smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000002352404 204035133 /nfs/dbraw/zinc/03/51/33/204035133.db2.gz QWOQVNXEIJUWGW-GTNSWQLSSA-N 1 0 361.785 3.514 50 5 FHBARO C[NH+](C)C1(CNC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000006335982 204244926 /nfs/dbraw/zinc/24/49/26/204244926.db2.gz YTKSLEHTRBDUBD-UHFFFAOYSA-N 1 0 370.906 3.799 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006616567 204257054 /nfs/dbraw/zinc/25/70/54/204257054.db2.gz QKBLQTGQUQSFQN-INIZCTEOSA-N 1 0 372.450 3.852 50 5 FHBARO Cc1cc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000063485864 205292822 /nfs/dbraw/zinc/29/28/22/205292822.db2.gz NGAPRZOIFADHKF-UHFFFAOYSA-N 1 0 369.465 3.540 50 5 FHBARO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(C)CC1)[N+](C)(C)CC3)OCO2 ZINC000001280139 206146491 /nfs/dbraw/zinc/14/64/91/206146491.db2.gz MDSVNSMYCYAUEF-WBVHZDCISA-N 1 0 372.485 3.803 50 5 biogenic FHBARO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000058157554 206391627 /nfs/dbraw/zinc/39/16/27/206391627.db2.gz UWXXGAONSUVOSY-GOSISDBHSA-N 1 0 356.426 3.636 50 5 FHBARO CC[N+](CC)(CC)CCCCCC(=O)NC1CC(C)(C)N(O)C(C)(C)C1 ZINC000103683313 222341100 /nfs/dbraw/zinc/34/11/00/222341100.db2.gz GMOOYWVPNJZOKR-UHFFFAOYSA-O 1 0 369.594 3.907 50 5 FHBARO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000000855986 560178733 /nfs/dbraw/zinc/17/87/33/560178733.db2.gz WKHHFWJJIRCXHA-MRXNPFEDSA-N 1 0 370.469 3.618 50 5 biogenic,in-vitro FHBARO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012800357 571322717 /nfs/dbraw/zinc/32/27/17/571322717.db2.gz JOLCDQWXSMQKRF-BEFAXECRSA-N 1 0 368.437 3.942 50 5 FHBARO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000095460992 571330211 /nfs/dbraw/zinc/33/02/11/571330211.db2.gz FXVQFMGHWLMZOH-UHFFFAOYSA-N 1 0 367.515 3.944 50 5 FHBARO Cc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 ZINC000002966509 204071939 /nfs/dbraw/zinc/07/19/39/204071939.db2.gz KFWOVVONPINGBD-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019873933 204711668 /nfs/dbraw/zinc/71/16/68/204711668.db2.gz QFZZCHYWHWUPFF-KRWDZBQOSA-N 1 0 357.797 3.973 50 5 FHBARO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000008126850 206213670 /nfs/dbraw/zinc/21/36/70/206213670.db2.gz WGFVAOMOJZYMPY-SFHVURJKSA-N 1 0 369.421 3.551 50 5 FHBARO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024715757 568007155 /nfs/dbraw/zinc/00/71/55/568007155.db2.gz NYUWMBRSDLCQJU-QGZVFWFLSA-N 1 0 361.829 3.834 50 5 FHBARO COc1ccc(OC)c(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000000819091 568296969 /nfs/dbraw/zinc/29/69/69/568296969.db2.gz ZKDPCIXDZATBGL-UHFFFAOYSA-N 1 0 368.393 3.625 50 5 FHBARO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280087 571045766 /nfs/dbraw/zinc/04/57/66/571045766.db2.gz GDIJGHWAEFFUEU-QGZVFWFLSA-N 1 0 368.453 3.679 50 5 biogenic FHBARO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)c1 ZINC000012554772 571180769 /nfs/dbraw/zinc/18/07/69/571180769.db2.gz DCLUAQSLBUAWRF-FQEVSTJZSA-N 1 0 366.421 3.866 50 5 FHBARO Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1C ZINC000029487021 571342486 /nfs/dbraw/zinc/34/24/86/571342486.db2.gz UQIIEACPZJVXQS-KRWDZBQOSA-N 1 0 353.422 3.769 50 5 FHBARO O=[N+]([O-])c1cccc(/C=C/C2=CC[N@H+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000004007020 571353914 /nfs/dbraw/zinc/35/39/14/571353914.db2.gz YRHJMYLPJDJXMF-GLCJEOIMSA-N 1 0 350.418 3.974 50 5 FHBARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010280839 204008724 /nfs/dbraw/zinc/00/87/24/204008724.db2.gz FEDNGXHMUMXBLB-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003242112 204084881 /nfs/dbraw/zinc/08/48/81/204084881.db2.gz NGNWVTFSIVBMEL-SUMWQHHRSA-N 1 0 359.451 3.612 50 5 FHBARO COc1cc(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000004122127 204122284 /nfs/dbraw/zinc/12/22/84/204122284.db2.gz VDDIPDGXPRLPQT-KRWDZBQOSA-N 1 0 354.406 3.666 50 5 FHBARO COc1ccc([C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000008050746 204316954 /nfs/dbraw/zinc/31/69/54/204316954.db2.gz LRTCQZXICPZZMG-LJQANCHMSA-N 1 0 357.410 3.521 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012927987 204509698 /nfs/dbraw/zinc/50/96/98/204509698.db2.gz GKRLMQDSGMRJNF-UHFFFAOYSA-N 1 0 373.840 3.774 50 5 FHBARO COC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000025502753 204838225 /nfs/dbraw/zinc/83/82/25/204838225.db2.gz OWRKEKAOGSCHSW-UHFFFAOYSA-N 1 0 369.421 3.589 50 5 FHBARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC000040098648 205054039 /nfs/dbraw/zinc/05/40/39/205054039.db2.gz KWIDRSJHTNAYCL-AWEZNQCLSA-N 1 0 368.846 3.734 50 5 FHBARO COc1c2c(cc3c1[C@H](n1ccc4ccccc41)[N+](C)(C)CC3)OCO2 ZINC000001322987 206146653 /nfs/dbraw/zinc/14/66/53/206146653.db2.gz AVWKMIVOJIJOPU-OAQYLSRUSA-N 1 0 351.426 3.558 50 5 biogenic FHBARO COc1c2c(cc3c1[C@@H](CC(=O)CCC=C(C)C)[N+](C)(C)CC3)OCO2 ZINC000001280193 206146919 /nfs/dbraw/zinc/14/69/19/206146919.db2.gz SIGIOYSXQNYYFT-QGZVFWFLSA-N 1 0 360.474 3.803 50 5 biogenic FHBARO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)c1 ZINC000024058274 570548965 /nfs/dbraw/zinc/54/89/65/570548965.db2.gz GRCOLDMGDDLNQE-LJQANCHMSA-N 1 0 366.421 3.866 50 5 FHBARO Cc1cc(C)c([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000040158350 571088684 /nfs/dbraw/zinc/08/86/84/571088684.db2.gz QIZMTYSBASTZEV-KRWDZBQOSA-N 1 0 354.454 3.798 50 5 FHBARO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097257175 571232046 /nfs/dbraw/zinc/23/20/46/571232046.db2.gz LFAWQTRMVYYRHK-QXMHVHEDSA-N 1 0 359.470 3.579 50 5 FHBARO C[C@@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000004315074 204132724 /nfs/dbraw/zinc/13/27/24/204132724.db2.gz QWOQVNXEIJUWGW-PIGZYNQJSA-N 1 0 361.785 3.514 50 5 FHBARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000004986150 204182705 /nfs/dbraw/zinc/18/27/05/204182705.db2.gz CVVYRZATVIOPIP-CQSZACIVSA-N 1 0 358.394 3.630 50 5 FHBARO CC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008148285 204319702 /nfs/dbraw/zinc/31/97/02/204319702.db2.gz SSLAJQOWRPYMLU-UHFFFAOYSA-N 1 0 353.422 3.874 50 5 FHBARO O=[N+]([O-])c1ccc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000048289811 206081624 /nfs/dbraw/zinc/08/16/24/206081624.db2.gz RNBUDLXCGHKNAZ-UHFFFAOYSA-N 1 0 350.419 3.961 50 5 FHBARO CC(=O)O[C@H](CO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 ZINC000002268161 206153943 /nfs/dbraw/zinc/15/39/43/206153943.db2.gz WHHNUCWBERIXGW-VNYTWHDVSA-N 1 0 352.539 3.780 50 5 FHBARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000241644469 524563775 /nfs/dbraw/zinc/56/37/75/524563775.db2.gz PRAVEMPIGJILRJ-MAUKXSAKSA-N 1 0 367.449 3.602 50 5 FHBARO Cc1cc(OC[C@H](O)C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000000771875 568197052 /nfs/dbraw/zinc/19/70/52/568197052.db2.gz OYHKGTQGXDOFIT-GOSISDBHSA-N 1 0 372.465 3.944 50 5 FHBARO Cc1cc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000000771876 568197064 /nfs/dbraw/zinc/19/70/64/568197064.db2.gz