 0 418.906 4.456 50 5 HIBARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000005122302 559248669 /nfs/dbraw/zinc/24/86/69/559248669.db2.gz WZLBLEFRUPPROQ-UHFFFAOYSA-N 1 0 412.515 4.365 50 5 HIBARO CSc1cccc(C(=O)N(CC[NH+](C)C)c2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000005242606 560549673 /nfs/dbraw/zinc/54/96/73/560549673.db2.gz DCJGAHYVFPGABV-UHFFFAOYSA-N 1 0 416.528 4.135 50 5 HIBARO CC[N@H+](CCC1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000095458051 568618725 /nfs/dbraw/zinc/61/87/25/568618725.db2.gz VYPCXEMSSOFIIZ-UHFFFAOYSA-N 1 0 416.566 4.071 50 5 HIBARO C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006659120 569083737 /nfs/dbraw/zinc/08/37/37/569083737.db2.gz SOPZJPCPAZLRCK-OAHLLOKOSA-N 1 0 422.525 4.139 50 5 HIBARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000040119608 571175742 /nfs/dbraw/zinc/17/57/42/571175742.db2.gz DELZMTWELDNPHX-OAHLLOKOSA-N 1 0 403.504 4.116 50 5 HIBARO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435936738 861200297 /nfs/dbraw/zinc/20/02/97/861200297.db2.gz NIRDAGJELGLABP-UHFFFAOYSA-N 1 0 407.420 4.273 50 5 HIBARO Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000024864465 568472893 /nfs/dbraw/zinc/47/28/93/568472893.db2.gz USMDFGZHCOEZHG-KRWDZBQOSA-N 1 0 407.474 4.029 50 5 HIBARO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(SC)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280143 568910662 /nfs/dbraw/zinc/91/06/62/568910662.db2.gz KNMVEHBBLOMFMJ-QGZVFWFLSA-N 1 0 400.520 4.092 50 5 biogenic HIBARO C[NH+](C)CCCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000011614651 558264583 /nfs/dbraw/zinc/26/45/83/558264583.db2.gz XTEQDWOZYWJLFF-QFIPXVFZSA-N 1 0 412.489 4.443 50 5 HIBARO C[C@@H]1C[N+](C)(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@@H](C)O1 ZINC000017247467 560704812 /nfs/dbraw/zinc/70/48/12/560704812.db2.gz WQFLNSXSYZARDX-MHGTVPHKSA-N 1 0 414.610 4.148 50 5 HIBARO C[NH+](C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(cc(F)cc2F)s1 ZINC000012141020 560890388 /nfs/dbraw/zinc/89/03/88/560890388.db2.gz UHNDTHHCWJQYAT-UHFFFAOYSA-N 1 0 420.441 4.081 50 5 HIBARO Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)c1C ZINC000020941114 568652690 /nfs/dbraw/zinc/65/26/90/568652690.db2.gz CYZZPAOLQNGTKI-UHFFFAOYSA-N 1 0 419.485 4.117 50 5 HIBARO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000040119609 571175816 /nfs/dbraw/zinc/17/58/16/571175816.db2.gz DELZMTWELDNPHX-HNNXBMFYSA-N 1 0 403.504 4.116 50 5 HIBARO