OYHKGTQGXDOFIT-SFHVURJKSA-N 1 0 372.465 3.944 50 5 FHBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1Sc1cccc2cccnc21 ZINC000004543611 570822358 /nfs/dbraw/zinc/82/23/58/570822358.db2.gz VWXKGDSFQKTRHI-UHFFFAOYSA-N 1 0 366.446 3.704 50 5 FHBARO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015499673 571075467 /nfs/dbraw/zinc/07/54/67/571075467.db2.gz FJICUNWXAQWRGP-KBPBESRZSA-N 1 0 357.410 3.590 50 5 FHBARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075105835 571154980 /nfs/dbraw/zinc/15/49/80/571154980.db2.gz PRAVEMPIGJILRJ-YJBOKZPZSA-N 1 0 367.449 3.602 50 5 FHBARO Cc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 ZINC000002966510 204072055 /nfs/dbraw/zinc/07/20/55/204072055.db2.gz KFWOVVONPINGBD-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C2CCCCC2)cc1[N+](=O)[O-] ZINC000005379763 204207467 /nfs/dbraw/zinc/20/74/67/204207467.db2.gz QNXYMNIWMAGFBL-INIZCTEOSA-N 1 0 350.459 3.770 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000007447470 204298217 /nfs/dbraw/zinc/29/82/17/204298217.db2.gz OHOMBHYEJDGNHB-UHFFFAOYSA-N 1 0 353.422 3.511 50 5 FHBARO CC(=O)O[C@@H](CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 ZINC000002268164 206153938 /nfs/dbraw/zinc/15/39/38/206153938.db2.gz WHHNUCWBERIXGW-QEUVDIPISA-N 1 0 352.539 3.780 50 5 FHBARO Cc1ccc([C@H](C[NH+]2CCCCC2)OC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000001886360 206151488 /nfs/dbraw/zinc/15/14/88/206151488.db2.gz JICCCZYAKPOHLQ-IBGZPJMESA-N 1 0 369.421 3.682 50 5 FHBARO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccccn3)CC2)ccc2ncccc21 ZINC000048235061 221001592 /nfs/dbraw/zinc/00/15/92/221001592.db2.gz HFMJZRIVKQAWQS-UHFFFAOYSA-N 1 0 363.421 3.615 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007437186 526656478 /nfs/dbraw/zinc/65/64/78/526656478.db2.gz QTMUNCBTQINWDT-UHFFFAOYSA-N 1 0 373.840 3.774 50 5 FHBARO Cc1cc(C)c([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000040158349 571088521 /nfs/dbraw/zinc/08/85/21/571088521.db2.gz QIZMTYSBASTZEV-QGZVFWFLSA-N 1 0 354.454 3.798 50 5 FHBARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000095958280 571332926 /nfs/dbraw/zinc/33/29/26/571332926.db2.gz JXEKTVPVXASZFY-OAHLLOKOSA-N 1 0 362.474 3.925 50 5 FHBARO Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1C ZINC000029487018 571342478 /nfs/dbraw/zinc/34/24/78/571342478.db2.gz UQIIEACPZJVXQS-QGZVFWFLSA-N 1 0 353.422 3.769 50 5 FHBARO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003224704 204082901 /nfs/dbraw/zinc/08/29/01/204082901.db2.gz MQWQYQWCYUSRKW-SUMWQHHRSA-N 1 0 359.451 3.612 50 5 FHBARO Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000004385517 204137283 /nfs/dbraw/zinc/13/72/83/204137283.db2.gz JWLFSORHTQHFQL-UHFFFAOYSA-N 1 0 353.338 3.516 50 5 FHBARO COc1ccc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000036396723 204377076 /nfs/dbraw/zinc/37/70/76/204377076.db2.gz NYPTXIXDIJWQID-GOSISDBHSA-N 1 0 372.421 3.828 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000024237727 204817824 /nfs/dbraw/zinc/81/78/24/204817824.db2.gz SENOLJUMQWMMCU-UHFFFAOYSA-N 1 0 368.437 3.902 50 5 FHBARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000004725220 206181259 /nfs/dbraw/zinc/18/12/59/206181259.db2.gz RKRBILSXWPKFNX-UHFFFAOYSA-N 1 0 353.407 3.574 50 5 FHBARO O=[N+]([O-])c1cccc(/C=C/C2=CC[N@H+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000000755519 568145843 /nfs/dbraw/zinc/14/58/43/568145843.db2.gz YRHJMYLPJDJXMF-LCCNJJIFSA-N 1 0 350.418 3.974 50 5 FHBARO CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1/C=C/C[NH+]1CCCCC1 ZINC000034573006 570856382 /nfs/dbraw/zinc/85/63/82/570856382.db2.gz YBQCRMWFJFELSV-WLRTZDKTSA-N 1 0 359.455 3.532 50 5 FHBARO O=[N+]([O-])c1ccc(/C(=C/c2ccc(Br)o2)[n+]2ccccc2)o1 ZINC000025539256 571148755 /nfs/dbraw/zinc/14/87/55/571148755.db2.gz QJVKDUZWGDPKJQ-BENRWUELSA-N 1 0 362.159 3.877 50 5 FHBARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001188113 571165349 /nfs/dbraw/zinc/16/53/49/571165349.db2.gz KIXLUYDEDWEOON-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012800349 571322726 /nfs/dbraw/zinc/32/27/26/571322726.db2.gz JOLCDQWXSMQKRF-HNAYVOBHSA-N 1 0 368.437 3.942 50 5 FHBARO Cc1cccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)c1 ZINC000002974649 204071559 /nfs/dbraw/zinc/07/15/59/204071559.db2.gz UBICXKAEVGAKME-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO Cc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 ZINC000002966513 204071644 /nfs/dbraw/zinc/07/16/44/204071644.db2.gz UWWKANOWDBYTTE-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003224702 204083201 /nfs/dbraw/zinc/08/32/01/204083201.db2.gz MQWQYQWCYUSRKW-GUYCJALGSA-N 1 0 359.451 3.612 50 5 FHBARO C[C@@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000004315046 204132355 /nfs/dbraw/zinc/13/23/55/204132355.db2.gz QWOQVNXEIJUWGW-DIFFPNOSSA-N 1 0 361.785 3.514 50 5 FHBARO Cc1ccc(-[n+]2c3ccccc3nc3ccc(N4CCOCC4)cc32)cc1 ZINC000004426579 204138300 /nfs/dbraw/zinc/13/83/00/204138300.db2.gz LTZIGYITGGSAJE-UHFFFAOYSA-N 1 0 356.449 3.810 50 5 FHBARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009750848 204381793 /nfs/dbraw/zinc/38/17/93/204381793.db2.gz QWSXTTMJGUGUHF-MRXNPFEDSA-N 1 0 358.398 3.537 50 5 FHBARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000043331606 206022597 /nfs/dbraw/zinc/02/25/97/206022597.db2.gz UHEZHUMEQODNOC-CYBMUJFWSA-N 1 0 368.846 3.734 50 5 FHBARO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052802434 206221792 /nfs/dbraw/zinc/22/17/92/206221792.db2.gz FDSQPFCCQDIZFT-UHFFFAOYSA-N 1 0 361.829 3.751 50 5 FHBARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000106922252 206313444 /nfs/dbraw/zinc/31/34/44/206313444.db2.gz HNXXWYBHOKWZDK-LAUBAEHRSA-N 1 0 353.466 3.937 50 5 FHBARO CC[C@]12CCC[N@+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]23 ZINC000252441041 523632513 /nfs/dbraw/zinc/63/25/13/523632513.db2.gz BYDKBTXPTYHQQH-KNAFXUBQSA-O 1 0 367.513 3.980 50 5 FHBARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000095958281 571332904 /nfs/dbraw/zinc/33/29/04/571332904.db2.gz JXEKTVPVXASZFY-HNNXBMFYSA-N 1 0 362.474 3.925 50 5 FHBARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000098003950 941326047 /nfs/dbraw/zinc/32/60/47/941326047.db2.gz GSPLHJIJILZLGO-HMZRMUTASA-N 1 0 367.449 3.807 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008406316 204331579 /nfs/dbraw/zinc/33/15/79/204331579.db2.gz VOLICCACXHTQFI-UHFFFAOYSA-N 1 0 373.840 3.774 50 5 FHBARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009750852 204382852 /nfs/dbraw/zinc/38/28/52/204382852.db2.gz QWSXTTMJGUGUHF-INIZCTEOSA-N 1 0 358.398 3.537 50 5 FHBARO CCCCOc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)cc1OC ZINC000051331115 205182739 /nfs/dbraw/zinc/18/27/39/205182739.db2.gz UBZOQHKCLQKOQQ-JWTNVVGKSA-N 1 0 362.490 3.801 50 5 FHBARO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000058050982 205248716 /nfs/dbraw/zinc/24/87/16/205248716.db2.gz SMNAQQYTIWKMEQ-INIZCTEOSA-N 1 0 367.449 3.970 50 5 FHBARO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004993513 207069576 /nfs/dbraw/zinc/06/95/76/207069576.db2.gz PETYAVJHPJMMDK-UHFFFAOYSA-N 1 0 369.421 3.598 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000006159806 207132293 /nfs/dbraw/zinc/13/22/93/207132293.db2.gz VBDADRGKRIQZHH-INIZCTEOSA-N 1 0 372.450 3.852 50 5 FHBARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000010281373 207298395 /nfs/dbraw/zinc/29/83/95/207298395.db2.gz YIEYUOONLTUZQB-UHFFFAOYSA-N 1 0 353.422 3.511 50 5 FHBARO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024715760 207874028 /nfs/dbraw/zinc/87/40/28/207874028.db2.gz NYUWMBRSDLCQJU-KRWDZBQOSA-N 1 0 361.829 3.834 50 5 FHBARO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040153614 208237163 /nfs/dbraw/zinc/23/71/63/208237163.db2.gz PBVLXDNQYJTDAE-UHFFFAOYSA-N 1 0 368.462 3.917 50 5 FHBARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000095981268 209093789 /nfs/dbraw/zinc/09/37/89/209093789.db2.gz SCIQYSOWLVNODG-LBPRGKRZSA-N 1 0 354.838 3.586 50 5 FHBARO COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)c1OC ZINC000252441466 525762197 /nfs/dbraw/zinc/76/21/97/525762197.db2.gz WVJHZWSGUPUPNC-OZECJGNBSA-N 1 0 374.501 3.669 50 5 FHBARO COc1cc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000055543227 536569703 /nfs/dbraw/zinc/56/97/03/536569703.db2.gz MWVCDUNVZBPCBL-UHFFFAOYSA-N 1 0 355.438 3.542 50 5 FHBARO CC(C)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000084625112 571093351 /nfs/dbraw/zinc/09/33/51/571093351.db2.gz PFIJDWJRNSYWRD-UHFFFAOYSA-N 1 0 355.438 3.545 50 5 FHBARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000036832040 571263245 /nfs/dbraw/zinc/26/32/45/571263245.db2.gz BJJUPRISPBPAPD-GOSISDBHSA-N 1 0 369.465 3.586 50 5 FHBARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000007447597 571265844 /nfs/dbraw/zinc/26/58/44/571265844.db2.gz CBLJIHAOSKXRTO-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012793253 571322751 /nfs/dbraw/zinc/32/27/51/571322751.db2.gz RUROBHVXVYVHBR-HNNXBMFYSA-N 1 0 360.439 3.615 50 5 FHBARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012979961 571322942 /nfs/dbraw/zinc/32/29/42/571322942.db2.gz GMLYCKIQBBWGLR-GOSISDBHSA-N 1 0 354.410 3.553 50 5 FHBARO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483525 571342466 /nfs/dbraw/zinc/34/24/66/571342466.db2.gz FDXUUHOVEBXYSL-QGZVFWFLSA-N 1 0 359.813 3.806 50 5 FHBARO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000036396722 207281188 /nfs/dbraw/zinc/28/11/88/207281188.db2.gz NYPTXIXDIJWQID-SFHVURJKSA-N 1 0 372.421 3.828 50 5 FHBARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009917289 207289949 /nfs/dbraw/zinc/28/99/49/207289949.db2.gz MXUDGYHVYMMKLW-UHFFFAOYSA-N 1 0 369.446 3.801 50 5 FHBARO CC[NH+](CC)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000032806331 208045772 /nfs/dbraw/zinc/04/57/72/208045772.db2.gz WHPVJJGILIIVFT-MRXNPFEDSA-N 1 0 353.426 3.738 50 5 FHBARO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065564514 136136673 /nfs/dbraw/zinc/13/66/73/136136673.db2.gz LHLUJKVYQIZQPJ-SECBINFHSA-N 1 0 351.756 3.797 50 5 FHBARO CCCCC[N@+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1 ZINC000252461145 520317397 /nfs/dbraw/zinc/31/73/97/520317397.db2.gz KZBSWVRFZXEYMR-MZGVDSNGSA-N 1 0 358.502 3.555 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007437189 526656790 /nfs/dbraw/zinc/65/67/90/526656790.db2.gz KDXRWZZARHDTOK-UHFFFAOYSA-N 1 0 373.840 3.774 50 5 FHBARO CCCCC[N+](C)(C)C[C@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@@H]13 ZINC000012865683 571130440 /nfs/dbraw/zinc/13/04/40/571130440.db2.gz IPNLZZRAUONHGJ-AUSPTJPFSA-N 1 0 364.550 3.778 50 5 FHBARO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000006937834 571255117 /nfs/dbraw/zinc/25/51/17/571255117.db2.gz IMPAUHAIMHCPEJ-UHFFFAOYSA-N 1 0 359.470 3.822 50 5 FHBARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000027584195 571318098 /nfs/dbraw/zinc/31/80/98/571318098.db2.gz GRTKFDRLEYGNTC-MRXNPFEDSA-N 1 0 359.451 3.613 50 5 FHBARO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280371 209387071 /nfs/dbraw/zinc/38/70/71/209387071.db2.gz FGTWCHUCCKFGNU-INIZCTEOSA-N 1 0 372.416 3.510 50 5 biogenic FHBARO C[N@H+](CCCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000048374771 209332467 /nfs/dbraw/zinc/33/24/67/209332467.db2.gz JMIGBPPTYONIBE-UHFFFAOYSA-N 1 0 352.394 3.709 50 5 FHBARO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000004986748 207070189 /nfs/dbraw/zinc/07/01/89/207070189.db2.gz YDCDUOTZGJHRMC-UHFFFAOYSA-N 1 0 358.394 3.630 50 5 FHBARO CC[NH+](CC)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000032806329 208045481 /nfs/dbraw/zinc/04/54/81/208045481.db2.gz WHPVJJGILIIVFT-INIZCTEOSA-N 1 0 353.426 3.738 50 5 FHBARO COC(=O)c1ccc(C[N+]2(Cc3ccc(C(=O)OC)cc3)CCCC2)cc1 ZINC000071325811 208761856 /nfs/dbraw/zinc/76/18/56/208761856.db2.gz XLLAUHGUEYSHIO-UHFFFAOYSA-N 1 0 368.453 3.571 50 5 FHBARO Cc1[nH+]c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccn12 ZINC000095443099 209050591 /nfs/dbraw/zinc/05/05/91/209050591.db2.gz UADDOQVPIRRLED-UHFFFAOYSA-N 1 0 359.773 3.526 50 5 FHBARO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1C ZINC000055543342 136126978 /nfs/dbraw/zinc/12/69/78/136126978.db2.gz BBXSGOSHOSKMCS-UHFFFAOYSA-N 1 0 355.438 3.542 50 5 FHBARO Cc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)ccc1[N+](=O)[O-] ZINC000059384643 136132166 /nfs/dbraw/zinc/13/21/66/136132166.db2.gz VTDFTAHZGIPECF-UHFFFAOYSA-N 1 0 362.433 3.774 50 5 FHBARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032902448 570838637 /nfs/dbraw/zinc/83/86/37/570838637.db2.gz HIEWJUYUOSAYDQ-AIGDTVQASA-N 1 0 367.449 3.807 50 5 FHBARO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000048362157 570951363 /nfs/dbraw/zinc/95/13/63/570951363.db2.gz NAFWMYVXYNWRNX-LJQANCHMSA-N 1 0 353.422 3.703 50 5 FHBARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015499675 571075495 /nfs/dbraw/zinc/07/54/95/571075495.db2.gz FJICUNWXAQWRGP-ZIAGYGMSSA-N 1 0 357.410 3.590 50 5 FHBARO CN1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000015880100 571140767 /nfs/dbraw/zinc/14/07/67/571140767.db2.gz NGGMGALMXMWYJF-UHFFFAOYSA-N 1 0 374.447 3.506 50 5 FHBARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000004679267 207036924 /nfs/dbraw/zinc/03/69/24/207036924.db2.gz WSLKVXVKYREYKG-UHFFFAOYSA-N 1 0 370.384 3.856 50 5 FHBARO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)c1 ZINC000012554770 207391006 /nfs/dbraw/zinc/39/10/06/207391006.db2.gz DCLUAQSLBUAWRF-HXUWFJFHSA-N 1 0 366.421 3.866 50 5 FHBARO COC(=O)CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000095997170 209094560 /nfs/dbraw/zinc/09/45/60/209094560.db2.gz NSMVDZRZEBPNSF-GOSISDBHSA-N 1 0 356.422 3.557 50 5 FHBARO O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccn2c[nH+]cc2c1 ZINC000095454584 209052992 /nfs/dbraw/zinc/05/29/92/209052992.db2.gz JSTOMINXBYQJQS-UHFFFAOYSA-N 1 0 370.364 3.951 50 5 FHBARO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000000855985 560125886 /nfs/dbraw/zinc/12/58/86/560125886.db2.gz WKHHFWJJIRCXHA-INIZCTEOSA-N 1 0 370.469 3.618 50 5 biogenic,in-vivo FHBARO COC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000022804107 571308309 /nfs/dbraw/zinc/30/83/09/571308309.db2.gz UKTRMBBCRJAGOW-KRWDZBQOSA-N 1 0 373.409 3.614 50 5 FHBARO CC(=O)O[C@H](CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 ZINC000002268163 209395317 /nfs/dbraw/zinc/39/53/17/209395317.db2.gz WHHNUCWBERIXGW-CTAFRAEOSA-N 1 0 352.539 3.780 50 5 FHBARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007686649 207202169 /nfs/dbraw/zinc/20/21/69/207202169.db2.gz XSPRVSVQVIPCHP-GOSISDBHSA-N 1 0 373.840 3.815 50 5 FHBARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000032769494 208042139 /nfs/dbraw/zinc/04/21/39/208042139.db2.gz FNMPKWPEEKDSJM-UHFFFAOYSA-N 1 0 367.449 3.757 50 5 FHBARO CC[N@H+](Cc1ccccc1)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038536747 208203132 /nfs/dbraw/zinc/20/31/32/208203132.db2.gz QVSIMXOXVSYOPP-UHFFFAOYSA-N 1 0 369.465 3.873 50 5 FHBARO C[NH+](C)[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065564515 136136690 /nfs/dbraw/zinc/13/66/90/136136690.db2.gz LHLUJKVYQIZQPJ-VIFPVBQESA-N 1 0 351.756 3.797 50 5 FHBARO CC[C@]12CCC[N@@+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000252441042 523633913 /nfs/dbraw/zinc/63/39/13/523633913.db2.gz BYDKBTXPTYHQQH-LCXINAFSSA-O 1 0 367.513 3.980 50 5 FHBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017075566 571274863 /nfs/dbraw/zinc/27/48/63/571274863.db2.gz UMFFFQSLGKUOPS-UHFFFAOYSA-N 1 0 368.437 3.689 50 5 FHBARO Cc1cccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)c1 ZINC000002974651 571343036 /nfs/dbraw/zinc/34/30/36/571343036.db2.gz YJFMICBGVZRDBE-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003242113 571346002 /nfs/dbraw/zinc/34/60/02/571346002.db2.gz NGNWVTFSIVBMEL-CXAGYDPISA-N 1 0 359.451 3.612 50 5 FHBARO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058047774 571347366 /nfs/dbraw/zinc/34/73/66/571347366.db2.gz YXSFGGBNPXYHKF-UHFFFAOYSA-N 1 0 360.458 3.679 50 5 FHBARO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC ZINC000000640264 206818783 /nfs/dbraw/zinc/81/87/83/206818783.db2.gz RVBHVIRGZXRPRX-GOSISDBHSA-N 1 0 372.485 3.637 50 5 in-vitro FHBARO O=[N+]([O-])c1cccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000004833023 207053015 /nfs/dbraw/zinc/05/30/15/207053015.db2.gz YNAYTMKNGKUXGB-UHFFFAOYSA-N 1 0 369.465 3.572 50 5 FHBARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098661 208227524 /nfs/dbraw/zinc/22/75/24/208227524.db2.gz IJRZALBOJWGIOL-LBPRGKRZSA-N 1 0 354.838 3.634 50 5 FHBARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072308338 571065907 /nfs/dbraw/zinc/06/59/07/571065907.db2.gz HNXXWYBHOKWZDK-UWJYYQICSA-N 1 0 353.466 3.937 50 5 FHBARO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccncc3)CC2)ccc2ncccc21 ZINC000052447976 571145271 /nfs/dbraw/zinc/14/52/71/571145271.db2.gz NJAPWGFGYZSUEE-UHFFFAOYSA-N 1 0 363.421 3.615 50 5 FHBARO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000036832039 571263249 /nfs/dbraw/zinc/26/32/49/571263249.db2.gz BJJUPRISPBPAPD-SFHVURJKSA-N 1 0 369.465 3.586 50 5 FHBARO O=[N+]([O-])c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000019757805 571327266 /nfs/dbraw/zinc/32/72/66/571327266.db2.gz IEUGPHVOVJEUDZ-UHFFFAOYSA-N 1 0 374.444 3.901 50 5 FHBARO Cc1cccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)c1 ZINC000002974650 571343089 /nfs/dbraw/zinc/34/30/89/571343089.db2.gz UBICXKAEVGAKME-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000096943769 932561238 /nfs/dbraw/zinc/56/12/38/932561238.db2.gz XFTIHQQSQQWCPE-DOOKAGJSSA-N 1 0 371.462 3.623 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000006159807 207131644 /nfs/dbraw/zinc/13/16/44/207131644.db2.gz VBDADRGKRIQZHH-MRXNPFEDSA-N 1 0 372.450 3.852 50 5 FHBARO C[NH+](C)CC(C)(C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008178212 207222673 /nfs/dbraw/zinc/22/26/73/207222673.db2.gz DRNOFAFBTRXXGH-UHFFFAOYSA-N 1 0 355.438 3.826 50 5 FHBARO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000010280582 207298422 /nfs/dbraw/zinc/29/84/22/207298422.db2.gz GVMABWYGVIUMRB-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070011595 208123537 /nfs/dbraw/zinc/12/35/37/208123537.db2.gz YKWAWISWKFNXBH-FQEVSTJZSA-N 1 0 359.470 3.598 50 5 FHBARO CC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)[NH2+]1 ZINC000043343269 208304817 /nfs/dbraw/zinc/30/48/17/208304817.db2.gz RPJFZZOEHHNEAI-UHFFFAOYSA-N 1 0 354.838 3.679 50 5 FHBARO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)c1 ZINC000024058276 570549267 /nfs/dbraw/zinc/54/92/67/570549267.db2.gz GRCOLDMGDDLNQE-IBGZPJMESA-N 1 0 366.421 3.866 50 5 FHBARO CC(C)(C)[C@@H]([NH2+]CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1 ZINC000048365729 570951874 /nfs/dbraw/zinc/95/18/74/570951874.db2.gz WKFROVYKTXUVTE-HNNXBMFYSA-N 1 0 373.434 3.587 50 5 FHBARO C[N@@H+]1CCCN(c2nc(C(F)(F)F)nc3ccc4ccccc4c32)CC1 ZINC000241371238 571109982 /nfs/dbraw/zinc/10/99/82/571109982.db2.gz MLMDUSBZYXNXPW-UHFFFAOYSA-N 1 0 360.383 3.944 50 5 FHBARO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000016419951 571186322 /nfs/dbraw/zinc/18/63/22/571186322.db2.gz SKJIQOUNUXWLKI-GFCCVEGCSA-N 1 0 356.357 3.977 50 5 FHBARO O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000048523605 571308678 /nfs/dbraw/zinc/30/86/78/571308678.db2.gz GMICFTYPIZGUMU-UHFFFAOYSA-N 1 0 372.404 3.768 50 5 FHBARO O=[N+]([O-])c1cccnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020405587 571329229 /nfs/dbraw/zinc/32/92/29/571329229.db2.gz TXJWXRHOZQEWFW-UHFFFAOYSA-N 1 0 374.444 3.901 50 5 FHBARO COc1ccc(-c2cn3c([n+]2-c2ccc([N+](=O)[O-])cc2)SCCC3)cc1 ZINC000002597988 571339200 /nfs/dbraw/zinc/33/92/00/571339200.db2.gz XDJHLJZXWJZINC-UHFFFAOYSA-N 1 0 368.438 3.844 50 5 FHBARO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003242110 571346016 /nfs/dbraw/zinc/34/60/16/571346016.db2.gz NGNWVTFSIVBMEL-GUYCJALGSA-N 1 0 359.451 3.612 50 5 FHBARO COc1cccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000007979726 571358011 /nfs/dbraw/zinc/35/80/11/571358011.db2.gz KFVZVVMJHAWIDL-IBGZPJMESA-N 1 0 357.410 3.521 50 5 FHBARO COc1c2c(cc3c1[C@H](CC(=O)c1cc(C)oc1C)[N+](C)(C)CC3)OCO2 ZINC000001280003 209388005 /nfs/dbraw/zinc/38/80/05/209388005.db2.gz UFUBKFVNEICFQS-INIZCTEOSA-N 1 0 372.441 3.580 50 5 biogenic FHBARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000043331605 209280313 /nfs/dbraw/zinc/28/03/13/209280313.db2.gz UHEZHUMEQODNOC-ZDUSSCGKSA-N 1 0 368.846 3.734 50 5 FHBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc(-c4ccco4)n[nH]3)CC2)cc1 ZINC000005626278 207109057 /nfs/dbraw/zinc/10/90/57/207109057.db2.gz CFCVBBJADQECQD-UHFFFAOYSA-N 1 0 352.394 3.958 50 5 FHBARO CCCC[N@H+](CC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000009608905 207279015 /nfs/dbraw/zinc/27/90/15/207279015.db2.gz RNIJDEMKKUITHG-UHFFFAOYSA-N 1 0 367.449 3.710 50 5 FHBARO COC(=O)CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000095997169 209094752 /nfs/dbraw/zinc/09/47/52/209094752.db2.gz NSMVDZRZEBPNSF-SFHVURJKSA-N 1 0 356.422 3.557 50 5 FHBARO C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC000095940912 209087361 /nfs/dbraw/zinc/08/73/61/209087361.db2.gz BVIOMUVJWPEUKZ-GFCCVEGCSA-N 1 0 371.865 3.983 50 5 FHBARO C[N+](C)(C)CCO[C@H](c1ccccc1)c1ccc(OCCCCO)cc1 ZINC000001753752 571168011 /nfs/dbraw/zinc/16/80/11/571168011.db2.gz UIFMUJPBJALQRY-JOCHJYFZSA-N 1 0 358.502 3.650 50 5 FHBARO O=[N+]([O-])c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000016694749 571212681 /nfs/dbraw/zinc/21/26/81/571212681.db2.gz BTUYHCJTDWDRIS-UHFFFAOYSA-N 1 0 368.433 3.916 50 5 FHBARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000022474508 571336911 /nfs/dbraw/zinc/33/69/11/571336911.db2.gz QMVCCKQLVDCXDO-HNNXBMFYSA-N 1 0 360.439 3.615 50 5 FHBARO COc1ccc(-[n+]2cc(-c3ccc([N+](=O)[O-])cc3)n3c2SCCC3)cc1 ZINC000002921879 571341769 /nfs/dbraw/zinc/34/17/69/571341769.db2.gz UKEPZZHYYOKVOE-UHFFFAOYSA-N 1 0 368.438 3.844 50 5 FHBARO CC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000003830916 571352637 /nfs/dbraw/zinc/35/26/37/571352637.db2.gz MFZWMTSUNYWVBU-UHFFFAOYSA-N 1 0 356.491 3.661 50 5 world FHBARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015499677 211131187 /nfs/dbraw/zinc/13/11/87/211131187.db2.gz FJICUNWXAQWRGP-UONOGXRCSA-N 1 0 357.410 3.590 50 5 FHBARO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccc(OCCCCO)cc1 ZINC000001753751 210370435 /nfs/dbraw/zinc/37/04/35/210370435.db2.gz UIFMUJPBJALQRY-QFIPXVFZSA-N 1 0 358.502 3.650 50 5 FHBARO C[N@@H+]1CCCC12CCN(c1c(F)cc([N+](=O)[O-])cc1Br)CC2 ZINC000095460531 132211354 /nfs/dbraw/zinc/21/13/54/132211354.db2.gz VXRZYZFKWKCTMQ-UHFFFAOYSA-N 1 0 372.238 3.561 50 5 FHBARO CC(C)(C)[C@H]([NH2+]CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1 ZINC000048365728 570951981 /nfs/dbraw/zinc/95/19/81/570951981.db2.gz WKFROVYKTXUVTE-OAHLLOKOSA-N 1 0 373.434 3.587 50 5 FHBARO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000010281758 571125010 /nfs/dbraw/zinc/12/50/10/571125010.db2.gz XEXJYHYHHZACRG-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000010456497 571127161 /nfs/dbraw/zinc/12/71/61/571127161.db2.gz ZYVOMVJKRGFSRI-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036389751 571252438 /nfs/dbraw/zinc/25/24/38/571252438.db2.gz VYYBAEJENLPVFA-MJGOQNOKSA-N 1 0 366.421 3.743 50 5 FHBARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000022474506 220386978 /nfs/dbraw/zinc/38/69/78/220386978.db2.gz QMVCCKQLVDCXDO-OAHLLOKOSA-N 1 0 360.439 3.615 50 5 FHBARO CCC[N+](C)(C)CCO[P@](=O)(c1ccccc1)C1(O)CCCCC1 ZINC000003145205 570776765 /nfs/dbraw/zinc/77/67/65/570776765.db2.gz FRZYYVLLJFQMRM-XMMPIXPASA-N 1 0 354.451 3.746 50 5 FHBARO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000048311096 570943895 /nfs/dbraw/zinc/94/38/95/570943895.db2.gz LFAWQTRMVYYRHK-VAWYXSNFSA-N 1 0 359.470 3.579 50 5 FHBARO COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(C)CC1)[N+](C)(C)CC3)OCO2 ZINC000001280140 571046276 /nfs/dbraw/zinc/04/62/76/571046276.db2.gz MDSVNSMYCYAUEF-RDJZCZTQSA-N 1 0 372.485 3.803 50 5 biogenic FHBARO COc1ccc(-[n+]2c(-c3ccc([N+](=O)[O-])cc3)cn3c2SCCC3)cc1 ZINC000026505802 571308498 /nfs/dbraw/zinc/30/84/98/571308498.db2.gz FCIZPZJLHVEYKG-UHFFFAOYSA-N 1 0 368.438 3.844 50 5 FHBARO CC[N@@H+]1CCC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000058050978 571347403 /nfs/dbraw/zinc/34/74/03/571347403.db2.gz SMNAQQYTIWKMEQ-MRXNPFEDSA-N 1 0 367.449 3.970 50 5 FHBARO Cc1sc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000058412327 212009731 /nfs/dbraw/zinc/00/97/31/212009731.db2.gz OMVGBAUXIHRYTI-UHFFFAOYSA-N 1 0 374.466 3.723 50 5 FHBARO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccc(Cl)cc1Cl)OCO2 ZINC000019642803 211243395 /nfs/dbraw/zinc/24/33/95/211243395.db2.gz XCUSOQJFTCJZLA-UHFFFAOYSA-N 1 0 369.204 3.963 50 5 FHBARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015499671 211130731 /nfs/dbraw/zinc/13/07/31/211130731.db2.gz FJICUNWXAQWRGP-KGLIPLIRSA-N 1 0 357.410 3.590 50 5 FHBARO CC[N+](C)(CC)CCCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000001757289 210369484 /nfs/dbraw/zinc/36/94/84/210369484.db2.gz HYOGOHCWSSHCPS-QFIPXVFZSA-N 1 0 362.534 3.874 50 5 FHBARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001188111 210331932 /nfs/dbraw/zinc/33/19/32/210331932.db2.gz KIXLUYDEDWEOON-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO CCCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@@H]13 ZINC000009329248 571105067 /nfs/dbraw/zinc/10/50/67/571105067.db2.gz IPNLZZRAUONHGJ-XUHPIZGLSA-N 1 0 364.550 3.778 50 5 FHBARO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070011592 571107541 /nfs/dbraw/zinc/10/75/41/571107541.db2.gz YKWAWISWKFNXBH-HXUWFJFHSA-N 1 0 359.470 3.598 50 5 FHBARO COc1ccc2nc3c4c(ccc3[N+](=O)[O-])n(CCC[NH+](C)C)[nH]c4c2c1 ZINC000003778885 571121097 /nfs/dbraw/zinc/12/10/97/571121097.db2.gz HZCWPKGYTCJSEB-UHFFFAOYSA-N 1 0 367.409 3.539 50 5 investigational FHBARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000004679251 571158971 /nfs/dbraw/zinc/15/89/71/571158971.db2.gz YIOCAPFXXDWLOF-UHFFFAOYSA-N 1 0 352.394 3.717 50 5 FHBARO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccs3)CC2)c2ccncc21 ZINC000012636881 571322565 /nfs/dbraw/zinc/32/25/65/571322565.db2.gz OXEFCPBGGBNNSA-UHFFFAOYSA-N 1 0 354.435 3.527 50 5 FHBARO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000010456724 210370950 /nfs/dbraw/zinc/37/09/50/210370950.db2.gz PTKRGAGJQKBAPY-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000040157796 571088014 /nfs/dbraw/zinc/08/80/14/571088014.db2.gz HHANRPGNKNSKBD-QGZVFWFLSA-N 1 0 353.422 3.722 50 5 FHBARO COC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000022804101 571308311 /nfs/dbraw/zinc/30/83/11/571308311.db2.gz UKTRMBBCRJAGOW-QGZVFWFLSA-N 1 0 373.409 3.614 50 5 FHBARO CSc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000002760495 571340814 /nfs/dbraw/zinc/34/08/14/571340814.db2.gz PBQGEIUWSBTDQG-UHFFFAOYSA-N 1 0 357.479 3.635 50 5 FHBARO CC(C)(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 ZINC000000753780 219318132 /nfs/dbraw/zinc/31/81/32/219318132.db2.gz FMEUATDWKJMGPJ-SFHVURJKSA-N 1 0 358.438 3.635 50 5 FHBARO Cc1c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000059887178 212018961 /nfs/dbraw/zinc/01/89/61/212018961.db2.gz QWIFUSHWUAYZNV-UHFFFAOYSA-N 1 0 359.470 3.631 50 5 FHBARO COc1cc(C[NH2+]CCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000019720969 211252111 /nfs/dbraw/zinc/25/21/11/211252111.db2.gz GUDUWOPYOORIGV-UHFFFAOYSA-N 1 0 350.802 3.598 50 5 FHBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019873931 211260620 /nfs/dbraw/zinc/26/06/20/211260620.db2.gz QFZZCHYWHWUPFF-QGZVFWFLSA-N 1 0 357.797 3.973 50 5 FHBARO CC[C@]12CCC[N@+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000252441040 523632867 /nfs/dbraw/zinc/63/28/67/523632867.db2.gz BYDKBTXPTYHQQH-KELBGUDLSA-O 1 0 367.513 3.980 50 5 FHBARO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004999102 570573247 /nfs/dbraw/zinc/57/32/47/570573247.db2.gz REVBLPLNPVYIBU-UHFFFAOYSA-N 1 0 370.478 3.546 50 5 FHBARO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c2ncccc12 ZINC000048253377 570940086 /nfs/dbraw/zinc/94/00/86/570940086.db2.gz IWBDBXDFVBBVCF-UHFFFAOYSA-N 1 0 363.421 3.615 50 5 FHBARO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cc1ccccc1 ZINC000012562954 571183114 /nfs/dbraw/zinc/18/31/14/571183114.db2.gz SOOOUFFCIOCGJI-INIZCTEOSA-N 1 0 350.422 3.728 50 5 FHBARO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004054419 571354492 /nfs/dbraw/zinc/35/44/92/571354492.db2.gz ATECHEQIQHWYGZ-UHFFFAOYSA-N 1 0 356.382 3.580 50 5 FHBARO COc1cc(C(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000004122128 571355820 /nfs/dbraw/zinc/35/58/20/571355820.db2.gz VDDIPDGXPRLPQT-QGZVFWFLSA-N 1 0 354.406 3.666 50 5 FHBARO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC ZINC000000640266 210148435 /nfs/dbraw/zinc/14/84/35/210148435.db2.gz RVBHVIRGZXRPRX-SFHVURJKSA-N 1 0 372.485 3.637 50 5 in-vitro FHBARO COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325252 220064106 /nfs/dbraw/zinc/06/41/06/220064106.db2.gz ZBCANZQDZFIXAZ-UHFFFAOYSA-N 1 0 370.409 3.843 50 5 FHBARO COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)c1OC ZINC000252441465 525762719 /nfs/dbraw/zinc/76/27/19/525762719.db2.gz WVJHZWSGUPUPNC-NQKYMUPYSA-N 1 0 374.501 3.669 50 5 FHBARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000032912706 570852528 /nfs/dbraw/zinc/85/25/28/570852528.db2.gz AVJULIHUGJERBS-UHFFFAOYSA-N 1 0 368.437 3.643 50 5 FHBARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000027387094 571289315 /nfs/dbraw/zinc/28/93/15/571289315.db2.gz PKGSXSOSOVNWMM-UHFFFAOYSA-N 1 0 367.449 3.560 50 5 FHBARO C[NH+](C)CC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000095981269 571333405 /nfs/dbraw/zinc/33/34/05/571333405.db2.gz SCIQYSOWLVNODG-GFCCVEGCSA-N 1 0 354.838 3.586 50 5 FHBARO O=C(C[n+]1c(-c2ccccc2)cn2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000003210617 571345535 /nfs/dbraw/zinc/34/55/35/571345535.db2.gz OLNZQPCZIYDLIN-UHFFFAOYSA-N 1 0 364.406 3.746 50 5 FHBARO CCc1cc(NC[C@@H]2CCC[N@@H+](CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060333552 212020265 /nfs/dbraw/zinc/02/02/65/212020265.db2.gz XQPKNPAINHDUMJ-HNNXBMFYSA-N 1 0 369.469 3.758 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000010456630 210371406 /nfs/dbraw/zinc/37/14/06/210371406.db2.gz RZRWUQZDMMYDBH-UHFFFAOYSA-N 1 0 353.422 3.511 50 5 FHBARO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000058157466 221099714 /nfs/dbraw/zinc/09/97/14/221099714.db2.gz VSAIVBLXPSOLNW-UHFFFAOYSA-N 1 0 371.462 3.704 50 5 FHBARO O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055208222 136126203 /nfs/dbraw/zinc/12/62/03/136126203.db2.gz QIBVRMSHSNEASG-UHFFFAOYSA-N 1 0 366.465 3.517 50 5 FHBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252444225 526213080 /nfs/dbraw/zinc/21/30/80/526213080.db2.gz VYYBAEJENLPVFA-IEBWSBKVSA-N 1 0 366.421 3.743 50 5 FHBARO CC1(C)CC(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)[NH2+]1 ZINC000010813570 570938288 /nfs/dbraw/zinc/93/82/88/570938288.db2.gz VRRQFKRZGNKBMT-UHFFFAOYSA-N 1 0 371.437 3.894 50 5 FHBARO COc1c2c(cc3c1[C@H](CC(=O)CCC=C(C)C)[N+](C)(C)CC3)OCO2 ZINC000001280192 571046401 /nfs/dbraw/zinc/04/64/01/571046401.db2.gz SIGIOYSXQNYYFT-KRWDZBQOSA-N 1 0 360.474 3.803 50 5 biogenic FHBARO COc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)oc3=[NH2+])cc1 ZINC000004656761 571155173 /nfs/dbraw/zinc/15/51/73/571155173.db2.gz KTCLNXMGRDGQLU-UHFFFAOYSA-N 1 0 357.373 3.511 50 5 FHBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 ZINC000004676233 571157042 /nfs/dbraw/zinc/15/70/42/571157042.db2.gz OQATUGFDPCQLBM-UHFFFAOYSA-N 1 0 370.497 3.583 50 5 FHBARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098659 211722777 /nfs/dbraw/zinc/72/27/77/211722777.db2.gz IJRZALBOJWGIOL-GFCCVEGCSA-N 1 0 354.838 3.634 50 5 FHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014094557 211073286 /nfs/dbraw/zinc/07/32/86/211073286.db2.gz VYYBAEJENLPVFA-PKOBYXMFSA-N 1 0 366.421 3.743 50 5 FHBARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000010283405 210869254 /nfs/dbraw/zinc/86/92/54/210869254.db2.gz VVTSTFBKBXEFDX-UHFFFAOYSA-N 1 0 355.438 3.675 50 5 FHBARO COc1ccc(CC[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000001226408 210337358 /nfs/dbraw/zinc/33/73/58/210337358.db2.gz NGGVSRYVZQZRCT-SOFGYWHQSA-N 1 0 356.422 3.800 50 5 FHBARO CC(=O)O[C@@H](CO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 ZINC000002268162 570654739 /nfs/dbraw/zinc/65/47/39/570654739.db2.gz WHHNUCWBERIXGW-YOUFYPILSA-N 1 0 352.539 3.780 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000044958932 570903646 /nfs/dbraw/zinc/90/36/46/570903646.db2.gz YMPDYGYWAWUVGY-UHFFFAOYSA-N 1 0 359.451 3.572 50 5 FHBARO COc1cccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)c1OC ZINC000004678493 571158527 /nfs/dbraw/zinc/15/85/27/571158527.db2.gz SSCXURBORTVJGK-UHFFFAOYSA-N 1 0 368.393 3.625 50 5 FHBARO COc1ccccc1C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000004749407 571230883 /nfs/dbraw/zinc/23/08/83/571230883.db2.gz KHXASUFFCWMOHH-UHFFFAOYSA-N 1 0 371.437 3.689 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006616580 571237171 /nfs/dbraw/zinc/23/71/71/571237171.db2.gz QKBLQTGQUQSFQN-MRXNPFEDSA-N 1 0 372.450 3.852 50 5 FHBARO Cc1cccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)c1 ZINC000002974653 571343072 /nfs/dbraw/zinc/34/30/72/571343072.db2.gz YJFMICBGVZRDBE-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000003336458 571347651 /nfs/dbraw/zinc/34/76/51/571347651.db2.gz LGNBOBAWYFIJDQ-UHFFFAOYSA-N 1 0 351.472 3.575 50 5 FHBARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031097291 571350792 /nfs/dbraw/zinc/35/07/92/571350792.db2.gz KBUJWCVMYMSYAB-INIZCTEOSA-N 1 0 362.455 3.861 50 5 FHBARO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000008126846 571359229 /nfs/dbraw/zinc/35/92/29/571359229.db2.gz WGFVAOMOJZYMPY-GOSISDBHSA-N 1 0 369.421 3.551 50 5 FHBARO CCC[N+](C)(C)CCO[P@@](=O)(c1ccccc1)C1(O)CCCCC1 ZINC000003145204 570776843 /nfs/dbraw/zinc/77/68/43/570776843.db2.gz FRZYYVLLJFQMRM-DEOSSOPVSA-N 1 0 354.451 3.746 50 5 FHBARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000010281355 571124607 /nfs/dbraw/zinc/12/46/07/571124607.db2.gz KCBUZAXTPWKSKP-UHFFFAOYSA-N 1 0 353.422 3.511 50 5 FHBARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C2CCCCC2)cc1[N+](=O)[O-] ZINC000002573109 571339115 /nfs/dbraw/zinc/33/91/15/571339115.db2.gz QNXYMNIWMAGFBL-MRXNPFEDSA-N 1 0 350.459 3.770 50 5 FHBARO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003224703 571345653 /nfs/dbraw/zinc/34/56/53/571345653.db2.gz MQWQYQWCYUSRKW-DYVFJYSZSA-N 1 0 359.451 3.612 50 5 FHBARO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003242111 571346025 /nfs/dbraw/zinc/34/60/25/571346025.db2.gz NGNWVTFSIVBMEL-DYVFJYSZSA-N 1 0 359.451 3.612 50 5 FHBARO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12 ZINC000003793347 219525381 /nfs/dbraw/zinc/52/53/81/219525381.db2.gz YPFIYPNOWVPAPR-OAHLLOKOSA-N 1 0 351.410 3.851 50 5 in-vitro FHBARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012979963 220048642 /nfs/dbraw/zinc/04/86/42/220048642.db2.gz GMLYCKIQBBWGLR-SFHVURJKSA-N 1 0 354.410 3.553 50 5 FHBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 ZINC000004499250 570799419 /nfs/dbraw/zinc/79/94/19/570799419.db2.gz MDKRJVYHNBQWOY-UHFFFAOYSA-N 1 0 360.845 3.612 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004553984 570833774 /nfs/dbraw/zinc/83/37/74/570833774.db2.gz VZIVTXWHRMLXJB-MRXNPFEDSA-N 1 0 372.450 3.852 50 5 FHBARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072308337 571066036 /nfs/dbraw/zinc/06/60/36/571066036.db2.gz HNXXWYBHOKWZDK-UTKZUKDTSA-N 1 0 353.466 3.937 50 5 FHBARO O=[N+]([O-])c1ccccc1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000004744589 571230257 /nfs/dbraw/zinc/23/02/57/571230257.db2.gz CEASBSABHOIRQB-UHFFFAOYSA-N 1 0 351.450 3.618 50 5 FHBARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000027584200 571318063 /nfs/dbraw/zinc/31/80/63/571318063.db2.gz GRTKFDRLEYGNTC-INIZCTEOSA-N 1 0 359.451 3.613 50 5 FHBARO Cc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 ZINC000002966512 571342980 /nfs/dbraw/zinc/34/29/80/571342980.db2.gz UWWKANOWDBYTTE-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO COc1c2c(cc3c1[C@@H](n1ccc4ccccc41)[N+](C)(C)CC3)OCO2 ZINC000001322986 219394814 /nfs/dbraw/zinc/39/48/14/219394814.db2.gz AVWKMIVOJIJOPU-NRFANRHFSA-N 1 0 351.426 3.558 50 5 biogenic FHBARO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280370 571046287 /nfs/dbraw/zinc/04/62/87/571046287.db2.gz FGTWCHUCCKFGNU-MRXNPFEDSA-N 1 0 372.416 3.510 50 5 biogenic FHBARO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000039985765 571066955 /nfs/dbraw/zinc/06/69/55/571066955.db2.gz FXBNNKQGSWYLDF-UHFFFAOYSA-N 1 0 356.426 3.758 50 5 FHBARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075105834 571154991 /nfs/dbraw/zinc/15/49/91/571154991.db2.gz PRAVEMPIGJILRJ-QAPCUYQASA-N 1 0 367.449 3.602 50 5 FHBARO CCC[NH+](CCC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000006323814 571180597 /nfs/dbraw/zinc/18/05/97/571180597.db2.gz YZNAYLKNCCKTJV-UHFFFAOYSA-N 1 0 367.449 3.710 50 5 FHBARO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000012594949 571187930 /nfs/dbraw/zinc/18/79/30/571187930.db2.gz IXQOKRRVUYXBMM-UHFFFAOYSA-N 1 0 362.433 3.774 50 5 FHBARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031097293 571350799 /nfs/dbraw/zinc/35/07/99/571350799.db2.gz KBUJWCVMYMSYAB-MRXNPFEDSA-N 1 0 362.455 3.861 50 5 FHBARO C[C@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000004315086 219564844 /nfs/dbraw/zinc/56/48/44/219564844.db2.gz QWOQVNXEIJUWGW-APPDUMDISA-N 1 0 361.785 3.514 50 5 FHBARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012793250 220030559 /nfs/dbraw/zinc/03/05/59/220030559.db2.gz RUROBHVXVYVHBR-OAHLLOKOSA-N 1 0 360.439 3.615 50 5 FHBARO CCCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@H]13 ZINC000013370962 220065842 /nfs/dbraw/zinc/06/58/42/220065842.db2.gz IPNLZZRAUONHGJ-XNAIKIDQSA-N 1 0 364.550 3.778 50 5 FHBARO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000107072096 222390950 /nfs/dbraw/zinc/39/09/50/222390950.db2.gz PRAVEMPIGJILRJ-CRAIPNDOSA-N 1 0 367.449 3.602 50 5 FHBARO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCCCC1 ZINC000069978854 571107055 /nfs/dbraw/zinc/10/70/55/571107055.db2.gz SUWJVIHADGNKNK-UHFFFAOYSA-N 1 0 374.485 3.507 50 5 FHBARO CCC[n+]1c2scc(-c3ccc([N+](=O)[O-])cc3)n2c2ccccc2c1=O ZINC000001636097 571161465 /nfs/dbraw/zinc/16/14/65/571161465.db2.gz OFZSVARGHJSEBQ-UHFFFAOYSA-N 1 0 366.422 3.787 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000007447511 571265775 /nfs/dbraw/zinc/26/57/75/571265775.db2.gz RVTATNFGHOHNIT-UHFFFAOYSA-N 1 0 353.422 3.511 50 5 FHBARO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000048362154 221010503 /nfs/dbraw/zinc/01/05/03/221010503.db2.gz NAFWMYVXYNWRNX-IBGZPJMESA-N 1 0 353.422 3.703 50 5 FHBARO Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000058157555 221099282 /nfs/dbraw/zinc/09/92/82/221099282.db2.gz UWXXGAONSUVOSY-SFHVURJKSA-N 1 0 356.426 3.636 50 5 FHBARO COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(C)CC1)[N+](C)(C)CC3)OCO2 ZINC000001280141 571046267 /nfs/dbraw/zinc/04/62/67/571046267.db2.gz MDSVNSMYCYAUEF-NVXWUHKLSA-N 1 0 372.485 3.803 50 5 biogenic FHBARO CC[N@@H+]1CCC[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000040157795 571088049 /nfs/dbraw/zinc/08/80/49/571088049.db2.gz HHANRPGNKNSKBD-KRWDZBQOSA-N 1 0 353.422 3.722 50 5 FHBARO CC[N+](C)(CC)CCCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001757287 571191623 /nfs/dbraw/zinc/19/16/23/571191623.db2.gz HYOGOHCWSSHCPS-JOCHJYFZSA-N 1 0 362.534 3.874 50 5 FHBARO CC1(C)CC(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)CC(C)(C)[NH2+]1 ZINC000006787755 571246541 /nfs/dbraw/zinc/24/65/41/571246541.db2.gz ZPQWQTRZIMVLSD-UHFFFAOYSA-N 1 0 370.906 3.844 50 5 FHBARO CC[NH+](CC)CCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 ZINC000002191366 571283295 /nfs/dbraw/zinc/28/32/95/571283295.db2.gz GRXHSPDYFQLEAA-UHFFFAOYSA-N 1 0 356.382 3.953 50 5 FHBARO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC000029483528 571342519 /nfs/dbraw/zinc/34/25/19/571342519.db2.gz FDXUUHOVEBXYSL-KRWDZBQOSA-N 1 0 359.813 3.806 50 5 FHBARO CCCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@H]2[C@H](C)CC[C@@H]13 ZINC000004073599 219538722 /nfs/dbraw/zinc/53/87/22/219538722.db2.gz IPNLZZRAUONHGJ-RVXFQSDISA-N 1 0 364.550 3.778 50 5 biogenic FHBARO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cc1ccccc1 ZINC000012562952 220008449 /nfs/dbraw/zinc/00/84/49/220008449.db2.gz SOOOUFFCIOCGJI-MRXNPFEDSA-N 1 0 350.422 3.728 50 5 FHBARO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012800366 220031224 /nfs/dbraw/zinc/03/12/24/220031224.db2.gz JOLCDQWXSMQKRF-KXBFYZLASA-N 1 0 368.437 3.942 50 5 FHBARO Cc1nc(-c2cccc3c(=O)c4ccccc4[nH]c23)n(-c2cc[nH+]c(C)c2)n1 ZINC000067973997 221310623 /nfs/dbraw/zinc/31/06/23/221310623.db2.gz CDXLHTQYLOAXQQ-UHFFFAOYSA-N 1 0 367.412 3.941 50 5 FHBARO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000055542847 136126872 /nfs/dbraw/zinc/12/68/72/136126872.db2.gz MAEUDJDYWWOLGR-UHFFFAOYSA-N 1 0 365.355 3.936 50 5 FHBARO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000024208845 570624658 /nfs/dbraw/zinc/62/46/58/570624658.db2.gz ZGXZTHGAJHIPGM-UHFFFAOYSA-N 1 0 365.437 3.669 50 5 FHBARO Cc1ccc([C@@H](C[NH+]2CCCCC2)OC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000001886355 570653390 /nfs/dbraw/zinc/65/33/90/570653390.db2.gz JICCCZYAKPOHLQ-LJQANCHMSA-N 1 0 369.421 3.682 50 5 FHBARO COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(C)CC1)[N+](C)(C)CC3)OCO2 ZINC000001280142 571046310 /nfs/dbraw/zinc/04/63/10/571046310.db2.gz MDSVNSMYCYAUEF-DOTOQJQBSA-N 1 0 372.485 3.803 50 5 biogenic FHBARO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(C=Cc4ccccc43)CC1)OCO2 ZINC000004983948 571072913 /nfs/dbraw/zinc/07/29/13/571072913.db2.gz IBTKZJADASPGPF-UHFFFAOYSA-N 1 0 364.401 3.884 50 5 FHBARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC000040098650 571076179 /nfs/dbraw/zinc/07/61/79/571076179.db2.gz KWIDRSJHTNAYCL-CQSZACIVSA-N 1 0 368.846 3.734 50 5 FHBARO CCCCC[N+](C)(C)C[C@@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@H]13 ZINC000009329251 571105153 /nfs/dbraw/zinc/10/51/53/571105153.db2.gz IPNLZZRAUONHGJ-VCJIBENYSA-N 1 0 364.550 3.778 50 5 FHBARO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC000095940911 571332332 /nfs/dbraw/zinc/33/23/32/571332332.db2.gz BVIOMUVJWPEUKZ-LBPRGKRZSA-N 1 0 371.865 3.983 50 5 FHBARO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029871576 571343663 /nfs/dbraw/zinc/34/36/63/571343663.db2.gz XCUSHSOMKQQCPT-UHFFFAOYSA-N 1 0 362.433 3.774 50 5 FHBARO CC(C)(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1 ZINC000000753782 219318408 /nfs/dbraw/zinc/31/84/08/219318408.db2.gz FMEUATDWKJMGPJ-GOSISDBHSA-N 1 0 358.438 3.635 50 5 FHBARO COC(=O)c1ccc(C[N+]2(C[C@@H]3COC4(CCCCC4)O3)CCCC2)cc1 ZINC000000778754 219319010 /nfs/dbraw/zinc/31/90/10/219319010.db2.gz ADOYJUZVHCBHKD-HXUWFJFHSA-N 1 0 374.501 3.660 50 5 FHBARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012791902 220030494 /nfs/dbraw/zinc/03/04/94/220030494.db2.gz PDMJGYBPVACDRE-UHFFFAOYSA-N 1 0 373.840 3.774 50 5 FHBARO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012800338 220031111 /nfs/dbraw/zinc/03/11/11/220031111.db2.gz JOLCDQWXSMQKRF-DNVCBOLYSA-N 1 0 368.437 3.942 50 5 FHBARO CC[C@]12CCC[N@@+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]23 ZINC000252441039 523633982 /nfs/dbraw/zinc/63/39/82/523633982.db2.gz BYDKBTXPTYHQQH-FVEXOFTDSA-O 1 0 367.513 3.980 50 5 FHBARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000252669443 525008339 /nfs/dbraw/zinc/00/83/39/525008339.db2.gz HNXXWYBHOKWZDK-DYESRHJHSA-N 1 0 353.466 3.937 50 5 FHBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004553982 570833500 /nfs/dbraw/zinc/83/35/00/570833500.db2.gz VZIVTXWHRMLXJB-INIZCTEOSA-N 1 0 372.450 3.852 50 5 FHBARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032902449 570838677 /nfs/dbraw/zinc/83/86/77/570838677.db2.gz HIEWJUYUOSAYDQ-FBRRREGBSA-N 1 0 367.449 3.807 50 5 FHBARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000032902447 570838743 /nfs/dbraw/zinc/83/87/43/570838743.db2.gz GSPLHJIJILZLGO-DAMWEWLOSA-N 1 0 367.449 3.807 50 5 FHBARO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072294899 571053206 /nfs/dbraw/zinc/05/32/06/571053206.db2.gz AYRWGVGYSPOXGD-UHFFFAOYSA-N 1 0 371.437 3.794 50 5 FHBARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000010456425 571127155 /nfs/dbraw/zinc/12/71/55/571127155.db2.gz OZMCDAVRNMNYQY-UHFFFAOYSA-N 1 0 367.449 3.819 50 5 FHBARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001909467 571200188 /nfs/dbraw/zinc/20/01/88/571200188.db2.gz VQPOBAZPXPIIMO-NRFANRHFSA-N 1 0 366.441 3.554 50 5 FHBARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001909465 571200232 /nfs/dbraw/zinc/20/02/32/571200232.db2.gz VQPOBAZPXPIIMO-OAQYLSRUSA-N 1 0 366.441 3.554 50 5 FHBARO Cc1ccc(C[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000033293759 571231302 /nfs/dbraw/zinc/23/13/02/571231302.db2.gz VUEYKGZLKOPPTN-UHFFFAOYSA-N 1 0 368.462 3.835 50 5 FHBARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007686654 571285808 /nfs/dbraw/zinc/28/58/08/571285808.db2.gz XSPRVSVQVIPCHP-SFHVURJKSA-N 1 0 373.840 3.815 50 5 FHBARO COc1ccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000008050744 571358685 /nfs/dbraw/zinc/35/86/85/571358685.db2.gz LRTCQZXICPZZMG-IBGZPJMESA-N 1 0 357.410 3.521 50 5 FHBARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000098003951 941325828 /nfs/dbraw/zinc/32/58/28/941325828.db2.gz HIEWJUYUOSAYDQ-ODLZTCLXSA-N 1 0 367.449 3.807 50 5 FHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014094558 220106621 /nfs/dbraw/zinc/10/66/21/220106621.db2.gz VYYBAEJENLPVFA-HKUYNNGSSA-N 1 0 366.421 3.743 50 5 FHBARO O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017249750 220212406 /nfs/dbraw/zinc/21/24/06/220212406.db2.gz JQKCDVNSMLHTAN-UHFFFAOYSA-N 1 0 354.817 3.999 50 5 FHBARO CCc1cc(NC[C@H]2CCC[N@@H+](CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060333553 221129404 /nfs/dbraw/zinc/12/94/04/221129404.db2.gz XQPKNPAINHDUMJ-OAHLLOKOSA-N 1 0 369.469 3.758 50 5 FHBARO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1[O-] ZINC000058339725 221115045 /nfs/dbraw/zinc/11/50/45/221115045.db2.gz NQODZCKDLTYPSA-UHFFFAOYSA-N 1 0 355.438 3.576 50 5 FHBARO O=[N+]([O-])c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000071816926 221379210 /nfs/dbraw/zinc/37/92/10/221379210.db2.gz MDMFNFYRMCPRIU-UHFFFAOYSA-N 1 0 362.430 3.595 50 5 FHBARO O=[N+]([O-])c1ccc(N2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000004051288 132386245 /nfs/dbraw/zinc/38/62/45/132386245.db2.gz QBWNQQLMOFYOIJ-UHFFFAOYSA-N 1 0 362.433 3.718 50 5 FHBARO CN1/C(=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2CC1(C)C ZINC000100707898 222250092 /nfs/dbraw/zinc/25/00/92/222250092.db2.gz YCMLAANXRPQMBV-LDADJPATSA-N 1 0 351.406 3.841 50 5 FHBARO CCOC(=O)c1cnc2c3ccccc3ccc2c1N1CC[NH+](CC)CC1 ZINC000000940241 535712930 /nfs/dbraw/zinc/71/29/30/535712930.db2.gz DKCKEVDHZVLXIG-UHFFFAOYSA-N 1 0 363.461 3.707 50 5 FHBARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000032902446 568413933 /nfs/dbraw/zinc/41/39/33/568413933.db2.gz GSPLHJIJILZLGO-JWHUVLAVSA-N 1 0 367.449 3.807 50 5 FHBARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000004385519 570766159 /nfs/dbraw/zinc/76/61/59/570766159.db2.gz QQLCUDHNTKPNQS-UHFFFAOYSA-N 1 0 370.384 3.856 50 5 FHBARO COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C)oc1C)[N+](C)(C)CC3)OCO2 ZINC000001280004 571045872 /nfs/dbraw/zinc/04/58/72/571045872.db2.gz UFUBKFVNEICFQS-MRXNPFEDSA-N 1 0 372.441 3.580 50 5 biogenic FHBARO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)cc1)[N+](C)(C)CC3)OCO2 ZINC000001280086 571045979 /nfs/dbraw/zinc/04/59/79/571045979.db2.gz GDIJGHWAEFFUEU-KRWDZBQOSA-N 1 0 368.453 3.679 50 5 biogenic FHBARO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003224705 571176833 /nfs/dbraw/zinc/17/68/33/571176833.db2.gz MQWQYQWCYUSRKW-CXAGYDPISA-N 1 0 359.451 3.612 50 5 FHBARO COC(=O)c1ccc(C[N+]2(C[C@H]3COC4(CCCCC4)O3)CCCC2)cc1 ZINC000004318426 571357976 /nfs/dbraw/zinc/35/79/76/571357976.db2.gz ADOYJUZVHCBHKD-FQEVSTJZSA-N 1 0 374.501 3.660 50 5 FHBARO